From d0f84fd74415e8759ef4d768faa4bd86e5ea97fe Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Wed, 29 Sep 2021 14:16:06 -0400 Subject: [PATCH 001/186] Always provide CJSON to interface scripts to enable selection, etc. Signed-off-by: Geoff Hutchison --- avogadro/qtgui/interfacescript.cpp | 63 ++++++++++++++++-------------- 1 file changed, 34 insertions(+), 29 deletions(-) diff --git a/avogadro/qtgui/interfacescript.cpp b/avogadro/qtgui/interfacescript.cpp index 2a6cd59c13..44e017768d 100644 --- a/avogadro/qtgui/interfacescript.cpp +++ b/avogadro/qtgui/interfacescript.cpp @@ -163,7 +163,8 @@ bool InterfaceScript::runCommand(const QJsonObject& options_, if (!insertMolecule(allOptions, *mol)) return false; - connect(m_interpreter, &PythonScript::finished, this, &::Avogadro::QtGui::InterfaceScript::commandFinished); + connect(m_interpreter, &PythonScript::finished, this, + &::Avogadro::QtGui::InterfaceScript::commandFinished); m_interpreter->asyncExecute(QStringList() << QStringLiteral("--run-command"), QJsonDocument(allOptions).toJson()); return true; @@ -471,18 +472,20 @@ bool InterfaceScript::insertMolecule(QJsonObject& json, if (m_moleculeExtension == QLatin1String("None")) return true; - // insert the selected atoms + // Always insert the selected atoms QJsonArray selectedList; for (Index i = 0; i < mol.atomCount(); ++i) { if (mol.atomSelected(i)) selectedList.append(static_cast(i)); } - json.insert("selectedatoms", selectedList); + json.insert("selectedAtoms", selectedList); Io::FileFormatManager& formats = Io::FileFormatManager::instance(); QScopedPointer format( formats.newFormatFromFileExtension(m_moleculeExtension.toStdString())); + QScopedPointer cjsonFormat(formats.newFormatFromFileExtension("cjson")); + // If we want something *other* than CJSON, check that we can supply that format if (format.isNull()) { m_errors << tr("Error writing molecule representation to string: " "Unrecognized file format: %1") @@ -499,29 +502,31 @@ bool InterfaceScript::insertMolecule(QJsonObject& json, if (m_moleculeExtension != QLatin1String("cjson")) { json.insert(m_moleculeExtension, QJsonValue(QString::fromStdString(str))); - } else { - // If cjson was requested, embed the actual JSON, rather than the string. - QJsonParseError error; - QJsonDocument doc = QJsonDocument::fromJson(str.c_str(), &error); - if (error.error != QJsonParseError::NoError) { - m_errors << tr("Error generating cjson object: Parse error at offset %1: " - "%2\nRaw JSON:\n\n%3") - .arg(error.offset) - .arg(error.errorString()) - .arg(QString::fromStdString(str)); - return false; - } + } - if (!doc.isObject()) { - m_errors << tr("Error generator cjson object: Parsed JSON is not an " - "object:\n%1") - .arg(QString::fromStdString(str)); - return false; - } + // And we *always* write the CJSON representation + // Embed CJSON as actual JSON, rather than a string, so we have to parse it again + cjsonFormat->writeString(str, mol); + QJsonParseError error; + QJsonDocument doc = QJsonDocument::fromJson(str.c_str(), &error); + if (error.error != QJsonParseError::NoError) { + m_errors << tr("Error generating cjson object: Parse error at offset %1: " + "%2\nRaw JSON:\n\n%3") + .arg(error.offset) + .arg(error.errorString()) + .arg(QString::fromStdString(str)); + return false; + } - json.insert(m_moleculeExtension, doc.object()); + if (!doc.isObject()) { + m_errors << tr("Error generator cjson object: Parsed JSON is not an " + "object:\n%1") + .arg(QString::fromStdString(str)); + return false; } + json.insert("cjson", doc.object()); + return true; } @@ -604,7 +609,7 @@ bool InterfaceScript::parseHighlightStyles(const QJsonArray& json) const GenericHighlighter* highlighter( new GenericHighlighter(const_cast(this))); if (!parseRules(rulesArray, *highlighter)) { - qDebug() << "Error parsing style" << styleName << endl + qDebug() << "Error parsing style" << styleName << Qt::endl << QString(QJsonDocument(styleObj).toJson()); highlighter->deleteLater(); result = false; @@ -629,13 +634,13 @@ bool InterfaceScript::parseRules(const QJsonArray& json, QJsonObject ruleObj(ruleVal.toObject()); if (!ruleObj.contains(QStringLiteral("patterns"))) { - qDebug() << "Rule missing 'patterns' array:" << endl + qDebug() << "Rule missing 'patterns' array:" << Qt::endl << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } if (!ruleObj.value(QStringLiteral("patterns")).isArray()) { - qDebug() << "Rule 'patterns' member is not an array:" << endl + qDebug() << "Rule 'patterns' member is not an array:" << Qt::endl << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; @@ -644,13 +649,13 @@ bool InterfaceScript::parseRules(const QJsonArray& json, ruleObj.value(QStringLiteral("patterns")).toArray()); if (!ruleObj.contains(QStringLiteral("format"))) { - qDebug() << "Rule missing 'format' object:" << endl + qDebug() << "Rule missing 'format' object:" << Qt::endl << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } if (!ruleObj.value(QStringLiteral("format")).isObject()) { - qDebug() << "Rule 'format' member is not an object:" << endl + qDebug() << "Rule 'format' member is not an object:" << Qt::endl << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; @@ -662,7 +667,7 @@ bool InterfaceScript::parseRules(const QJsonArray& json, foreach (QJsonValue patternVal, patternsArray) { QRegExp pattern; if (!parsePattern(patternVal, pattern)) { - qDebug() << "Error while parsing pattern:" << endl + qDebug() << "Error while parsing pattern:" << Qt::endl << QString(QJsonDocument(patternVal.toObject()).toJson()); result = false; continue; @@ -672,7 +677,7 @@ bool InterfaceScript::parseRules(const QJsonArray& json, QTextCharFormat format; if (!parseFormat(formatObj, format)) { - qDebug() << "Error while parsing format:" << endl + qDebug() << "Error while parsing format:" << Qt::endl << QString(QJsonDocument(formatObj).toJson()); result = false; } From c6d1ee3cf4592cbe21870f7eb020e0081532021e Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 22 Aug 2023 11:50:32 -0400 Subject: [PATCH 002/186] Add a Chem MessagePack format as a subclass of CJSON Signed-off-by: Geoff Hutchison --- avogadro/io/CMakeLists.txt | 2 ++ avogadro/io/cjsonformat.cpp | 5 ++- avogadro/io/cjsonformat.h | 5 ++- avogadro/io/cmsgpackformat.cpp | 30 ++++++++++++++++++ avogadro/io/cmsgpackformat.h | 58 ++++++++++++++++++++++++++++++++++ 5 files changed, 98 insertions(+), 2 deletions(-) create mode 100644 avogadro/io/cmsgpackformat.cpp create mode 100644 avogadro/io/cmsgpackformat.h diff --git a/avogadro/io/CMakeLists.txt b/avogadro/io/CMakeLists.txt index fde03f9c3d..3afa3ec267 100644 --- a/avogadro/io/CMakeLists.txt +++ b/avogadro/io/CMakeLists.txt @@ -3,6 +3,7 @@ add_library(IO) avogadro_headers(IO cjsonformat.h cmlformat.h + cmsgpackformat.h dcdformat.h fileformat.h fileformatmanager.h @@ -19,6 +20,7 @@ avogadro_headers(IO target_sources(IO PRIVATE cjsonformat.cpp cmlformat.cpp + cmsgpackformat.cpp dcdformat.cpp fileformat.cpp fileformatmanager.cpp diff --git a/avogadro/io/cjsonformat.cpp b/avogadro/io/cjsonformat.cpp index 715d19ef9c..a3a5b07ca6 100644 --- a/avogadro/io/cjsonformat.cpp +++ b/avogadro/io/cjsonformat.cpp @@ -1043,7 +1043,10 @@ bool CjsonFormat::write(std::ostream& file, const Molecule& molecule) } // Write out the file, use a two space indent to "pretty print". - file << std::setw(2) << root; + if (m_json) + file << std::setw(2) << root; + else // write msgpack + json::to_msgpack(root, file); return true; } diff --git a/avogadro/io/cjsonformat.h b/avogadro/io/cjsonformat.h index 6fbe5f1cf7..556a78204a 100644 --- a/avogadro/io/cjsonformat.h +++ b/avogadro/io/cjsonformat.h @@ -41,7 +41,7 @@ class AVOGADROIO_EXPORT CjsonFormat : public FileFormat std::string specificationUrl() const override { - return "http://wiki.openchemistry.org/Chemical_JSON"; + return "https://github.com/openchemistry/chemicaljson"; } std::vector fileExtensions() const override; @@ -49,6 +49,9 @@ class AVOGADROIO_EXPORT CjsonFormat : public FileFormat bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream& out, const Core::Molecule& molecule) override; + + // write JSON or MessagePack + bool m_json = true; }; } // end Io namespace diff --git a/avogadro/io/cmsgpackformat.cpp b/avogadro/io/cmsgpackformat.cpp new file mode 100644 index 0000000000..c4dcb4861f --- /dev/null +++ b/avogadro/io/cmsgpackformat.cpp @@ -0,0 +1,30 @@ +/****************************************************************************** + This source file is part of the Avogadro project. + This source code is released under the 3-Clause BSD License, (see "LICENSE"). +******************************************************************************/ + +#include "cmsgpackformat.h" + +using namespace std; + +namespace Avogadro::Io { + +CMsgPackFormat::CMsgPackFormat() = default; + +CMsgPackFormat::~CMsgPackFormat() = default; + +vector CMsgPackFormat::fileExtensions() const +{ + vector ext; + ext.emplace_back("cmpk"); + return ext; +} + +vector CMsgPackFormat::mimeTypes() const +{ + vector mime; + mime.emplace_back("chemical/x-cmpack"); + return mime; +} + +} // namespace Avogadro::Io diff --git a/avogadro/io/cmsgpackformat.h b/avogadro/io/cmsgpackformat.h new file mode 100644 index 0000000000..ce92f1d672 --- /dev/null +++ b/avogadro/io/cmsgpackformat.h @@ -0,0 +1,58 @@ +/****************************************************************************** + This source file is part of the Avogadro project. + This source code is released under the 3-Clause BSD License, (see "LICENSE"). +******************************************************************************/ + +#ifndef AVOGADRO_IO_CMSGPACKFORMAT_H +#define AVOGADRO_IO_CMSGPACKFORMAT_H + +#include "fileformat.h" +#include "cjsonformat.h" + +namespace Avogadro { +namespace Core { +class GaussianSet; +} +namespace Io { + +/** + * @class CMsgPackFormat cmsgpackformat.h + * @brief Implementation of the Chemical MessagePack format. + */ + +class AVOGADROIO_EXPORT CMsgPackFormat : public CjsonFormat +{ +public: + CMsgPackFormat(); + ~CMsgPackFormat() override; + + Operations supportedOperations() const override + { + return ReadWrite | File | Stream | String; + } + + FileFormat* newInstance() const override { return new CMsgPackFormat; } + std::string identifier() const override { return "Avogadro: CMsgPack"; } + std::string name() const override { return "Chemical MessagePack"; } + std::string description() const override + { + return "CMsgPack format is a lightweight intermediate format used to exchange " + "information between Avogadro and other data parsing applications"; + } + + std::string specificationUrl() const override + { + return "https://github.com/openchemistry/chemicaljson"; + } + + std::vector fileExtensions() const override; + std::vector mimeTypes() const override; + + // write MessagePack + bool m_json = false; +}; + +} // end Io namespace +} // end Avogadro namespace + +#endif // AVOGADRO_IO_CMSGPACKFORMAT_H From a1e27903f9a4f981ec15d360b659bb697e17bbac Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Thu, 31 Aug 2023 15:41:48 -0400 Subject: [PATCH 003/186] Add support for a MessagePack variant to CJSON Signed-off-by: Geoff Hutchison --- avogadro/io/cjsonformat.cpp | 13 +++++++++++-- avogadro/io/cjsonformat.h | 5 +++-- avogadro/io/cmsgpackformat.cpp | 18 +++++++++++++++++- avogadro/io/cmsgpackformat.h | 3 +++ avogadro/io/fileformatmanager.cpp | 2 ++ 5 files changed, 36 insertions(+), 5 deletions(-) diff --git a/avogadro/io/cjsonformat.cpp b/avogadro/io/cjsonformat.cpp index a3a5b07ca6..c5221250e6 100644 --- a/avogadro/io/cjsonformat.cpp +++ b/avogadro/io/cjsonformat.cpp @@ -80,6 +80,11 @@ bool isBooleanArray(json& j) } bool CjsonFormat::read(std::istream& file, Molecule& molecule) +{ + return deserialize(file, molecule, true); +} + +bool CjsonFormat::deserialize(std::istream& file, Molecule& molecule, bool isJson) { json jsonRoot = json::parse(file, nullptr, false); if (jsonRoot.is_discarded()) { @@ -622,6 +627,11 @@ bool CjsonFormat::read(std::istream& file, Molecule& molecule) } bool CjsonFormat::write(std::ostream& file, const Molecule& molecule) +{ + return serialize(file, molecule, true); +} + +bool CjsonFormat::serialize(std::ostream& file, const Molecule& molecule, bool isJson) { json opts; if (!options().empty()) @@ -1042,8 +1052,7 @@ bool CjsonFormat::write(std::ostream& file, const Molecule& molecule) root["layer"]["settings"][settings.first] = setting; } - // Write out the file, use a two space indent to "pretty print". - if (m_json) + if (isJson) file << std::setw(2) << root; else // write msgpack json::to_msgpack(root, file); diff --git a/avogadro/io/cjsonformat.h b/avogadro/io/cjsonformat.h index 556a78204a..e7e62a6528 100644 --- a/avogadro/io/cjsonformat.h +++ b/avogadro/io/cjsonformat.h @@ -50,8 +50,9 @@ class AVOGADROIO_EXPORT CjsonFormat : public FileFormat bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream& out, const Core::Molecule& molecule) override; - // write JSON or MessagePack - bool m_json = true; + // internal - to allow JSON or MsgPack to be written + bool deserialize(std::istream& in, Core::Molecule& molecule, bool json); + bool serialize(std::ostream& out, const Core::Molecule& molecule, bool json); }; } // end Io namespace diff --git a/avogadro/io/cmsgpackformat.cpp b/avogadro/io/cmsgpackformat.cpp index c4dcb4861f..5474832794 100644 --- a/avogadro/io/cmsgpackformat.cpp +++ b/avogadro/io/cmsgpackformat.cpp @@ -5,11 +5,16 @@ #include "cmsgpackformat.h" +#include + using namespace std; namespace Avogadro::Io { -CMsgPackFormat::CMsgPackFormat() = default; +CMsgPackFormat::CMsgPackFormat(): CjsonFormat() +{ + m_json = false; +} CMsgPackFormat::~CMsgPackFormat() = default; @@ -27,4 +32,15 @@ vector CMsgPackFormat::mimeTypes() const return mime; } + bool CMsgPackFormat::read(std::istream& in, Core::Molecule& molecule) + { + return CjsonFormat::deserialize(in, molecule, false); + } + + bool CMsgPackFormat::write(std::ostream& out, const Core::Molecule& molecule) + { + std::cerr << "CMsgPackFormat::write" << std::endl; + return CjsonFormat::serialize(out, molecule, false); + } + } // namespace Avogadro::Io diff --git a/avogadro/io/cmsgpackformat.h b/avogadro/io/cmsgpackformat.h index ce92f1d672..8a8afca6fd 100644 --- a/avogadro/io/cmsgpackformat.h +++ b/avogadro/io/cmsgpackformat.h @@ -48,6 +48,9 @@ class AVOGADROIO_EXPORT CMsgPackFormat : public CjsonFormat std::vector fileExtensions() const override; std::vector mimeTypes() const override; + bool read(std::istream& in, Core::Molecule& molecule) override; + bool write(std::ostream& out, const Core::Molecule& molecule) override; + // write MessagePack bool m_json = false; }; diff --git a/avogadro/io/fileformatmanager.cpp b/avogadro/io/fileformatmanager.cpp index 1841213ee0..999a9c2c68 100644 --- a/avogadro/io/fileformatmanager.cpp +++ b/avogadro/io/fileformatmanager.cpp @@ -9,6 +9,7 @@ #include "cjsonformat.h" #include "cmlformat.h" +#include "cmsgpackformat.h" #include "dcdformat.h" #include "gromacsformat.h" #include "lammpsformat.h" @@ -284,6 +285,7 @@ FileFormatManager::FileFormatManager() { addFormat(new CmlFormat); addFormat(new CjsonFormat); + addFormat(new CMsgPackFormat); addFormat(new DcdFormat); addFormat(new GromacsFormat); addFormat(new LammpsTrajectoryFormat); From bb70a283bf102a6fecd0e24bc004c3f385e2f4b6 Mon Sep 17 00:00:00 2001 From: Surajjalpun2002 Date: Sun, 15 Oct 2023 11:24:59 +0530 Subject: [PATCH 004/186] Removed !valid from the condition since it always returns false Signed-off-by: Surajjalpun2002 --- avogadro/core/angleiterator.cpp | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/avogadro/core/angleiterator.cpp b/avogadro/core/angleiterator.cpp index 4dedc5a433..7ae09f43a9 100644 --- a/avogadro/core/angleiterator.cpp +++ b/avogadro/core/angleiterator.cpp @@ -44,8 +44,7 @@ Angle AngleIterator::operator++() if (valid) { // we have a valid current angle, try to find a new edge for (const auto maybeC : graph.neighbors(b)) { - if (maybeC != a - && (!valid || maybeC > c)) { + if (maybeC != a && maybeC > c) { m_current = make_tuple(a, b, maybeC); return m_current; } From 60f8b77c979e40d486510c87e935bbec45bc3df4 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 16 Oct 2023 13:34:22 -0400 Subject: [PATCH 005/186] Add initial crystal and space group commands, including fillUnitCell Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/crystal/crystal.cpp | 24 ++++++++++++++++++- avogadro/qtplugins/crystal/crystal.h | 5 ++++ avogadro/qtplugins/spacegroup/spacegroup.cpp | 25 ++++++++++++++++++-- avogadro/qtplugins/spacegroup/spacegroup.h | 5 ++++ 4 files changed, 56 insertions(+), 3 deletions(-) diff --git a/avogadro/qtplugins/crystal/crystal.cpp b/avogadro/qtplugins/crystal/crystal.cpp index 04d25f1bb4..6ecd3db438 100644 --- a/avogadro/qtplugins/crystal/crystal.cpp +++ b/avogadro/qtplugins/crystal/crystal.cpp @@ -170,6 +170,28 @@ void Crystal::importCrystalClipboard() } } +void Crystal::registerCommands() +{ + emit registerCommand("wrapUnitCell", tr("Wrap atoms into the unit cell.")); + emit registerCommand("standardCrystalOrientation", + tr("Rotate the unit cell to the standard orientation.")); +} + +bool Crystal::handleCommand(const QString& command, const QVariantMap& options) +{ + if (m_molecule == nullptr) + return false; // No molecule to handle the command. + + if (command == "wrapUnitCell") { + wrapAtomsToCell(); + return true; + } else if (command == "standardCrystalOrientation") { + standardOrientation(); + return true; + } + return false; +} + void Crystal::editUnitCell() { if (!m_unitCellDialog) { @@ -233,4 +255,4 @@ void Crystal::wrapAtomsToCell() m_molecule->undoMolecule()->wrapAtomsToCell(); } -} // namespace Avogadro +} // namespace Avogadro::QtPlugins diff --git a/avogadro/qtplugins/crystal/crystal.h b/avogadro/qtplugins/crystal/crystal.h index 972ab72ca9..048c7cccf2 100644 --- a/avogadro/qtplugins/crystal/crystal.h +++ b/avogadro/qtplugins/crystal/crystal.h @@ -27,6 +27,11 @@ class Crystal : public Avogadro::QtGui::ExtensionPlugin QList actions() const override; QStringList menuPath(QAction*) const override; + bool handleCommand(const QString& command, + const QVariantMap& options) override; + + void registerCommands() override; + public slots: void setMolecule(QtGui::Molecule* mol) override; diff --git a/avogadro/qtplugins/spacegroup/spacegroup.cpp b/avogadro/qtplugins/spacegroup/spacegroup.cpp index 8a2f3d3e11..f50fa34bf0 100644 --- a/avogadro/qtplugins/spacegroup/spacegroup.cpp +++ b/avogadro/qtplugins/spacegroup/spacegroup.cpp @@ -13,8 +13,9 @@ #include #include -#include #include +#include +#include #include #include #include @@ -104,6 +105,26 @@ QStringList SpaceGroup::menuPath(QAction*) const return QStringList() << tr("&Crystal") << tr("Space Group"); } +void SpaceGroup::registerCommands() +{ + emit registerCommand( + "fillUnitCell", + tr("Fill symmetric atoms based on the crystal space group.")); +} + +bool SpaceGroup::handleCommand(const QString& command, + const QVariantMap& options) +{ + if (m_molecule == nullptr) + return false; // No molecule to handle the command. + + if (command == "fillUnitCell") { + fillUnitCell(); + return true; + } + return false; +} + void SpaceGroup::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) @@ -370,4 +391,4 @@ unsigned short SpaceGroup::selectSpaceGroup() return view->currentIndex().row() + 1; } -} // namespace Avogadro +} // namespace Avogadro::QtPlugins diff --git a/avogadro/qtplugins/spacegroup/spacegroup.h b/avogadro/qtplugins/spacegroup/spacegroup.h index 1875c10ea5..4c3d6a776c 100644 --- a/avogadro/qtplugins/spacegroup/spacegroup.h +++ b/avogadro/qtplugins/spacegroup/spacegroup.h @@ -26,6 +26,11 @@ class SpaceGroup : public Avogadro::QtGui::ExtensionPlugin QList actions() const; QStringList menuPath(QAction*) const; + bool handleCommand(const QString& command, + const QVariantMap& options) override; + + void registerCommands() override; + public slots: void setMolecule(QtGui::Molecule* mol); From 6eaad7e0974eb9a55b9b4f66175fecacc3f26dc7 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 17 Oct 2023 12:37:16 -0400 Subject: [PATCH 006/186] Make sure "fill unit cell" generates copies on the unit cell too Signed-off-by: Geoff Hutchison --- avogadro/core/spacegroups.cpp | 88 +++++++++++++++++++++++++++++++---- 1 file changed, 79 insertions(+), 9 deletions(-) diff --git a/avogadro/core/spacegroups.cpp b/avogadro/core/spacegroups.cpp index bf67444de8..f8a32a23e6 100644 --- a/avogadro/core/spacegroups.cpp +++ b/avogadro/core/spacegroups.cpp @@ -20,13 +20,9 @@ namespace Avogadro::Core { -SpaceGroups::SpaceGroups() -{ -} +SpaceGroups::SpaceGroups() {} -SpaceGroups::~SpaceGroups() -{ -} +SpaceGroups::~SpaceGroups() {} unsigned short SpaceGroups::hallNumber(const std::string& spaceGroup) { @@ -64,7 +60,6 @@ unsigned short SpaceGroups::hallNumber(const std::string& spaceGroup) return hall; // can't find anything } - CrystalSystem SpaceGroups::crystalSystem(unsigned short hallNumber) { if (hallNumber == 1 || hallNumber == 2) @@ -254,7 +249,7 @@ Array SpaceGroups::getTransforms(unsigned short hallNumber, // These transforms are separated by spaces std::vector transforms = split(transformsStr, ' '); - for (auto & transform : transforms) + for (auto& transform : transforms) ret.push_back(getSingleTransform(transform, v)); return ret; @@ -305,7 +300,82 @@ void SpaceGroups::fillUnitCell(Molecule& mol, unsigned short hallNumber, newAtom.setPosition3d(newCandidate); } } + // @todo make this optional CrystalTools::wrapAtomsToUnitCell(mol); + + // Now we need to generate any copies on the unit boundary + // We need to loop through all the atoms again + // if a fractional coordinate contains 0.0, we need to generate a copy + // of the atom at 1.0 + atomicNumbers = mol.atomicNumbers(); + positions = mol.atomPositions3d(); + numAtoms = mol.atomCount(); + for (Index i = 0; i < numAtoms; ++i) { + unsigned char atomicNum = atomicNumbers[i]; + Vector3 pos = uc->toFractional(positions[i]); + + Array newAtoms; + // We need to check each coordinate to see if it is 0.0 or 1.0 + // .. if so, we need to generate the symmetric copy + for (Index j = 0; j < 3; ++j) { + Vector3 newPos = pos; + if (fabs(pos[j]) < 0.001) { + newPos[j] = 1.0; + newAtoms.push_back(newPos); + } + if (fabs(pos[j] - 1.0) < 0.001) { + newPos[j] = 0.0; + newAtoms.push_back(newPos); + } + + for (Index k = j + 1; k < 3; ++k) { + if (fabs(pos[k]) < 0.001) { + newPos[k] = 1.0; + newAtoms.push_back(newPos); + newPos[k] = 0.0; // revert for the other coords + } + if (fabs(pos[k] - 1.0) < 0.001) { + newPos[k] = 0.0; + newAtoms.push_back(newPos); + newPos[k] = 1.0; // revert + } + } + } + // finally, check if all coordinates are 0.0 + if (fabs(pos[0]) < 0.001 && fabs(pos[1]) < 0.001 && fabs(pos[2]) < 0.001) + newAtoms.push_back(Vector3(1.0, 1.0, 1.0)); + // or 1.0 .. unlikely, but possible + if (fabs(pos[0] - 1.0) < 0.001 && fabs(pos[1] - 1.0) < 0.001 && + fabs(pos[2] - 1.0) < 0.001) + newAtoms.push_back(Vector3(0.0, 0.0, 0.0)); + + for (Index j = 0; j < newAtoms.size(); ++j) { + // The new atoms are in fractional coordinates. Convert to cartesian. + Vector3 newCandidate = uc->toCartesian(newAtoms[j]); + + // If there is already an atom in this location within a + // certain tolerance, do not add the atom. + bool atomAlreadyPresent = false; + for (Index k = 0; k < mol.atomCount(); k++) { + // If it does not have the same atomic number, skip over it. + if (mol.atomicNumber(k) != atomicNum) + continue; + + Real distance = (mol.atomPosition3d(k) - newCandidate).norm(); + + if (distance <= cartTol) + atomAlreadyPresent = true; + } + + // If there is already an atom present here, just continue + if (atomAlreadyPresent) + continue; + + // If we got this far, add the atom! + Atom newAtom = mol.addAtom(atomicNum); + newAtom.setPosition3d(newCandidate); + } + } } void SpaceGroups::reduceToAsymmetricUnit(Molecule& mol, @@ -359,4 +429,4 @@ const char* SpaceGroups::transformsString(unsigned short hallNumber) return ""; } -} // end Avogadro namespace +} // namespace Avogadro::Core From d26d3270c2d17fe4756200fa426c73e4e09b14ae Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 17 Oct 2023 12:44:24 -0400 Subject: [PATCH 007/186] Add alignView script command (e.g., for screenshots) Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/resetview/resetview.cpp | 19 +++++++++++++++++++ avogadro/qtplugins/resetview/resetview.h | 5 +++++ 2 files changed, 24 insertions(+) diff --git a/avogadro/qtplugins/resetview/resetview.cpp b/avogadro/qtplugins/resetview/resetview.cpp index 53b48713b3..dfdc869ef4 100644 --- a/avogadro/qtplugins/resetview/resetview.cpp +++ b/avogadro/qtplugins/resetview/resetview.cpp @@ -12,6 +12,7 @@ #include #include #include +#include #include @@ -46,6 +47,24 @@ ResetView::ResetView(QObject* parent_) ResetView::~ResetView() {} +void ResetView::registerCommands() +{ + emit registerCommand("alignView", tr("Align view to axes.")); +} + +bool ResetView::handleCommand(const QString& command, const QVariantMap& options) +{ + if (m_molecule == nullptr || m_camera == nullptr) + return false; // Nothing to do + + if (command == "alignView") { + qDebug() << " align "; + alignToAxes(); + return true; + } + return false; +} + QList ResetView::actions() const { QList result; diff --git a/avogadro/qtplugins/resetview/resetview.h b/avogadro/qtplugins/resetview/resetview.h index 5f07e3fab2..691b74dac7 100644 --- a/avogadro/qtplugins/resetview/resetview.h +++ b/avogadro/qtplugins/resetview/resetview.h @@ -31,6 +31,11 @@ class ResetView : public Avogadro::QtGui::ExtensionPlugin QList actions() const override; QStringList menuPath(QAction*) const override; + bool handleCommand(const QString& command, + const QVariantMap& options) override; + + void registerCommands() override; + public slots: void setMolecule(QtGui::Molecule* mol) override; void setCamera(Rendering::Camera* camera) override; From 27d7585f14db2780fc42224d9bf5458d2ea0c90d Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 17 Oct 2023 12:52:51 -0400 Subject: [PATCH 008/186] Add script command to create or remove bonding Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/bonding/bonding.cpp | 27 ++++++++++++++++++++++++++ avogadro/qtplugins/bonding/bonding.h | 5 +++++ 2 files changed, 32 insertions(+) diff --git a/avogadro/qtplugins/bonding/bonding.cpp b/avogadro/qtplugins/bonding/bonding.cpp index 67669feb06..f4781afdfc 100644 --- a/avogadro/qtplugins/bonding/bonding.cpp +++ b/avogadro/qtplugins/bonding/bonding.cpp @@ -68,6 +68,33 @@ void Bonding::setMolecule(QtGui::Molecule* mol) m_molecule = mol; } +void Bonding::registerCommands() +{ + emit registerCommand("removeBonds", + tr("Remove bonds from all or selected atoms.")); + emit registerCommand("createBonds", + tr("Create bonds between all or selected atoms.")); + emit registerCommand("addBondOrders", tr("Perceive bond orders.")); +} + +bool Bonding::handleCommand(const QString& command, const QVariantMap& options) +{ + if (m_molecule == nullptr) + return false; // No molecule to handle the command. + + if (command == "removeBonds") { + clearBonds(); + return true; + } else if (command == "createBonds") { + bond(); + return true; + } else if (command == "addBondOrders") { + bondOrders(); + return true; + } + return false; +} + void Bonding::configure() { if (!m_ui) { diff --git a/avogadro/qtplugins/bonding/bonding.h b/avogadro/qtplugins/bonding/bonding.h index 8a7408ac3f..312ca6a9c3 100644 --- a/avogadro/qtplugins/bonding/bonding.h +++ b/avogadro/qtplugins/bonding/bonding.h @@ -40,6 +40,11 @@ class Bonding : public QtGui::ExtensionPlugin QStringList menuPath(QAction* action) const override; + bool handleCommand(const QString& command, + const QVariantMap& options) override; + + void registerCommands() override; + public slots: void setMolecule(QtGui::Molecule* mol) override; From fb3728ae27028dade103c5cc454e7f9bacf3ae9a Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 17 Oct 2023 12:54:21 -0400 Subject: [PATCH 009/186] Add rotate / translate / zoom to the navigator tool Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/navigator/navigator.cpp | 57 +++++++++++++++++++--- avogadro/qtplugins/navigator/navigator.h | 5 ++ 2 files changed, 55 insertions(+), 7 deletions(-) diff --git a/avogadro/qtplugins/navigator/navigator.cpp b/avogadro/qtplugins/navigator/navigator.cpp index d901615a68..cd55a466c5 100644 --- a/avogadro/qtplugins/navigator/navigator.cpp +++ b/avogadro/qtplugins/navigator/navigator.cpp @@ -13,12 +13,13 @@ #include #include -#include +#include +#include #include +#include #include #include #include -#include #include #include @@ -42,11 +43,53 @@ Navigator::Navigator(QObject* parent_) "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n")); - + QSettings settings; m_zoomDirection = settings.value("navigator/zoom", 1).toInt(); } +void Navigator::registerCommands() +{ + emit registerCommand("rotateScene", + tr("Rotate the scene along the x, y, or z axes.")); + emit registerCommand("zoomScene", tr("Zoom the scene.")); + emit registerCommand("translateScene", tr("Translate the scene.")); +} + +bool Navigator::handleCommand(const QString& command, + const QVariantMap& options) +{ + qDebug() << "Navigator::handleCommand: " << command; + qDebug() << (m_renderer == nullptr); + qDebug() << (m_glWidget == nullptr); + qDebug() << (m_molecule == nullptr); + + if (m_renderer == nullptr) + return false; // No camera + + if (command == "rotateScene") { + float x = options.value("x").toFloat() * DEG_TO_RAD; + float y = options.value("y").toFloat() * DEG_TO_RAD; + float z = options.value("z").toFloat() * DEG_TO_RAD; + rotate(m_renderer->camera().focus(), x, y, z); + m_glWidget->requestUpdate(); + qDebug() << "rotateScene: " << x << y << z; + return true; + } else if (command == "zoomScene") { + float d = options.value("delta").toFloat(); + zoom(m_renderer->camera().focus(), d); + m_glWidget->requestUpdate(); + return true; + } else if (command == "translateScene") { + float x = options.value("x").toFloat(); + float y = options.value("y").toFloat(); + translate(m_renderer->camera().focus(), x, y); + m_glWidget->requestUpdate(); + return true; + } + return false; +} + Navigator::~Navigator() {} QWidget* Navigator::toolWidget() const @@ -55,8 +98,7 @@ QWidget* Navigator::toolWidget() const m_toolWidget = new QWidget(qobject_cast(parent())); auto* layout = new QVBoxLayout; - auto* swapZoom = - new QCheckBox(tr("Reverse Direction of Zoom on Scroll")); + auto* swapZoom = new QCheckBox(tr("Reverse Direction of Zoom on Scroll")); swapZoom->setToolTip( tr("Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom")); @@ -169,7 +211,8 @@ QUndoCommand* Navigator::wheelEvent(QWheelEvent* e) QPoint numDegrees = e->angleDelta() * 0.125; // see https://doc.qt.io/qt-5/qwheelevent.html#pixelDelta - if (!numPixels.isNull() && QGuiApplication::platformName().toStdString().compare("xcb")) + if (!numPixels.isNull() && + QGuiApplication::platformName().toStdString().compare("xcb")) d = numPixels.y(); // use pixelDelta() when available, except on X11 else if (!numDegrees.isNull()) d = numDegrees.y(); // fall back to angleDelta() @@ -299,4 +342,4 @@ inline void Navigator::translate(const Vector3f& ref, const Vector2f& fromScr, m_renderer->camera().translate(to - from); } -} // namespace Avogadro +} // namespace Avogadro::QtPlugins diff --git a/avogadro/qtplugins/navigator/navigator.h b/avogadro/qtplugins/navigator/navigator.h index ee1d1ec05a..8a1cd73441 100644 --- a/avogadro/qtplugins/navigator/navigator.h +++ b/avogadro/qtplugins/navigator/navigator.h @@ -49,6 +49,11 @@ class Navigator : public QtGui::ToolPlugin QUndoCommand* keyPressEvent(QKeyEvent* e) override; QUndoCommand* keyReleaseEvent(QKeyEvent* e) override; + bool handleCommand(const QString& command, + const QVariantMap& options) override; + + void registerCommands() override; + protected slots: void swapZoomDirection(bool checked); From 122501563632fd8239e9609f3127213123575196 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 17 Oct 2023 14:37:13 -0400 Subject: [PATCH 010/186] Fix bug in Hall group perception with " for = files Signed-off-by: Geoff Hutchison --- avogadro/core/spacegroups.cpp | 11 +++++++---- 1 file changed, 7 insertions(+), 4 deletions(-) diff --git a/avogadro/core/spacegroups.cpp b/avogadro/core/spacegroups.cpp index f8a32a23e6..e89ffbbe00 100644 --- a/avogadro/core/spacegroups.cpp +++ b/avogadro/core/spacegroups.cpp @@ -28,31 +28,34 @@ unsigned short SpaceGroups::hallNumber(const std::string& spaceGroup) { unsigned short hall = 0; // can't find anything const unsigned short hall_count = 530; + // some files use " instead of = for the space group symbol + std::string sg = spaceGroup; + std::replace(sg.begin(), sg.end(), '"', '='); // space_group_hall_symbol for (unsigned short i = 0; i < hall_count; ++i) { - if (spaceGroup == space_group_hall_symbol[i]) { + if (sg == space_group_hall_symbol[i]) { return i; // found a match } } // space_group_international for (unsigned short i = 0; i < hall_count; ++i) { - if (spaceGroup == space_group_international[i]) { + if (sg == space_group_international[i]) { return i; // found a match } } // space_group_international_short for (unsigned short i = 0; i < hall_count; ++i) { - if (spaceGroup == space_group_international_short[i]) { + if (sg == space_group_international_short[i]) { return i; // found a match } } // space_group_international_full for (unsigned short i = 0; i < hall_count; ++i) { - if (spaceGroup == space_group_international_full[i]) { + if (sg == space_group_international_full[i]) { return i; // found a match } } From 5b0a8b7b94dd00b29c4b668ea6170b0f81572633 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 17 Oct 2023 14:47:53 -0400 Subject: [PATCH 011/186] Minor tweaks to make parts of fillUnitCell optional Signed-off-by: Geoff Hutchison --- avogadro/core/spacegroups.cpp | 10 +++++++--- avogadro/core/spacegroups.h | 14 ++++++++------ 2 files changed, 15 insertions(+), 9 deletions(-) diff --git a/avogadro/core/spacegroups.cpp b/avogadro/core/spacegroups.cpp index e89ffbbe00..d96b239a6c 100644 --- a/avogadro/core/spacegroups.cpp +++ b/avogadro/core/spacegroups.cpp @@ -259,7 +259,7 @@ Array SpaceGroups::getTransforms(unsigned short hallNumber, } void SpaceGroups::fillUnitCell(Molecule& mol, unsigned short hallNumber, - double cartTol) + double cartTol, bool wrapToCell, bool allCopies) { if (!mol.unitCell()) return; @@ -303,13 +303,17 @@ void SpaceGroups::fillUnitCell(Molecule& mol, unsigned short hallNumber, newAtom.setPosition3d(newCandidate); } } - // @todo make this optional - CrystalTools::wrapAtomsToUnitCell(mol); + + if (wrapToCell) + CrystalTools::wrapAtomsToUnitCell(mol); // Now we need to generate any copies on the unit boundary // We need to loop through all the atoms again // if a fractional coordinate contains 0.0, we need to generate a copy // of the atom at 1.0 + if (!allCopies) + return; + atomicNumbers = mol.atomicNumbers(); positions = mol.atomPositions3d(); numAtoms = mol.atomCount(); diff --git a/avogadro/core/spacegroups.h b/avogadro/core/spacegroups.h index 67a0efa68c..22fc963a70 100644 --- a/avogadro/core/spacegroups.h +++ b/avogadro/core/spacegroups.h @@ -42,7 +42,8 @@ class AVOGADROCORE_EXPORT SpaceGroups ~SpaceGroups(); /** - * @return The hall number of the matching space group string or 0 if not found + * @return The hall number of the matching space group string or 0 if not + * found */ static unsigned short hallNumber(const std::string& spaceGroup); @@ -65,8 +66,8 @@ class AVOGADROCORE_EXPORT SpaceGroups static const char* schoenflies(unsigned short hallNumber); /** - * @return the Hall symbol for a given hall number. '=' is used instead of '"'. - * If an invalid hall number is given, an empty string will be returned. + * @return the Hall symbol for a given hall number. '=' is used instead of + * '"'. If an invalid hall number is given, an empty string will be returned. */ static const char* hallSymbol(unsigned short hallNumber); @@ -118,7 +119,8 @@ class AVOGADROCORE_EXPORT SpaceGroups * distance, the new atom will not be placed there. */ static void fillUnitCell(Molecule& mol, unsigned short hallNumber, - double cartTol = 1e-5); + double cartTol = 1e-5, bool wrapToCell = true, + bool allCopies = true); /** * Reduce a cell to its asymmetric unit. @@ -137,7 +139,7 @@ class AVOGADROCORE_EXPORT SpaceGroups static const char* transformsString(unsigned short hallNumber); }; -} // end Core namespace -} // end Avogadro namespace +} // namespace Core +} // namespace Avogadro #endif // AVOGADRO_CORE_SPACE_GROUPS_H From f00123520d54d8697725520d5e0ff940345c4089 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 17 Oct 2023 14:57:22 -0400 Subject: [PATCH 012/186] Fixed formatting Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/resetview/resetview.cpp | 15 ++++++++------- 1 file changed, 8 insertions(+), 7 deletions(-) diff --git a/avogadro/qtplugins/resetview/resetview.cpp b/avogadro/qtplugins/resetview/resetview.cpp index dfdc869ef4..3ab0155c19 100644 --- a/avogadro/qtplugins/resetview/resetview.cpp +++ b/avogadro/qtplugins/resetview/resetview.cpp @@ -9,10 +9,10 @@ #include #include -#include #include -#include #include +#include +#include #include @@ -52,10 +52,11 @@ void ResetView::registerCommands() emit registerCommand("alignView", tr("Align view to axes.")); } -bool ResetView::handleCommand(const QString& command, const QVariantMap& options) +bool ResetView::handleCommand(const QString& command, + const QVariantMap& options) { if (m_molecule == nullptr || m_camera == nullptr) - return false; // Nothing to do + return false; // Nothing to do if (command == "alignView") { qDebug() << " align "; @@ -204,13 +205,13 @@ inline void getOBB(const Array& mols, Vector3d& centroid, { centroid = Vector3::Zero(); - for (const auto & mol : mols) + for (const auto& mol : mols) centroid += mol; centroid /= (double)mols.size(); Matrix3d covariance = Matrix3::Zero(); - for (const auto & mol : mols) { + for (const auto& mol : mols) { Vector3d adjusted = mol - centroid; covariance += adjusted * adjusted.transpose(); } @@ -273,4 +274,4 @@ void ResetView::alignToAxes() animationCameraDefault(); } -} // namespace Avogadro +} // namespace Avogadro::QtPlugins From 91c5c95cb9e7e7036a79dd0f26cf1feeb45c3e09 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 17 Oct 2023 17:26:11 -0400 Subject: [PATCH 013/186] Fix issue with last Hall number (off-by-one error) Signed-off-by: Geoff Hutchison --- avogadro/core/spacegroups.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/avogadro/core/spacegroups.cpp b/avogadro/core/spacegroups.cpp index d96b239a6c..4448fbfb2d 100644 --- a/avogadro/core/spacegroups.cpp +++ b/avogadro/core/spacegroups.cpp @@ -27,7 +27,7 @@ SpaceGroups::~SpaceGroups() {} unsigned short SpaceGroups::hallNumber(const std::string& spaceGroup) { unsigned short hall = 0; // can't find anything - const unsigned short hall_count = 530; + const unsigned short hall_count = 531; // 530 but first one is empty // some files use " instead of = for the space group symbol std::string sg = spaceGroup; std::replace(sg.begin(), sg.end(), '"', '='); From 4177564b39d2c108102d2897e98f6c5eb69be0a8 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 17 Oct 2023 17:29:43 -0400 Subject: [PATCH 014/186] Remove debug statement and animation Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/resetview/resetview.cpp | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/avogadro/qtplugins/resetview/resetview.cpp b/avogadro/qtplugins/resetview/resetview.cpp index 3ab0155c19..c191959fa9 100644 --- a/avogadro/qtplugins/resetview/resetview.cpp +++ b/avogadro/qtplugins/resetview/resetview.cpp @@ -59,8 +59,7 @@ bool ResetView::handleCommand(const QString& command, return false; // Nothing to do if (command == "alignView") { - qDebug() << " align "; - alignToAxes(); + animationCameraDefault(false); return true; } return false; From c701c3e899d15b86ad7a65f2daca64472715047e Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 17 Oct 2023 21:35:55 -0400 Subject: [PATCH 015/186] Switch to using CJSON as the default format with obabel Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/openbabel/openbabel.cpp | 24 ++++++++++++---------- 1 file changed, 13 insertions(+), 11 deletions(-) diff --git a/avogadro/qtplugins/openbabel/openbabel.cpp b/avogadro/qtplugins/openbabel/openbabel.cpp index fc00590de3..c461ccc73d 100644 --- a/avogadro/qtplugins/openbabel/openbabel.cpp +++ b/avogadro/qtplugins/openbabel/openbabel.cpp @@ -38,7 +38,7 @@ namespace Avogadro::QtPlugins { OpenBabel::OpenBabel(QObject* p) : ExtensionPlugin(p), m_molecule(nullptr), m_process(new OBProcess(this)), m_readFormatsPending(true), m_writeFormatsPending(true), - m_defaultFormat("cml"), m_progress(nullptr) + m_defaultFormat("cjson"), m_progress(nullptr) { auto* action = new QAction(this); action->setEnabled(true); @@ -126,7 +126,7 @@ QList OpenBabel::fileFormats() const std::vector fmime; // Simple lambda to replace toSet in QList - auto toSet = [&] (const QList& list) { + auto toSet = [&](const QList& list) { return QSet(list.begin(), list.end()); }; @@ -259,9 +259,9 @@ void OpenBabel::handleReadFormatUpdate(const QMultiMap& fmts) emit fileFormatsReady(); // Update the default format if cjson is available - if (m_readFormats.contains("Chemical JSON") && - m_writeFormats.contains("Chemical JSON")) { - m_defaultFormat = "cjson"; + if (!m_readFormats.contains("Chemical JSON") && + !m_writeFormats.contains("Chemical JSON")) { + m_defaultFormat = "cml"; } } } @@ -294,9 +294,9 @@ void OpenBabel::handleWriteFormatUpdate(const QMultiMap& fmts) emit fileFormatsReady(); // Update the default format if cjson is available - if (m_readFormats.contains("Chemical JSON") && - m_writeFormats.contains("Chemical JSON")) { - m_defaultFormat = "cjson"; + if (!m_readFormats.contains("Chemical JSON") && + !m_writeFormats.contains("Chemical JSON")) { + m_defaultFormat = "cml"; } } } @@ -313,7 +313,8 @@ void OpenBabel::refreshForceFields() proc->queryForceFields(); } -void OpenBabel::handleForceFieldsUpdate(const QMultiMap& ffMap) +void OpenBabel::handleForceFieldsUpdate( + const QMultiMap& ffMap) { auto* proc = qobject_cast(sender()); if (proc) @@ -334,7 +335,8 @@ void OpenBabel::refreshCharges() proc->queryCharges(); } -void OpenBabel::handleChargesUpdate(const QMultiMap& chargeMap) +void OpenBabel::handleChargesUpdate( + const QMultiMap& chargeMap) { auto* proc = qobject_cast(sender()); if (proc) @@ -860,4 +862,4 @@ QString OpenBabel::autoDetectForceField() const return result; } -} // namespace Avogadro +} // namespace Avogadro::QtPlugins From ccebc561786b4a4e1d8d0aeeaa80f594002d199f Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 17 Oct 2023 22:53:16 -0400 Subject: [PATCH 016/186] Fix typos in isovalue and homo/lumo math Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/surfaces/surfaces.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/avogadro/qtplugins/surfaces/surfaces.cpp b/avogadro/qtplugins/surfaces/surfaces.cpp index 05f5cd6586..87071bced1 100644 --- a/avogadro/qtplugins/surfaces/surfaces.cpp +++ b/avogadro/qtplugins/surfaces/surfaces.cpp @@ -144,7 +144,7 @@ bool Surfaces::handleCommand(const QString& command, const QVariantMap& options) cubeResolution = res; } if (options.contains("isovalue") && - options["isolvalue"].canConvert()) { + options["isovalue"].canConvert()) { bool ok; float iso = options["isovalue"].toFloat(&ok); if (ok) @@ -165,7 +165,7 @@ bool Surfaces::handleCommand(const QString& command, const QVariantMap& options) expression = name.remove("homo", Qt::CaseInsensitive); } else if (name.contains("lumo", Qt::CaseInsensitive)) { index = homo + 1; // again modified by the expression - expression = name.remove("homo", Qt::CaseInsensitive); + expression = name.remove("lumo", Qt::CaseInsensitive); } // modify HOMO / LUMO based on "+ number" or "- number" if (expression.contains('-')) { From f6b2ff6c67dfc4532ecbcdb51226808d5dbbf7dc Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 17 Oct 2023 23:13:55 -0400 Subject: [PATCH 017/186] Fix off-by-one error between user orbital numbers and internal idx Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/surfaces/surfaces.cpp | 11 ++++++----- 1 file changed, 6 insertions(+), 5 deletions(-) diff --git a/avogadro/qtplugins/surfaces/surfaces.cpp b/avogadro/qtplugins/surfaces/surfaces.cpp index 87071bced1..59ce8e13b9 100644 --- a/avogadro/qtplugins/surfaces/surfaces.cpp +++ b/avogadro/qtplugins/surfaces/surfaces.cpp @@ -143,8 +143,7 @@ bool Surfaces::handleCommand(const QString& command, const QVariantMap& options) if (ok) cubeResolution = res; } - if (options.contains("isovalue") && - options["isovalue"].canConvert()) { + if (options.contains("isovalue") && options["isovalue"].canConvert()) { bool ok; float iso = options["isovalue"].toFloat(&ok); if (ok) @@ -181,9 +180,11 @@ bool Surfaces::handleCommand(const QString& command, const QVariantMap& options) if (ok) index = index + n; } - - } else - index = options.value("index").toInt(); + index = index - 1; // start from zero + } else { + // internally, we count orbitals from zero + index = options.value("index").toInt() - 1; + } } bool beta = false; if (options.contains("spin")) { From a07a8b12c87673860a378b75a03337cebec0e4f1 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Wed, 18 Oct 2023 17:45:20 -0400 Subject: [PATCH 018/186] Reading Gaussian fchk vibrations when present Signed-off-by: Geoff Hutchison --- avogadro/quantumio/gaussianfchk.cpp | 55 ++++++++++++++++++++++++++++- avogadro/quantumio/gaussianfchk.h | 14 ++++++-- 2 files changed, 66 insertions(+), 3 deletions(-) diff --git a/avogadro/quantumio/gaussianfchk.cpp b/avogadro/quantumio/gaussianfchk.cpp index c58f0ce3f3..9f748a1269 100644 --- a/avogadro/quantumio/gaussianfchk.cpp +++ b/avogadro/quantumio/gaussianfchk.cpp @@ -57,6 +57,17 @@ bool GaussianFchk::read(std::istream& in, Core::Molecule& molecule) m_aPos[i + 1] * BOHR_TO_ANGSTROM, m_aPos[i + 2] * BOHR_TO_ANGSTROM)); } + + if (m_frequencies.size() > 0 && + m_frequencies.size() == m_vibDisplacements.size() && + m_frequencies.size() == m_IRintensities.size()) { + molecule.setVibrationFrequencies(m_frequencies); + molecule.setVibrationIRIntensities(m_IRintensities); + molecule.setVibrationLx(m_vibDisplacements); + if (m_RamanIntensities.size()) + molecule.setVibrationRamanIntensities(m_RamanIntensities); + } + // Do simple bond perception. molecule.perceiveBondsSimple(); molecule.perceiveBondOrders(); @@ -91,7 +102,7 @@ void GaussianFchk::processLine(std::istream& in) } else if (Core::contains(key, "UHF")) { m_scftype = Uhf; } else if (key == "Number of atoms" && list.size() > 1) { - cout << "Number of atoms = " << Core::lexicalCast(list[1]) << endl; + m_numAtoms = Core::lexicalCast(list[1]); } else if (key == "Charge" && list.size() > 1) { m_charge = Core::lexicalCast(list[1]); } else if (key == "Multiplicity" && list.size() > 1) { @@ -183,6 +194,48 @@ void GaussianFchk::processLine(std::istream& in) << endl; else cout << "Error reading in the SCF spin density matrix.\n"; + } else if (key == "Number of Normal Modes" && list.size() > 1) { + m_normalModes = Core::lexicalCast(list[1]); + } else if (key == "Vib-E2" && list.size() > 2) { + m_frequencies.clear(); + m_IRintensities.clear(); + m_RamanIntensities.clear(); + + unsigned threeN = m_numAtoms * 3; // degrees of freedom + std::vector tmp = + readArrayD(in, Core::lexicalCast(list[2]), 16); + + // read in the first 3N-6 elements as frequencies + for (unsigned int i = 0; i < m_normalModes; ++i) { + m_frequencies.push_back(tmp[i]); + } + // skip to after threeN elements then read IR intensities + for (unsigned int i = threeN; i < threeN + m_normalModes; ++i) { + m_IRintensities.push_back(tmp[i]); + } + // now check if we have Raman intensities + if (tmp[threeN + m_normalModes] != 0.0) { + for (unsigned int i = threeN + m_normalModes; + i < threeN + 2 * m_normalModes; ++i) { + m_RamanIntensities.push_back(tmp[i]); + } + } + } else if (key == "Vib-Modes" && list.size() > 2) { + std::vector tmp = readArrayD(in, Core::lexicalCast(list[2]), 16); + m_vibDisplacements.clear(); + if (tmp.size() == m_numAtoms * 3 * m_normalModes) { + for (unsigned int i = 0; i < m_normalModes; ++i) { + Core::Array mode; + for (unsigned int j = 0; j < m_numAtoms; ++j) { + Vector3 v(tmp[i * m_numAtoms * 3 + j * 3], + tmp[i * m_numAtoms * 3 + j * 3 + 1], + tmp[i * m_numAtoms * 3 + j * 3 + 2]); + mode.push_back(v); + } + m_vibDisplacements.push_back(mode); + } + } + cout << "Read " << m_vibDisplacements.size() << " vibrational modes\n"; } } diff --git a/avogadro/quantumio/gaussianfchk.h b/avogadro/quantumio/gaussianfchk.h index e2c3c4abea..f232c2ffbd 100644 --- a/avogadro/quantumio/gaussianfchk.h +++ b/avogadro/quantumio/gaussianfchk.h @@ -7,6 +7,8 @@ #define AVOGADRO_QUANTUMIO_GAUSSIANFCHK_H #include "avogadroquantumioexport.h" + +#include #include #include @@ -67,6 +69,8 @@ class AVOGADROQUANTUMIO_EXPORT GaussianFchk : public Io::FileFormat int m_electrons; int m_electronsAlpha; int m_electronsBeta; + int m_normalModes; + int m_numAtoms; unsigned char m_spin; signed char m_charge; unsigned int m_numBasisFunctions; @@ -87,8 +91,14 @@ class AVOGADROQUANTUMIO_EXPORT GaussianFchk : public Io::FileFormat MatrixX m_density; /// Total density matrix MatrixX m_spinDensity; /// Spin density matrix Core::ScfType m_scftype; + + Core::Array m_frequencies; + Core::Array m_IRintensities; + Core::Array m_RamanIntensities; + Core::Array> m_vibDisplacements; }; -} -} + +} // namespace QuantumIO +} // namespace Avogadro #endif From 66e0bfc3fee9856570dc69ede33e8c1bd38cbdb0 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Wed, 18 Oct 2023 17:47:27 -0400 Subject: [PATCH 019/186] Fix formatting Signed-off-by: Geoff Hutchison --- avogadro/quantumio/gaussianfchk.cpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/avogadro/quantumio/gaussianfchk.cpp b/avogadro/quantumio/gaussianfchk.cpp index 9f748a1269..2a2d1c792c 100644 --- a/avogadro/quantumio/gaussianfchk.cpp +++ b/avogadro/quantumio/gaussianfchk.cpp @@ -221,7 +221,8 @@ void GaussianFchk::processLine(std::istream& in) } } } else if (key == "Vib-Modes" && list.size() > 2) { - std::vector tmp = readArrayD(in, Core::lexicalCast(list[2]), 16); + std::vector tmp = + readArrayD(in, Core::lexicalCast(list[2]), 16); m_vibDisplacements.clear(); if (tmp.size() == m_numAtoms * 3 * m_normalModes) { for (unsigned int i = 0; i < m_normalModes; ++i) { From 4f0291a17df3881e14df1b2a95cc9f03dad5f9c7 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Wed, 18 Oct 2023 20:06:17 -0400 Subject: [PATCH 020/186] Fix code quality (too many tmp variables) Signed-off-by: Geoff Hutchison --- avogadro/quantumio/gaussianfchk.cpp | 55 ++++++++++------------------- 1 file changed, 19 insertions(+), 36 deletions(-) diff --git a/avogadro/quantumio/gaussianfchk.cpp b/avogadro/quantumio/gaussianfchk.cpp index 2a2d1c792c..2daf34a2f5 100644 --- a/avogadro/quantumio/gaussianfchk.cpp +++ b/avogadro/quantumio/gaussianfchk.cpp @@ -95,6 +95,7 @@ void GaussianFchk::processLine(std::istream& in) string tmp = line.substr(43); vector list = Core::split(tmp, ' '); + std::vector tmpVec; // Big switch statement checking for various things we are interested in if (Core::contains(key, "RHF")) { @@ -115,13 +116,11 @@ void GaussianFchk::processLine(std::istream& in) m_electronsBeta = Core::lexicalCast(list[1]); } else if (key == "Number of basis functions" && list.size() > 1) { m_numBasisFunctions = Core::lexicalCast(list[1]); - cout << "Number of basis functions = " << m_numBasisFunctions << endl; + // cout << "Number of basis functions = " << m_numBasisFunctions << endl; } else if (key == "Atomic numbers" && list.size() > 2) { m_aNums = readArrayI(in, Core::lexicalCast(list[2])); if (static_cast(m_aNums.size()) != Core::lexicalCast(list[2])) cout << "Reading atomic numbers failed.\n"; - else - cout << "Reading atomic numbers succeeded.\n"; } // Now we get to the meat of it - coordinates of the atoms else if (key == "Current cartesian coordinates" && list.size() > 2) { @@ -145,15 +144,16 @@ void GaussianFchk::processLine(std::istream& in) } else if (key == "Alpha Orbital Energies") { if (m_scftype == Rhf) { m_orbitalEnergy = readArrayD(in, Core::lexicalCast(list[2]), 16); - cout << "MO energies, n = " << m_orbitalEnergy.size() << endl; + // cout << "MO energies, n = " << m_orbitalEnergy.size() << endl; } else if (m_scftype == Uhf) { m_alphaOrbitalEnergy = readArrayD(in, Core::lexicalCast(list[2]), 16); - cout << "Alpha MO energies, n = " << m_alphaOrbitalEnergy.size() << endl; + // cout << "Alpha MO energies, n = " << m_alphaOrbitalEnergy.size() << + // endl; } } else if (key == "Beta Orbital Energies") { if (m_scftype != Uhf) { - cout << "UHF detected. Reassigning Alpha properties." << endl; + // cout << "UHF detected. Reassigning Alpha properties." << endl; m_scftype = Uhf; m_alphaOrbitalEnergy = m_orbitalEnergy; m_orbitalEnergy = vector(); @@ -163,36 +163,22 @@ void GaussianFchk::processLine(std::istream& in) } m_betaOrbitalEnergy = readArrayD(in, Core::lexicalCast(list[2]), 16); - cout << "Beta MO energies, n = " << m_betaOrbitalEnergy.size() << endl; + // cout << "Beta MO energies, n = " << m_betaOrbitalEnergy.size() << endl; } else if (key == "Alpha MO coefficients" && list.size() > 2) { if (m_scftype == Rhf) { m_MOcoeffs = readArrayD(in, Core::lexicalCast(list[2]), 16); - if (static_cast(m_MOcoeffs.size()) == - Core::lexicalCast(list[2])) - cout << "MO coefficients, n = " << m_MOcoeffs.size() << endl; } else if (m_scftype == Uhf) { m_alphaMOcoeffs = readArrayD(in, Core::lexicalCast(list[2]), 16); - if (static_cast(m_alphaMOcoeffs.size()) == - Core::lexicalCast(list[2])) - cout << "Alpha MO coefficients, n = " << m_alphaMOcoeffs.size() << endl; } else { cout << "Error, alpha MO coefficients, n = " << m_MOcoeffs.size() << endl; } } else if (key == "Beta MO coefficients" && list.size() > 2) { m_betaMOcoeffs = readArrayD(in, Core::lexicalCast(list[2]), 16); - if (static_cast(m_betaMOcoeffs.size()) == - Core::lexicalCast(list[2])) - cout << "Beta MO coefficients, n = " << m_betaMOcoeffs.size() << endl; } else if (key == "Total SCF Density" && list.size() > 2) { - if (readDensityMatrix(in, Core::lexicalCast(list[2]), 16)) - cout << "SCF density matrix read in " << m_density.rows() << endl; - else + if (!readDensityMatrix(in, Core::lexicalCast(list[2]), 16)) cout << "Error reading in the SCF density matrix.\n"; } else if (key == "Spin SCF Density" && list.size() > 2) { - if (readSpinDensityMatrix(in, Core::lexicalCast(list[2]), 16)) - cout << "SCF spin density matrix read in " << m_spinDensity.rows() - << endl; - else + if (!readSpinDensityMatrix(in, Core::lexicalCast(list[2]), 16)) cout << "Error reading in the SCF spin density matrix.\n"; } else if (key == "Number of Normal Modes" && list.size() > 1) { m_normalModes = Core::lexicalCast(list[1]); @@ -202,41 +188,38 @@ void GaussianFchk::processLine(std::istream& in) m_RamanIntensities.clear(); unsigned threeN = m_numAtoms * 3; // degrees of freedom - std::vector tmp = - readArrayD(in, Core::lexicalCast(list[2]), 16); + tmpVec = readArrayD(in, Core::lexicalCast(list[2]), 16); // read in the first 3N-6 elements as frequencies for (unsigned int i = 0; i < m_normalModes; ++i) { - m_frequencies.push_back(tmp[i]); + m_frequencies.push_back(tmpVec[i]); } // skip to after threeN elements then read IR intensities for (unsigned int i = threeN; i < threeN + m_normalModes; ++i) { - m_IRintensities.push_back(tmp[i]); + m_IRintensities.push_back(tmpVec[i]); } // now check if we have Raman intensities - if (tmp[threeN + m_normalModes] != 0.0) { + if (tmpVec[threeN + m_normalModes] != 0.0) { for (unsigned int i = threeN + m_normalModes; i < threeN + 2 * m_normalModes; ++i) { - m_RamanIntensities.push_back(tmp[i]); + m_RamanIntensities.push_back(tmpVec[i]); } } } else if (key == "Vib-Modes" && list.size() > 2) { - std::vector tmp = - readArrayD(in, Core::lexicalCast(list[2]), 16); + tmpVec = readArrayD(in, Core::lexicalCast(list[2]), 16); m_vibDisplacements.clear(); - if (tmp.size() == m_numAtoms * 3 * m_normalModes) { + if (tmpVec.size() == m_numAtoms * 3 * m_normalModes) { for (unsigned int i = 0; i < m_normalModes; ++i) { Core::Array mode; for (unsigned int j = 0; j < m_numAtoms; ++j) { - Vector3 v(tmp[i * m_numAtoms * 3 + j * 3], - tmp[i * m_numAtoms * 3 + j * 3 + 1], - tmp[i * m_numAtoms * 3 + j * 3 + 2]); + Vector3 v(tmpVec[i * m_numAtoms * 3 + j * 3], + tmpVec[i * m_numAtoms * 3 + j * 3 + 1], + tmpVec[i * m_numAtoms * 3 + j * 3 + 2]); mode.push_back(v); } m_vibDisplacements.push_back(mode); } } - cout << "Read " << m_vibDisplacements.size() << " vibrational modes\n"; } } From 5bf925164fbd2f6c2b309f7a9646c1152434dc6d Mon Sep 17 00:00:00 2001 From: Hosted Weblate Date: Sun, 15 Oct 2023 04:37:19 +0200 Subject: [PATCH 021/186] Update translation files Updated by "Update PO files to match POT (msgmerge)" hook in Weblate. Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ --- i18n/af.po | 74 +++++++++++++++++++++----- i18n/ar.po | 89 +++++++++++++++++++++++-------- i18n/bg.po | 81 ++++++++++++++++++++++------ i18n/bs.po | 97 ++++++++++++++++++++++++---------- i18n/ca.po | 97 ++++++++++++++++++++++++---------- i18n/ca@valencia.po | 97 ++++++++++++++++++++++++---------- i18n/cs.po | 121 ++++++++++++++++++++++++++---------------- i18n/da.po | 87 ++++++++++++++++++++++-------- i18n/de.po | 119 +++++++++++++++++++++++++---------------- i18n/el.po | 121 ++++++++++++++++++++++++++---------------- i18n/en_AU.po | 97 ++++++++++++++++++++++++---------- i18n/en_CA.po | 97 ++++++++++++++++++++++++---------- i18n/en_GB.po | 121 ++++++++++++++++++++++++++---------------- i18n/eo.po | 78 ++++++++++++++++++++++----- i18n/es.po | 125 +++++++++++++++++++++++++++----------------- i18n/et.po | 79 ++++++++++++++++++++++------ i18n/eu.po | 97 ++++++++++++++++++++++++---------- i18n/fa.po | 74 +++++++++++++++++++++----- i18n/fi.po | 82 ++++++++++++++++++++++------- i18n/fr.po | 124 +++++++++++++++++++++++++++---------------- i18n/fr_CA.po | 74 +++++++++++++++++++++----- i18n/gl.po | 97 ++++++++++++++++++++++++---------- i18n/he.po | 79 ++++++++++++++++++++++------ i18n/hi.po | 74 +++++++++++++++++++++----- i18n/hr.po | 76 ++++++++++++++++++++++----- i18n/hu.po | 97 ++++++++++++++++++++++++---------- i18n/id.po | 97 ++++++++++++++++++++++++---------- i18n/it.po | 97 ++++++++++++++++++++++++---------- i18n/ja.po | 121 ++++++++++++++++++++++++++---------------- i18n/ka.po | 76 ++++++++++++++++++++++----- i18n/kn.po | 74 +++++++++++++++++++++----- i18n/ko.po | 97 ++++++++++++++++++++++++---------- i18n/ms.po | 121 ++++++++++++++++++++++++++---------------- i18n/nb.po | 79 ++++++++++++++++++++++------ i18n/nl.po | 97 ++++++++++++++++++++++++---------- i18n/oc.po | 94 ++++++++++++++++++++++++--------- i18n/pl.po | 87 ++++++++++++++++++++++-------- i18n/pt.po | 97 ++++++++++++++++++++++++---------- i18n/pt_BR.po | 97 ++++++++++++++++++++++++---------- i18n/ro.po | 74 +++++++++++++++++++++----- i18n/ru.po | 97 ++++++++++++++++++++++++---------- i18n/sa.po | 74 +++++++++++++++++++++----- i18n/sk.po | 87 ++++++++++++++++++++++-------- i18n/sl.po | 121 ++++++++++++++++++++++++++---------------- i18n/sq.po | 74 +++++++++++++++++++++----- i18n/sr.po | 121 ++++++++++++++++++++++++++---------------- i18n/sv.po | 82 ++++++++++++++++++++++------- i18n/ta.po | 74 +++++++++++++++++++++----- i18n/te.po | 78 +++++++++++++++++++++------ i18n/th.po | 74 +++++++++++++++++++++----- i18n/tr.po | 88 ++++++++++++++++++++++++------- i18n/ug.po | 84 ++++++++++++++++++++++------- i18n/uk.po | 121 ++++++++++++++++++++++++++---------------- i18n/vi.po | 97 ++++++++++++++++++++++++---------- i18n/zh_CN.po | 97 ++++++++++++++++++++++++---------- i18n/zh_TW.po | 97 ++++++++++++++++++++++++---------- 56 files changed, 3789 insertions(+), 1439 deletions(-) diff --git a/i18n/af.po b/i18n/af.po index 09462ae918..cd1eab6432 100644 --- a/i18n/af.po +++ b/i18n/af.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-08 02:02+0000\n" +"POT-Creation-Date: 2023-10-15 02:02+0000\n" "PO-Revision-Date: 2021-06-19 13:34+0000\n" "Last-Translator: Nathan \n" "Language-Team: Afrikaans \n" "Language-Team: Arabic \n" "Language-Team: Bulgarian \n" "Language-Team: Bosnian \n" "Language-Team: Catalan \n" "Language-Team: Catalan (Valencia) \n" @@ -958,62 +958,67 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:52 +#: qtgui/fileformatdialog.cpp:48 +msgid "" +"The file name contains invalid characters. Please choose another file name." +msgstr "" + +#: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:100 +#: qtgui/fileformatdialog.cpp:108 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:114 +#: qtgui/fileformatdialog.cpp:122 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:163 +#: qtgui/fileformatdialog.cpp:171 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:164 +#: qtgui/fileformatdialog.cpp:172 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:168 +#: qtgui/fileformatdialog.cpp:176 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:169 +#: qtgui/fileformatdialog.cpp:177 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:173 +#: qtgui/fileformatdialog.cpp:181 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:174 +#: qtgui/fileformatdialog.cpp:182 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:179 +#: qtgui/fileformatdialog.cpp:187 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:279 +#: qtgui/fileformatdialog.cpp:287 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Tots els fitxers" -#: qtgui/fileformatdialog.cpp:282 +#: qtgui/fileformatdialog.cpp:290 msgid "All supported formats" msgstr "" @@ -1498,6 +1503,57 @@ msgstr "Exporta" msgid "ThreeDMol" msgstr "" +#: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 +msgid "Align" +msgstr "Alinea" + +#: qtplugins/aligntool/aligntool.cpp:56 +msgid "" +"Align Molecules\n" +"\n" +"Left Mouse: \tSelect up to two atoms.\n" +"\tThe first atom is centered at the origin.\n" +"\tThe second atom is aligned to the selected axis.\n" +"Right Mouse: \tReset alignment.\n" +"Double-Click: \tCenter the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:75 +msgid "Axis:" +msgstr "Eix:" + +#: qtplugins/aligntool/aligntool.cpp:152 +#, fuzzy +#| msgid "Align Settings" +msgid "Align at Origin" +msgstr "Configuració de l'alineació" + +#: qtplugins/aligntool/aligntool.cpp:188 +#, fuzzy +#| msgid "Align Settings" +msgid "Align to Axis" +msgstr "Configuració de l'alineació" + +#: qtplugins/aligntool/aligntool.cpp:304 +#, fuzzy +#| msgid "Renders the x, y, and z axes at the origin" +msgid "Center the atom at the origin." +msgstr "Representa els eixos x, y, i z a l'origen" + +#: qtplugins/aligntool/aligntool.cpp:307 +msgid "Rotate the molecule to align the atom to the specified axis." +msgstr "" + +#: qtplugins/aligntool/aligntool.h:30 +#, fuzzy +#| msgid "Align" +msgid "Align tool" +msgstr "Alinea" + +#: qtplugins/aligntool/aligntool.h:33 +msgid "Align molecules to a Cartesian axis" +msgstr "Alinea molècules als eixos cartesians" + #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" msgstr "" @@ -7834,9 +7890,6 @@ msgstr "" #~ msgid "Axes" #~ msgstr "Eixos" -#~ msgid "Renders the x, y, and z axes at the origin" -#~ msgstr "Representa els eixos x, y, i z a l'origen" - #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "" #~ "Representa les primitives utilitzant boles (àtoms) i bastons (enllaços)" @@ -8939,24 +8992,12 @@ msgstr "" #~ msgid "Tools" #~ msgstr "Eines" -#~ msgid "Axis:" -#~ msgstr "Eix:" - #~ msgid "Align:" #~ msgstr "Alinea:" #~ msgid "Everything" #~ msgstr "Tot" -#~ msgid "Align" -#~ msgstr "Alinea" - -#~ msgid "Align molecules to a Cartesian axis" -#~ msgstr "Alinea molècules als eixos cartesians" - -#~ msgid "Align Settings" -#~ msgstr "Configuració de l'alineació" - #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: No es pot configurar el camp de forces..." diff --git a/i18n/cs.po b/i18n/cs.po index dcdfa315fd..011c992aa0 100644 --- a/i18n/cs.po +++ b/i18n/cs.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-08 02:02+0000\n" +"POT-Creation-Date: 2023-10-15 02:02+0000\n" "PO-Revision-Date: 2016-06-29 05:59+0000\n" "Last-Translator: fri \n" "Language-Team: Czech \n" @@ -958,62 +958,67 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:52 +#: qtgui/fileformatdialog.cpp:48 +msgid "" +"The file name contains invalid characters. Please choose another file name." +msgstr "" + +#: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:100 +#: qtgui/fileformatdialog.cpp:108 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:114 +#: qtgui/fileformatdialog.cpp:122 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:163 +#: qtgui/fileformatdialog.cpp:171 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:164 +#: qtgui/fileformatdialog.cpp:172 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:168 +#: qtgui/fileformatdialog.cpp:176 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:169 +#: qtgui/fileformatdialog.cpp:177 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:173 +#: qtgui/fileformatdialog.cpp:181 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:174 +#: qtgui/fileformatdialog.cpp:182 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:179 +#: qtgui/fileformatdialog.cpp:187 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:279 +#: qtgui/fileformatdialog.cpp:287 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Všechny soubory" -#: qtgui/fileformatdialog.cpp:282 +#: qtgui/fileformatdialog.cpp:290 msgid "All supported formats" msgstr "" @@ -1502,6 +1507,64 @@ msgstr "Export" msgid "ThreeDMol" msgstr "" +#: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 +msgid "Align" +msgstr "Zarovnání" + +#: qtplugins/aligntool/aligntool.cpp:56 +msgid "" +"Align Molecules\n" +"\n" +"Left Mouse: \tSelect up to two atoms.\n" +"\tThe first atom is centered at the origin.\n" +"\tThe second atom is aligned to the selected axis.\n" +"Right Mouse: \tReset alignment.\n" +"Double-Click: \tCenter the atom at the origin." +msgstr "" +"Zarovnat molekuly\n" +"\n" +"Levé tlačítko myši: \tVybrat až dva atomy.\n" +"\tPrvní atom je vystředěn při původním.\n" +"\tDruhý atom je zarovnán vůči vybrané ose.\n" +"Pravé tlačítko myši: \tNastavit zarovnání znovu.\n" +"Dvojité klepnutí: \tVystředit atom při původním." + +#: qtplugins/aligntool/aligntool.cpp:75 +msgid "Axis:" +msgstr "Osa:" + +#: qtplugins/aligntool/aligntool.cpp:152 +#, fuzzy +#| msgid "Align Settings" +msgid "Align at Origin" +msgstr "Nastavení zarovnání" + +#: qtplugins/aligntool/aligntool.cpp:188 +#, fuzzy +#| msgid "Align Settings" +msgid "Align to Axis" +msgstr "Nastavení zarovnání" + +#: qtplugins/aligntool/aligntool.cpp:304 +#, fuzzy +#| msgid "selected atom to origin" +msgid "Center the atom at the origin." +msgstr "vybraný atom k počátku" + +#: qtplugins/aligntool/aligntool.cpp:307 +msgid "Rotate the molecule to align the atom to the specified axis." +msgstr "" + +#: qtplugins/aligntool/aligntool.h:30 +#, fuzzy +#| msgid "Align" +msgid "Align tool" +msgstr "Zarovnání" + +#: qtplugins/aligntool/aligntool.h:33 +msgid "Align molecules to a Cartesian axis" +msgstr "Zarovnat molekuly ke kartézským osám" + #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" msgstr "" @@ -9593,41 +9656,12 @@ msgstr "" #~ msgid "Tools" #~ msgstr "Nástroje" -#~ msgid "" -#~ "Align Molecules\n" -#~ "\n" -#~ "Left Mouse: \tSelect up to two atoms.\n" -#~ "\tThe first atom is centered at the origin.\n" -#~ "\tThe second atom is aligned to the selected axis.\n" -#~ "Right Mouse: \tReset alignment.\n" -#~ "Double-Click: \tCenter the atom at the origin." -#~ msgstr "" -#~ "Zarovnat molekuly\n" -#~ "\n" -#~ "Levé tlačítko myši: \tVybrat až dva atomy.\n" -#~ "\tPrvní atom je vystředěn při původním.\n" -#~ "\tDruhý atom je zarovnán vůči vybrané ose.\n" -#~ "Pravé tlačítko myši: \tNastavit zarovnání znovu.\n" -#~ "Dvojité klepnutí: \tVystředit atom při původním." - -#~ msgid "Axis:" -#~ msgstr "Osa:" - #~ msgid "Align:" #~ msgstr "Zarovnání:" #~ msgid "Everything" #~ msgstr "Vše" -#~ msgid "Align" -#~ msgstr "Zarovnání" - -#~ msgid "Align molecules to a Cartesian axis" -#~ msgstr "Zarovnat molekuly ke kartézským osám" - -#~ msgid "Align Settings" -#~ msgstr "Nastavení zarovnání" - #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" @@ -10198,9 +10232,6 @@ msgstr "" #~ msgid "by arbitrary vector" #~ msgstr "podle libovolného vektoru" -#~ msgid "selected atom to origin" -#~ msgstr "vybraný atom k počátku" - #~ msgid "selected atom to unit cell center" #~ msgstr "vybraný atom do středu jednotkové buňky" diff --git a/i18n/da.po b/i18n/da.po index 03e3a440af..9d17fb46f6 100644 --- a/i18n/da.po +++ b/i18n/da.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-08 02:02+0000\n" +"POT-Creation-Date: 2023-10-15 02:02+0000\n" "PO-Revision-Date: 2016-06-10 06:28+0000\n" "Last-Translator: jvd \n" "Language-Team: Danish \n" @@ -956,62 +956,67 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:52 +#: qtgui/fileformatdialog.cpp:48 +msgid "" +"The file name contains invalid characters. Please choose another file name." +msgstr "" + +#: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:100 +#: qtgui/fileformatdialog.cpp:108 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:114 +#: qtgui/fileformatdialog.cpp:122 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:163 +#: qtgui/fileformatdialog.cpp:171 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:164 +#: qtgui/fileformatdialog.cpp:172 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:168 +#: qtgui/fileformatdialog.cpp:176 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:169 +#: qtgui/fileformatdialog.cpp:177 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:173 +#: qtgui/fileformatdialog.cpp:181 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:174 +#: qtgui/fileformatdialog.cpp:182 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:179 +#: qtgui/fileformatdialog.cpp:187 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:279 +#: qtgui/fileformatdialog.cpp:287 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Alle filer" -#: qtgui/fileformatdialog.cpp:282 +#: qtgui/fileformatdialog.cpp:290 msgid "All supported formats" msgstr "" @@ -1496,6 +1501,53 @@ msgstr "Eksportér" msgid "ThreeDMol" msgstr "" +#: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 +msgid "Align" +msgstr "Ret ind" + +#: qtplugins/aligntool/aligntool.cpp:56 +msgid "" +"Align Molecules\n" +"\n" +"Left Mouse: \tSelect up to two atoms.\n" +"\tThe first atom is centered at the origin.\n" +"\tThe second atom is aligned to the selected axis.\n" +"Right Mouse: \tReset alignment.\n" +"Double-Click: \tCenter the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:75 +msgid "Axis:" +msgstr "Akser:" + +#: qtplugins/aligntool/aligntool.cpp:152 +msgid "Align at Origin" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:188 +msgid "Align to Axis" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:304 +#, fuzzy +#| msgid "Renders the x, y, and z axes at the origin" +msgid "Center the atom at the origin." +msgstr "Render x, y og z akserne ved origo" + +#: qtplugins/aligntool/aligntool.cpp:307 +msgid "Rotate the molecule to align the atom to the specified axis." +msgstr "" + +#: qtplugins/aligntool/aligntool.h:30 +#, fuzzy +#| msgid "Align" +msgid "Align tool" +msgstr "Ret ind" + +#: qtplugins/aligntool/aligntool.h:33 +msgid "Align molecules to a Cartesian axis" +msgstr "" + #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" msgstr "" @@ -7769,9 +7821,6 @@ msgstr "" #~ msgid "Axes" #~ msgstr "Akser" -#~ msgid "Renders the x, y, and z axes at the origin" -#~ msgstr "Render x, y og z akserne ved origo" - #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Render primitiver med kugler (atomer) og stave (bindinger)" @@ -8653,18 +8702,12 @@ msgstr "" #~ msgid "Tools" #~ msgstr "Værktøjer" -#~ msgid "Axis:" -#~ msgstr "Akser:" - #~ msgid "Align:" #~ msgstr "Ret ind:" #~ msgid "Everything" #~ msgstr "Det hele" -#~ msgid "Align" -#~ msgstr "Ret ind" - #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: kunne ikke sætte et kraftfelt op...." diff --git a/i18n/de.po b/i18n/de.po index eac4146f7c..75a6a7bf10 100644 --- a/i18n/de.po +++ b/i18n/de.po @@ -11,7 +11,7 @@ msgid "" msgstr "" "Project-Id-Version: _avogadro-de\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-08 02:02+0000\n" +"POT-Creation-Date: 2023-10-15 02:02+0000\n" "PO-Revision-Date: 2023-08-17 15:50+0000\n" "Last-Translator: Norwid Behrnd \n" "Language-Team: German \n" "Language-Team: Greek \n" "Language-Team: English (Australia) \n" "Language-Team: English (Canada) \n" "Language-Team: English (United Kingdom) \n" "Language-Team: Esperanto \n" "Language-Team: Spanish

Especificación de Formato. Cada carácter indica un " "valor a escribir por átomo:

# " -"- Índice atómico (1, 2, ..., numAtoms)
Z - Número atómico (e.g. «6» para el carbono)
Z - Número atómico (e.g. «6» para el carbono)
G - Número atómico estilo GAMESS (e.g. «6.0» para " "el carbono)
N - Nombre del " "elemento (e.g. «Carbono»)
S - " @@ -8094,9 +8157,6 @@ msgstr "" #~ msgid "Axes" #~ msgstr "Ejes" -#~ msgid "Renders the x, y, and z axes at the origin" -#~ msgstr "Renderiza los ejes x, y y z en el origen" - #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Representa las primitivas usando esferas (átomos) y palos (enlaces)" @@ -9577,41 +9637,12 @@ msgstr "" #~ msgid "Tools" #~ msgstr "Herramientas" -#~ msgid "" -#~ "Align Molecules\n" -#~ "\n" -#~ "Left Mouse: \tSelect up to two atoms.\n" -#~ "\tThe first atom is centered at the origin.\n" -#~ "\tThe second atom is aligned to the selected axis.\n" -#~ "Right Mouse: \tReset alignment.\n" -#~ "Double-Click: \tCenter the atom at the origin." -#~ msgstr "" -#~ "Alinear Moléculas \n" -#~ "\n" -#~ "Izquierdo del ratón: \t Seleccione hasta dos átomos. \n" -#~ "\t El primer átomo se centra en el origen. \n" -#~ "\t El segundo átomo está alineado con el eje seleccionado. \n" -#~ "Derecho del ratón: \t Cambiar la alineación. \n" -#~ "Doble clic: \t Centrar el átomo en el origen." - -#~ msgid "Axis:" -#~ msgstr "Eje:" - #~ msgid "Align:" #~ msgstr "Alinear:" #~ msgid "Everything" #~ msgstr "Todo" -#~ msgid "Align" -#~ msgstr "Alinear" - -#~ msgid "Align molecules to a Cartesian axis" -#~ msgstr "Alinear moléculas a un eje Cartesiano" - -#~ msgid "Align Settings" -#~ msgstr "Configuraciones de Alineacion" - #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" diff --git a/i18n/et.po b/i18n/et.po index c9390ebf0a..ed7cc843ef 100644 --- a/i18n/et.po +++ b/i18n/et.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-08 02:02+0000\n" +"POT-Creation-Date: 2023-10-15 02:02+0000\n" "PO-Revision-Date: 2016-06-10 06:31+0000\n" "Last-Translator: Avogadro Team \n" "Language-Team: Estonian \n" @@ -955,60 +955,65 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:52 +#: qtgui/fileformatdialog.cpp:48 +msgid "" +"The file name contains invalid characters. Please choose another file name." +msgstr "" + +#: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:100 +#: qtgui/fileformatdialog.cpp:108 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:114 +#: qtgui/fileformatdialog.cpp:122 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:163 +#: qtgui/fileformatdialog.cpp:171 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:164 +#: qtgui/fileformatdialog.cpp:172 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:168 +#: qtgui/fileformatdialog.cpp:176 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:169 +#: qtgui/fileformatdialog.cpp:177 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:173 +#: qtgui/fileformatdialog.cpp:181 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:174 +#: qtgui/fileformatdialog.cpp:182 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:179 +#: qtgui/fileformatdialog.cpp:187 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:279 +#: qtgui/fileformatdialog.cpp:287 msgid "All files" msgstr "" -#: qtgui/fileformatdialog.cpp:282 +#: qtgui/fileformatdialog.cpp:290 msgid "All supported formats" msgstr "" @@ -1472,6 +1477,51 @@ msgstr "" msgid "ThreeDMol" msgstr "" +#: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 +msgid "Align" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:56 +msgid "" +"Align Molecules\n" +"\n" +"Left Mouse: \tSelect up to two atoms.\n" +"\tThe first atom is centered at the origin.\n" +"\tThe second atom is aligned to the selected axis.\n" +"Right Mouse: \tReset alignment.\n" +"Double-Click: \tCenter the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:75 +#, fuzzy +#| msgid "X Axis" +msgid "Axis:" +msgstr "X-telg" + +#: qtplugins/aligntool/aligntool.cpp:152 +msgid "Align at Origin" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:188 +msgid "Align to Axis" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:304 +msgid "Center the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:307 +msgid "Rotate the molecule to align the atom to the specified axis." +msgstr "" + +#: qtplugins/aligntool/aligntool.h:30 +msgid "Align tool" +msgstr "" + +#: qtplugins/aligntool/aligntool.h:33 +msgid "Align molecules to a Cartesian axis" +msgstr "" + #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" msgstr "" @@ -7517,9 +7567,6 @@ msgstr "" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Vali aatomid, sidemed, jäägid..." -#~ msgid "X Axis" -#~ msgstr "X-telg" - #~ msgid "Y Axis" #~ msgstr "Y-telg" diff --git a/i18n/eu.po b/i18n/eu.po index 1a97e2eb25..121865155d 100644 --- a/i18n/eu.po +++ b/i18n/eu.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-08 02:02+0000\n" +"POT-Creation-Date: 2023-10-15 02:02+0000\n" "PO-Revision-Date: 2022-06-22 19:15+0000\n" "Last-Translator: Julen Larrucea \n" "Language-Team: Basque \n" "Language-Team: Finnish \n" @@ -956,61 +956,66 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:52 +#: qtgui/fileformatdialog.cpp:48 +msgid "" +"The file name contains invalid characters. Please choose another file name." +msgstr "" + +#: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:100 +#: qtgui/fileformatdialog.cpp:108 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:114 +#: qtgui/fileformatdialog.cpp:122 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:163 +#: qtgui/fileformatdialog.cpp:171 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:164 +#: qtgui/fileformatdialog.cpp:172 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:168 +#: qtgui/fileformatdialog.cpp:176 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:169 +#: qtgui/fileformatdialog.cpp:177 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:173 +#: qtgui/fileformatdialog.cpp:181 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:174 +#: qtgui/fileformatdialog.cpp:182 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:179 +#: qtgui/fileformatdialog.cpp:187 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:279 +#: qtgui/fileformatdialog.cpp:287 #, fuzzy msgid "All files" msgstr "Kaikki tiedostot" -#: qtgui/fileformatdialog.cpp:282 +#: qtgui/fileformatdialog.cpp:290 msgid "All supported formats" msgstr "" @@ -1486,6 +1491,51 @@ msgstr "" msgid "ThreeDMol" msgstr "" +#: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 +msgid "Align" +msgstr "Kohdista" + +#: qtplugins/aligntool/aligntool.cpp:56 +msgid "" +"Align Molecules\n" +"\n" +"Left Mouse: \tSelect up to two atoms.\n" +"\tThe first atom is centered at the origin.\n" +"\tThe second atom is aligned to the selected axis.\n" +"Right Mouse: \tReset alignment.\n" +"Double-Click: \tCenter the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:75 +msgid "Axis:" +msgstr "Akseli:" + +#: qtplugins/aligntool/aligntool.cpp:152 +msgid "Align at Origin" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:188 +msgid "Align to Axis" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:304 +msgid "Center the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:307 +msgid "Rotate the molecule to align the atom to the specified axis." +msgstr "" + +#: qtplugins/aligntool/aligntool.h:30 +#, fuzzy +#| msgid "Align" +msgid "Align tool" +msgstr "Kohdista" + +#: qtplugins/aligntool/aligntool.h:33 +msgid "Align molecules to a Cartesian axis" +msgstr "" + #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" msgstr "" @@ -7659,18 +7709,12 @@ msgstr "" #~ msgid "Tools" #~ msgstr "Työkalut" -#~ msgid "Axis:" -#~ msgstr "Akseli:" - #~ msgid "Align:" #~ msgstr "Kohdista:" #~ msgid "Everything" #~ msgstr "Kaikki" -#~ msgid "Align" -#~ msgstr "Kohdista" - #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Ei voitu asettaa voimakenttää..." diff --git a/i18n/fr.po b/i18n/fr.po index b0bf06a9d6..9079abc980 100644 --- a/i18n/fr.po +++ b/i18n/fr.po @@ -8,7 +8,7 @@ msgid "" msgstr "" "Project-Id-Version: PACKAGE VERSION\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-08 02:02+0000\n" +"POT-Creation-Date: 2023-10-15 02:02+0000\n" "PO-Revision-Date: 2023-10-13 13:02+0000\n" "Last-Translator: Norwid Behrnd \n" "Language-Team: French \n" "Language-Team: Galician \n" @@ -956,62 +956,67 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:52 +#: qtgui/fileformatdialog.cpp:48 +msgid "" +"The file name contains invalid characters. Please choose another file name." +msgstr "" + +#: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:100 +#: qtgui/fileformatdialog.cpp:108 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:114 +#: qtgui/fileformatdialog.cpp:122 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:163 +#: qtgui/fileformatdialog.cpp:171 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:164 +#: qtgui/fileformatdialog.cpp:172 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:168 +#: qtgui/fileformatdialog.cpp:176 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:169 +#: qtgui/fileformatdialog.cpp:177 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:173 +#: qtgui/fileformatdialog.cpp:181 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:174 +#: qtgui/fileformatdialog.cpp:182 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:179 +#: qtgui/fileformatdialog.cpp:187 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:279 +#: qtgui/fileformatdialog.cpp:287 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Todos os ficheiros" -#: qtgui/fileformatdialog.cpp:282 +#: qtgui/fileformatdialog.cpp:290 msgid "All supported formats" msgstr "" @@ -1499,6 +1504,57 @@ msgstr "Exportar" msgid "ThreeDMol" msgstr "" +#: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 +msgid "Align" +msgstr "Aliñar" + +#: qtplugins/aligntool/aligntool.cpp:56 +msgid "" +"Align Molecules\n" +"\n" +"Left Mouse: \tSelect up to two atoms.\n" +"\tThe first atom is centered at the origin.\n" +"\tThe second atom is aligned to the selected axis.\n" +"Right Mouse: \tReset alignment.\n" +"Double-Click: \tCenter the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:75 +msgid "Axis:" +msgstr "Eixe:" + +#: qtplugins/aligntool/aligntool.cpp:152 +#, fuzzy +#| msgid "Align Settings" +msgid "Align at Origin" +msgstr "Configuración do aliñamento" + +#: qtplugins/aligntool/aligntool.cpp:188 +#, fuzzy +#| msgid "Align Settings" +msgid "Align to Axis" +msgstr "Configuración do aliñamento" + +#: qtplugins/aligntool/aligntool.cpp:304 +#, fuzzy +#| msgid "selected atom to origin" +msgid "Center the atom at the origin." +msgstr "do atomo seleccionado na orixe" + +#: qtplugins/aligntool/aligntool.cpp:307 +msgid "Rotate the molecule to align the atom to the specified axis." +msgstr "" + +#: qtplugins/aligntool/aligntool.h:30 +#, fuzzy +#| msgid "Align" +msgid "Align tool" +msgstr "Aliñar" + +#: qtplugins/aligntool/aligntool.h:33 +msgid "Align molecules to a Cartesian axis" +msgstr "Aliña moléculas sobre un eixo cartesiano" + #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" msgstr "" @@ -9206,24 +9262,12 @@ msgstr "" #~ msgid "Tools" #~ msgstr "Utilidades" -#~ msgid "Axis:" -#~ msgstr "Eixe:" - #~ msgid "Align:" #~ msgstr "Aliñar:" #~ msgid "Everything" #~ msgstr "Todo" -#~ msgid "Align" -#~ msgstr "Aliñar" - -#~ msgid "Align molecules to a Cartesian axis" -#~ msgstr "Aliña moléculas sobre un eixo cartesiano" - -#~ msgid "Align Settings" -#~ msgstr "Configuración do aliñamento" - #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Non foi posíbel configurar o campo de forzas..." @@ -9677,9 +9721,6 @@ msgstr "" #~ msgid "by arbitrary vector" #~ msgstr "segundo un vector arbitrario" -#~ msgid "selected atom to origin" -#~ msgstr "do atomo seleccionado na orixe" - #~ msgid "Translation vector:" #~ msgstr "Vector de translación :" diff --git a/i18n/he.po b/i18n/he.po index ef6675df19..47a518d5ff 100644 --- a/i18n/he.po +++ b/i18n/he.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-08 02:02+0000\n" +"POT-Creation-Date: 2023-10-15 02:02+0000\n" "PO-Revision-Date: 2016-06-10 06:32+0000\n" "Last-Translator: Avogadro Team \n" "Language-Team: Hebrew \n" @@ -955,60 +955,65 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:52 +#: qtgui/fileformatdialog.cpp:48 +msgid "" +"The file name contains invalid characters. Please choose another file name." +msgstr "" + +#: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:100 +#: qtgui/fileformatdialog.cpp:108 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:114 +#: qtgui/fileformatdialog.cpp:122 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:163 +#: qtgui/fileformatdialog.cpp:171 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:164 +#: qtgui/fileformatdialog.cpp:172 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:168 +#: qtgui/fileformatdialog.cpp:176 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:169 +#: qtgui/fileformatdialog.cpp:177 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:173 +#: qtgui/fileformatdialog.cpp:181 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:174 +#: qtgui/fileformatdialog.cpp:182 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:179 +#: qtgui/fileformatdialog.cpp:187 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:279 +#: qtgui/fileformatdialog.cpp:287 msgid "All files" msgstr "" -#: qtgui/fileformatdialog.cpp:282 +#: qtgui/fileformatdialog.cpp:290 msgid "All supported formats" msgstr "" @@ -1472,6 +1477,51 @@ msgstr "" msgid "ThreeDMol" msgstr "" +#: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 +msgid "Align" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:56 +msgid "" +"Align Molecules\n" +"\n" +"Left Mouse: \tSelect up to two atoms.\n" +"\tThe first atom is centered at the origin.\n" +"\tThe second atom is aligned to the selected axis.\n" +"Right Mouse: \tReset alignment.\n" +"Double-Click: \tCenter the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:75 +msgid "Axis:" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:152 +msgid "Align at Origin" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:188 +msgid "Align to Axis" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:304 +#, fuzzy +#| msgid "Renders the x, y, and z axes at the origin" +msgid "Center the atom at the origin." +msgstr "מרנדר את צירי x,y,z במקור" + +#: qtplugins/aligntool/aligntool.cpp:307 +msgid "Rotate the molecule to align the atom to the specified axis." +msgstr "" + +#: qtplugins/aligntool/aligntool.h:30 +msgid "Align tool" +msgstr "" + +#: qtplugins/aligntool/aligntool.h:33 +msgid "Align molecules to a Cartesian axis" +msgstr "" + #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" msgstr "" @@ -7339,9 +7389,6 @@ msgstr "" #~ msgid "Axes" #~ msgstr "צירים" -#~ msgid "Renders the x, y, and z axes at the origin" -#~ msgstr "מרנדר את צירי x,y,z במקור" - #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "מרנדר פרימיטיבים בעזרת כדורים (אטומים) ומקלות (קשרים)" diff --git a/i18n/hi.po b/i18n/hi.po index 0a109ee95b..f84a3f5c20 100644 --- a/i18n/hi.po +++ b/i18n/hi.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-08 02:02+0000\n" +"POT-Creation-Date: 2023-10-15 02:02+0000\n" "PO-Revision-Date: 2016-06-10 06:33+0000\n" "Last-Translator: Rahul Krishna \n" "Language-Team: Hindi \n" @@ -955,60 +955,65 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:52 +#: qtgui/fileformatdialog.cpp:48 +msgid "" +"The file name contains invalid characters. Please choose another file name." +msgstr "" + +#: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:100 +#: qtgui/fileformatdialog.cpp:108 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:114 +#: qtgui/fileformatdialog.cpp:122 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:163 +#: qtgui/fileformatdialog.cpp:171 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:164 +#: qtgui/fileformatdialog.cpp:172 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:168 +#: qtgui/fileformatdialog.cpp:176 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:169 +#: qtgui/fileformatdialog.cpp:177 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:173 +#: qtgui/fileformatdialog.cpp:181 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:174 +#: qtgui/fileformatdialog.cpp:182 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:179 +#: qtgui/fileformatdialog.cpp:187 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:279 +#: qtgui/fileformatdialog.cpp:287 msgid "All files" msgstr "" -#: qtgui/fileformatdialog.cpp:282 +#: qtgui/fileformatdialog.cpp:290 msgid "All supported formats" msgstr "" @@ -1467,6 +1472,49 @@ msgstr "" msgid "ThreeDMol" msgstr "" +#: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 +msgid "Align" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:56 +msgid "" +"Align Molecules\n" +"\n" +"Left Mouse: \tSelect up to two atoms.\n" +"\tThe first atom is centered at the origin.\n" +"\tThe second atom is aligned to the selected axis.\n" +"Right Mouse: \tReset alignment.\n" +"Double-Click: \tCenter the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:75 +msgid "Axis:" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:152 +msgid "Align at Origin" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:188 +msgid "Align to Axis" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:304 +msgid "Center the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:307 +msgid "Rotate the molecule to align the atom to the specified axis." +msgstr "" + +#: qtplugins/aligntool/aligntool.h:30 +msgid "Align tool" +msgstr "" + +#: qtplugins/aligntool/aligntool.h:33 +msgid "Align molecules to a Cartesian axis" +msgstr "" + #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" msgstr "" diff --git a/i18n/hr.po b/i18n/hr.po index 0db256e77d..057e5a95bf 100644 --- a/i18n/hr.po +++ b/i18n/hr.po @@ -6,7 +6,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-08 02:02+0000\n" +"POT-Creation-Date: 2023-10-15 02:02+0000\n" "PO-Revision-Date: 2023-09-26 15:02+0000\n" "Last-Translator: Milo Ivir \n" "Language-Team: Croatian \n" "Language-Team: Hungarian \n" "Language-Team: Indonesian \n" "Language-Team: Italian \n" "Language-Team: Japanese \n" "Language-Team: Georgian \n" "Language-Team: Kannada \n" "Language-Team: Korean \n" "Language-Team: Malay \n" "Language-Team: Norwegian Bokmål \n" "Language-Team: Dutch \n" "Language-Team: Occitan (post 1500) \n" @@ -956,61 +956,66 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:52 +#: qtgui/fileformatdialog.cpp:48 +msgid "" +"The file name contains invalid characters. Please choose another file name." +msgstr "" + +#: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:100 +#: qtgui/fileformatdialog.cpp:108 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:114 +#: qtgui/fileformatdialog.cpp:122 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:163 +#: qtgui/fileformatdialog.cpp:171 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:164 +#: qtgui/fileformatdialog.cpp:172 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:168 +#: qtgui/fileformatdialog.cpp:176 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:169 +#: qtgui/fileformatdialog.cpp:177 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:173 +#: qtgui/fileformatdialog.cpp:181 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:174 +#: qtgui/fileformatdialog.cpp:182 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:179 +#: qtgui/fileformatdialog.cpp:187 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:279 +#: qtgui/fileformatdialog.cpp:287 #, fuzzy msgid "All files" msgstr "Totes los fichièrs" -#: qtgui/fileformatdialog.cpp:282 +#: qtgui/fileformatdialog.cpp:290 msgid "All supported formats" msgstr "" @@ -1489,6 +1494,57 @@ msgstr "Exportar" msgid "ThreeDMol" msgstr "" +#: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 +msgid "Align" +msgstr "Alinhament" + +#: qtplugins/aligntool/aligntool.cpp:56 +msgid "" +"Align Molecules\n" +"\n" +"Left Mouse: \tSelect up to two atoms.\n" +"\tThe first atom is centered at the origin.\n" +"\tThe second atom is aligned to the selected axis.\n" +"Right Mouse: \tReset alignment.\n" +"Double-Click: \tCenter the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:75 +msgid "Axis:" +msgstr "Axes :" + +#: qtplugins/aligntool/aligntool.cpp:152 +#, fuzzy +#| msgid "Align Settings" +msgid "Align at Origin" +msgstr "Paramètres d'alinhament" + +#: qtplugins/aligntool/aligntool.cpp:188 +#, fuzzy +#| msgid "Align Settings" +msgid "Align to Axis" +msgstr "Paramètres d'alinhament" + +#: qtplugins/aligntool/aligntool.cpp:304 +#, fuzzy +#| msgid "Renders the x, y, and z axes at the origin" +msgid "Center the atom at the origin." +msgstr "Afichar los axes x, y e z a l'origina" + +#: qtplugins/aligntool/aligntool.cpp:307 +msgid "Rotate the molecule to align the atom to the specified axis." +msgstr "" + +#: qtplugins/aligntool/aligntool.h:30 +#, fuzzy +#| msgid "Align" +msgid "Align tool" +msgstr "Alinhament" + +#: qtplugins/aligntool/aligntool.h:33 +msgid "Align molecules to a Cartesian axis" +msgstr "" + #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" msgstr "" @@ -7666,9 +7722,6 @@ msgstr "" #~ msgid "Axes" #~ msgstr "Axes" -#~ msgid "Renders the x, y, and z axes at the origin" -#~ msgstr "Afichar los axes x, y e z a l'origina" - #~ msgid "Hydrogen Bond" #~ msgstr "Ligason Idrogèn" @@ -8061,21 +8114,12 @@ msgstr "" #~ msgid "Tools" #~ msgstr "Aisinas" -#~ msgid "Axis:" -#~ msgstr "Axes :" - #~ msgid "Align:" #~ msgstr "Alinhar :" #~ msgid "Everything" #~ msgstr "Tot" -#~ msgid "Align" -#~ msgstr "Alinhament" - -#~ msgid "Align Settings" -#~ msgstr "Paramètres d'alinhament" - #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt : E = %1 %2 (dE = %3)" diff --git a/i18n/pl.po b/i18n/pl.po index c9cbff76c5..16983fcd38 100644 --- a/i18n/pl.po +++ b/i18n/pl.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-08 02:02+0000\n" +"POT-Creation-Date: 2023-10-15 02:02+0000\n" "PO-Revision-Date: 2023-06-20 10:49+0000\n" "Last-Translator: Jakub Brzeski \n" "Language-Team: Polish \n" "Language-Team: Portuguese \n" "Language-Team: Portuguese (Brazil) \n" "Language-Team: Romanian \n" "Language-Team: Russian \n" "Language-Team: Sanskrit \n" "Language-Team: Slovak \n" @@ -955,62 +955,67 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:52 +#: qtgui/fileformatdialog.cpp:48 +msgid "" +"The file name contains invalid characters. Please choose another file name." +msgstr "" + +#: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:100 +#: qtgui/fileformatdialog.cpp:108 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:114 +#: qtgui/fileformatdialog.cpp:122 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:163 +#: qtgui/fileformatdialog.cpp:171 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:164 +#: qtgui/fileformatdialog.cpp:172 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:168 +#: qtgui/fileformatdialog.cpp:176 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:169 +#: qtgui/fileformatdialog.cpp:177 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:173 +#: qtgui/fileformatdialog.cpp:181 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:174 +#: qtgui/fileformatdialog.cpp:182 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:179 +#: qtgui/fileformatdialog.cpp:187 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:279 +#: qtgui/fileformatdialog.cpp:287 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Všetky súbory" -#: qtgui/fileformatdialog.cpp:282 +#: qtgui/fileformatdialog.cpp:290 msgid "All supported formats" msgstr "" @@ -1488,6 +1493,53 @@ msgstr "Export" msgid "ThreeDMol" msgstr "" +#: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 +msgid "Align" +msgstr "Zarovnať" + +#: qtplugins/aligntool/aligntool.cpp:56 +msgid "" +"Align Molecules\n" +"\n" +"Left Mouse: \tSelect up to two atoms.\n" +"\tThe first atom is centered at the origin.\n" +"\tThe second atom is aligned to the selected axis.\n" +"Right Mouse: \tReset alignment.\n" +"Double-Click: \tCenter the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:75 +msgid "Axis:" +msgstr "Osa:" + +#: qtplugins/aligntool/aligntool.cpp:152 +msgid "Align at Origin" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:188 +msgid "Align to Axis" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:304 +#, fuzzy +#| msgid "Renders the x, y, and z axes at the origin" +msgid "Center the atom at the origin." +msgstr "Vykresliť osi x,y, a z na začiatku sústavy" + +#: qtplugins/aligntool/aligntool.cpp:307 +msgid "Rotate the molecule to align the atom to the specified axis." +msgstr "" + +#: qtplugins/aligntool/aligntool.h:30 +#, fuzzy +#| msgid "Align" +msgid "Align tool" +msgstr "Zarovnať" + +#: qtplugins/aligntool/aligntool.h:33 +msgid "Align molecules to a Cartesian axis" +msgstr "" + #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" msgstr "" @@ -7682,9 +7734,6 @@ msgstr "" #~ msgid "Axes" #~ msgstr "Osy" -#~ msgid "Renders the x, y, and z axes at the origin" -#~ msgstr "Vykresliť osi x,y, a z na začiatku sústavy" - #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Vykreslí jednoducho pomocou guľôčok (atómy) a tyčiniek (väzby)" @@ -8160,18 +8209,12 @@ msgstr "" #~ msgid "Tools" #~ msgstr "Nástroje" -#~ msgid "Axis:" -#~ msgstr "Osa:" - #~ msgid "Align:" #~ msgstr "Zarovnať:" #~ msgid "Everything" #~ msgstr "Všetko" -#~ msgid "Align" -#~ msgstr "Zarovnať" - #~ msgid "Algorithm:" #~ msgstr "Algoritmy" diff --git a/i18n/sl.po b/i18n/sl.po index 9537763f0c..9dd1e8e097 100644 --- a/i18n/sl.po +++ b/i18n/sl.po @@ -8,7 +8,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-08 02:02+0000\n" +"POT-Creation-Date: 2023-10-15 02:02+0000\n" "PO-Revision-Date: 2016-06-10 06:51+0000\n" "Last-Translator: Matej Urbančič \n" "Language-Team: Slovenian \n" @@ -960,62 +960,67 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:52 +#: qtgui/fileformatdialog.cpp:48 +msgid "" +"The file name contains invalid characters. Please choose another file name." +msgstr "" + +#: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:100 +#: qtgui/fileformatdialog.cpp:108 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:114 +#: qtgui/fileformatdialog.cpp:122 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:163 +#: qtgui/fileformatdialog.cpp:171 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:164 +#: qtgui/fileformatdialog.cpp:172 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:168 +#: qtgui/fileformatdialog.cpp:176 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:169 +#: qtgui/fileformatdialog.cpp:177 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:173 +#: qtgui/fileformatdialog.cpp:181 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:174 +#: qtgui/fileformatdialog.cpp:182 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:179 +#: qtgui/fileformatdialog.cpp:187 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:279 +#: qtgui/fileformatdialog.cpp:287 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Vse Datoteke" -#: qtgui/fileformatdialog.cpp:282 +#: qtgui/fileformatdialog.cpp:290 msgid "All supported formats" msgstr "" @@ -1504,6 +1509,64 @@ msgstr "Izvozi" msgid "ThreeDMol" msgstr "" +#: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 +msgid "Align" +msgstr "Poravnava" + +#: qtplugins/aligntool/aligntool.cpp:56 +msgid "" +"Align Molecules\n" +"\n" +"Left Mouse: \tSelect up to two atoms.\n" +"\tThe first atom is centered at the origin.\n" +"\tThe second atom is aligned to the selected axis.\n" +"Right Mouse: \tReset alignment.\n" +"Double-Click: \tCenter the atom at the origin." +msgstr "" +"Poravnava molekul\n" +"\n" +"Levi gumb miške: \tIzbor do dveh atomov.\n" +"\tPrvi izbran atom je postavljen v izhodiščno točko.\n" +"\tDrugi izbran atom je poravnan na izbrano os.\n" +"Desni klik miške: \tPočisti poravnavo.\n" +"Dvojni klik: \tPostavi atom v izhodiščno točko." + +#: qtplugins/aligntool/aligntool.cpp:75 +msgid "Axis:" +msgstr "Os:" + +#: qtplugins/aligntool/aligntool.cpp:152 +#, fuzzy +#| msgid "Align Settings" +msgid "Align at Origin" +msgstr "Nastavitve poravnave" + +#: qtplugins/aligntool/aligntool.cpp:188 +#, fuzzy +#| msgid "Align Settings" +msgid "Align to Axis" +msgstr "Nastavitve poravnave" + +#: qtplugins/aligntool/aligntool.cpp:304 +#, fuzzy +#| msgid "selected atom to origin" +msgid "Center the atom at the origin." +msgstr "izbrani atomi v središče osnovne celice" + +#: qtplugins/aligntool/aligntool.cpp:307 +msgid "Rotate the molecule to align the atom to the specified axis." +msgstr "" + +#: qtplugins/aligntool/aligntool.h:30 +#, fuzzy +#| msgid "Align" +msgid "Align tool" +msgstr "Poravnava" + +#: qtplugins/aligntool/aligntool.h:33 +msgid "Align molecules to a Cartesian axis" +msgstr "Poravnaj molekule na kartezijsko os" + #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" msgstr "" @@ -9478,41 +9541,12 @@ msgstr "" #~ msgid "Tools" #~ msgstr "Orodja" -#~ msgid "" -#~ "Align Molecules\n" -#~ "\n" -#~ "Left Mouse: \tSelect up to two atoms.\n" -#~ "\tThe first atom is centered at the origin.\n" -#~ "\tThe second atom is aligned to the selected axis.\n" -#~ "Right Mouse: \tReset alignment.\n" -#~ "Double-Click: \tCenter the atom at the origin." -#~ msgstr "" -#~ "Poravnava molekul\n" -#~ "\n" -#~ "Levi gumb miške: \tIzbor do dveh atomov.\n" -#~ "\tPrvi izbran atom je postavljen v izhodiščno točko.\n" -#~ "\tDrugi izbran atom je poravnan na izbrano os.\n" -#~ "Desni klik miške: \tPočisti poravnavo.\n" -#~ "Dvojni klik: \tPostavi atom v izhodiščno točko." - -#~ msgid "Axis:" -#~ msgstr "Os:" - #~ msgid "Align:" #~ msgstr "Poravnava:" #~ msgid "Everything" #~ msgstr "Vse" -#~ msgid "Align" -#~ msgstr "Poravnava" - -#~ msgid "Align molecules to a Cartesian axis" -#~ msgstr "Poravnaj molekule na kartezijsko os" - -#~ msgid "Align Settings" -#~ msgstr "Nastavitve poravnave" - #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" @@ -10061,9 +10095,6 @@ msgstr "" #~ msgid "by arbitrary vector" #~ msgstr "po poljubnem vektorju" -#~ msgid "selected atom to origin" -#~ msgstr "izbrani atomi v središče osnovne celice" - #~ msgid "selected atom to unit cell center" #~ msgstr "izbrani atomi v središče osnovne celice" diff --git a/i18n/sq.po b/i18n/sq.po index 6dae773b65..7caf252965 100644 --- a/i18n/sq.po +++ b/i18n/sq.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-08 02:02+0000\n" +"POT-Creation-Date: 2023-10-15 02:02+0000\n" "PO-Revision-Date: 2021-06-16 17:34+0000\n" "Last-Translator: Dillon Schultz \n" "Language-Team: Albanian \n" "Language-Team: Serbian \n" "Language-Team: Swedish \n" @@ -955,60 +955,65 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:52 +#: qtgui/fileformatdialog.cpp:48 +msgid "" +"The file name contains invalid characters. Please choose another file name." +msgstr "" + +#: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:100 +#: qtgui/fileformatdialog.cpp:108 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:114 +#: qtgui/fileformatdialog.cpp:122 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:163 +#: qtgui/fileformatdialog.cpp:171 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:164 +#: qtgui/fileformatdialog.cpp:172 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:168 +#: qtgui/fileformatdialog.cpp:176 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:169 +#: qtgui/fileformatdialog.cpp:177 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:173 +#: qtgui/fileformatdialog.cpp:181 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:174 +#: qtgui/fileformatdialog.cpp:182 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:179 +#: qtgui/fileformatdialog.cpp:187 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:279 +#: qtgui/fileformatdialog.cpp:287 msgid "All files" msgstr "" -#: qtgui/fileformatdialog.cpp:282 +#: qtgui/fileformatdialog.cpp:290 msgid "All supported formats" msgstr "" @@ -1478,6 +1483,51 @@ msgstr "Exportera" msgid "ThreeDMol" msgstr "" +#: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 +msgid "Align" +msgstr "Rada upp" + +#: qtplugins/aligntool/aligntool.cpp:56 +msgid "" +"Align Molecules\n" +"\n" +"Left Mouse: \tSelect up to two atoms.\n" +"\tThe first atom is centered at the origin.\n" +"\tThe second atom is aligned to the selected axis.\n" +"Right Mouse: \tReset alignment.\n" +"Double-Click: \tCenter the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:75 +msgid "Axis:" +msgstr "Axel:" + +#: qtplugins/aligntool/aligntool.cpp:152 +msgid "Align at Origin" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:188 +msgid "Align to Axis" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:304 +msgid "Center the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:307 +msgid "Rotate the molecule to align the atom to the specified axis." +msgstr "" + +#: qtplugins/aligntool/aligntool.h:30 +#, fuzzy +#| msgid "Align" +msgid "Align tool" +msgstr "Rada upp" + +#: qtplugins/aligntool/aligntool.h:33 +msgid "Align molecules to a Cartesian axis" +msgstr "" + #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" msgstr "" @@ -7550,18 +7600,12 @@ msgstr "" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Uppskattat dipolmoment (D):" -#~ msgid "Axis:" -#~ msgstr "Axel:" - #~ msgid "Align:" #~ msgstr "Räta upp" #~ msgid "Everything" #~ msgstr "Allting" -#~ msgid "Align" -#~ msgstr "Rada upp" - #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "Automatisk optimering: Kunde inte ställa in kraftfält..." diff --git a/i18n/ta.po b/i18n/ta.po index 4f295202a3..6e9b629ebb 100644 --- a/i18n/ta.po +++ b/i18n/ta.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-08 02:02+0000\n" +"POT-Creation-Date: 2023-10-15 02:02+0000\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: Automatically generated\n" "Language-Team: none\n" @@ -954,60 +954,65 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:52 +#: qtgui/fileformatdialog.cpp:48 +msgid "" +"The file name contains invalid characters. Please choose another file name." +msgstr "" + +#: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:100 +#: qtgui/fileformatdialog.cpp:108 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:114 +#: qtgui/fileformatdialog.cpp:122 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:163 +#: qtgui/fileformatdialog.cpp:171 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:164 +#: qtgui/fileformatdialog.cpp:172 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:168 +#: qtgui/fileformatdialog.cpp:176 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:169 +#: qtgui/fileformatdialog.cpp:177 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:173 +#: qtgui/fileformatdialog.cpp:181 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:174 +#: qtgui/fileformatdialog.cpp:182 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:179 +#: qtgui/fileformatdialog.cpp:187 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:279 +#: qtgui/fileformatdialog.cpp:287 msgid "All files" msgstr "" -#: qtgui/fileformatdialog.cpp:282 +#: qtgui/fileformatdialog.cpp:290 msgid "All supported formats" msgstr "" @@ -1464,6 +1469,49 @@ msgstr "" msgid "ThreeDMol" msgstr "" +#: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 +msgid "Align" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:56 +msgid "" +"Align Molecules\n" +"\n" +"Left Mouse: \tSelect up to two atoms.\n" +"\tThe first atom is centered at the origin.\n" +"\tThe second atom is aligned to the selected axis.\n" +"Right Mouse: \tReset alignment.\n" +"Double-Click: \tCenter the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:75 +msgid "Axis:" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:152 +msgid "Align at Origin" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:188 +msgid "Align to Axis" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:304 +msgid "Center the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:307 +msgid "Rotate the molecule to align the atom to the specified axis." +msgstr "" + +#: qtplugins/aligntool/aligntool.h:30 +msgid "Align tool" +msgstr "" + +#: qtplugins/aligntool/aligntool.h:33 +msgid "Align molecules to a Cartesian axis" +msgstr "" + #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" msgstr "" diff --git a/i18n/te.po b/i18n/te.po index 3650531be0..7d2063578e 100644 --- a/i18n/te.po +++ b/i18n/te.po @@ -6,7 +6,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-08 02:02+0000\n" +"POT-Creation-Date: 2023-10-15 02:02+0000\n" "PO-Revision-Date: 2023-10-11 16:27+0000\n" "Last-Translator: Balavamsi Krishna \n" "Language-Team: Telugu \n" "Language-Team: Thai \n" @@ -955,60 +955,65 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:52 +#: qtgui/fileformatdialog.cpp:48 +msgid "" +"The file name contains invalid characters. Please choose another file name." +msgstr "" + +#: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:100 +#: qtgui/fileformatdialog.cpp:108 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:114 +#: qtgui/fileformatdialog.cpp:122 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:163 +#: qtgui/fileformatdialog.cpp:171 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:164 +#: qtgui/fileformatdialog.cpp:172 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:168 +#: qtgui/fileformatdialog.cpp:176 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:169 +#: qtgui/fileformatdialog.cpp:177 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:173 +#: qtgui/fileformatdialog.cpp:181 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:174 +#: qtgui/fileformatdialog.cpp:182 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:179 +#: qtgui/fileformatdialog.cpp:187 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:279 +#: qtgui/fileformatdialog.cpp:287 msgid "All files" msgstr "" -#: qtgui/fileformatdialog.cpp:282 +#: qtgui/fileformatdialog.cpp:290 msgid "All supported formats" msgstr "" @@ -1465,6 +1470,49 @@ msgstr "" msgid "ThreeDMol" msgstr "" +#: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 +msgid "Align" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:56 +msgid "" +"Align Molecules\n" +"\n" +"Left Mouse: \tSelect up to two atoms.\n" +"\tThe first atom is centered at the origin.\n" +"\tThe second atom is aligned to the selected axis.\n" +"Right Mouse: \tReset alignment.\n" +"Double-Click: \tCenter the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:75 +msgid "Axis:" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:152 +msgid "Align at Origin" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:188 +msgid "Align to Axis" +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:304 +msgid "Center the atom at the origin." +msgstr "" + +#: qtplugins/aligntool/aligntool.cpp:307 +msgid "Rotate the molecule to align the atom to the specified axis." +msgstr "" + +#: qtplugins/aligntool/aligntool.h:30 +msgid "Align tool" +msgstr "" + +#: qtplugins/aligntool/aligntool.h:33 +msgid "Align molecules to a Cartesian axis" +msgstr "" + #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" msgstr "" diff --git a/i18n/tr.po b/i18n/tr.po index 75bbca0ac2..2d4a59f4a9 100644 --- a/i18n/tr.po +++ b/i18n/tr.po @@ -13,7 +13,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-08 02:02+0000\n" +"POT-Creation-Date: 2023-10-15 02:02+0000\n" "PO-Revision-Date: 2023-05-20 18:51+0000\n" "Last-Translator: Hıncal Gökhan BAKIR \n" "Language-Team: Turkish \n" "Language-Team: Uyghur \n" "Language-Team: Ukrainian \n" "Language-Team: Vietnamese \n" "Language-Team: Chinese (Simplified) \n" "Language-Team: Chinese (Traditional) Date: Sun, 15 Oct 2023 11:41:36 +0000 Subject: [PATCH 022/186] Translated using Weblate (Spanish) Currently translated at 100.0% (1448 of 1448 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 24 +++++++++--------------- 1 file changed, 9 insertions(+), 15 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index efb20c8bd8..b19b4c5a37 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -14,8 +14,8 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-15 02:02+0000\n" -"PO-Revision-Date: 2023-10-10 16:03+0000\n" -"Last-Translator: Alejandro Díaz-Moscoso \n" +"PO-Revision-Date: 2023-10-16 12:00+0000\n" +"Last-Translator: gallegonovato \n" "Language-Team: Spanish \n" "Language: es\n" @@ -1026,6 +1026,8 @@ msgstr "Seleccionar ejecutable:" msgid "" "The file name contains invalid characters. Please choose another file name." msgstr "" +"El nombre del archivo contiene caracteres no válidos. Por favor, elije otro " +"nombre para el archivo." #: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." @@ -1594,32 +1596,24 @@ msgid "Axis:" msgstr "Eje:" #: qtplugins/aligntool/aligntool.cpp:152 -#, fuzzy -#| msgid "Align Settings" msgid "Align at Origin" -msgstr "Configuraciones de Alineacion" +msgstr "Alinear desde el comienzo" #: qtplugins/aligntool/aligntool.cpp:188 -#, fuzzy -#| msgid "Align View to Axes" msgid "Align to Axis" -msgstr "Alinear la Vista con los Ejes" +msgstr "Alinear con el eje" #: qtplugins/aligntool/aligntool.cpp:304 -#, fuzzy -#| msgid "Renders the x, y, and z axes at the origin" msgid "Center the atom at the origin." -msgstr "Renderiza los ejes x, y y z en el origen" +msgstr "Centra el átomo en el origen." #: qtplugins/aligntool/aligntool.cpp:307 msgid "Rotate the molecule to align the atom to the specified axis." -msgstr "" +msgstr "Rota la molécula para alinear el átomo con el eje especificado." #: qtplugins/aligntool/aligntool.h:30 -#, fuzzy -#| msgid "Selection tool" msgid "Align tool" -msgstr "Herramienta de selección" +msgstr "Herramienta de alineación" #: qtplugins/aligntool/aligntool.h:33 msgid "Align molecules to a Cartesian axis" From a091bb0ec768940f3e9842f883cfafed45443aca Mon Sep 17 00:00:00 2001 From: ovari Date: Tue, 17 Oct 2023 22:16:29 +0000 Subject: [PATCH 023/186] Translated using Weblate (Hungarian) Currently translated at 100.0% (1448 of 1448 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/hu/ --- i18n/hu.po | 87 +++++++++++++++++++++--------------------------------- 1 file changed, 33 insertions(+), 54 deletions(-) diff --git a/i18n/hu.po b/i18n/hu.po index 37c6e2ab08..466558b698 100644 --- a/i18n/hu.po +++ b/i18n/hu.po @@ -10,7 +10,7 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-15 02:02+0000\n" -"PO-Revision-Date: 2023-09-20 12:35+0000\n" +"PO-Revision-Date: 2023-10-17 23:41+0000\n" "Last-Translator: ovari \n" "Language-Team: Hungarian \n" @@ -19,7 +19,7 @@ msgstr "" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" -"X-Generator: Weblate 5.1-dev\n" +"X-Generator: Weblate 5.1\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:70 @@ -1026,6 +1026,8 @@ msgstr "Végrehajtható fájl kijelölése:" msgid "" "The file name contains invalid characters. Please choose another file name." msgstr "" +"A fájlnév érvénytelen karaktereket tartalmaz. Kérjük, válasszon másik " +"fájlnevet." #: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." @@ -1578,38 +1580,37 @@ msgid "" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" +"Molekulák igazítása\n" +"\n" +"Bal egér: \tVálasszon ki legfeljebb két atomot.\n" +"\tAz első atom középpontjában az origó található.\n" +"\tA második atom a kiválasztott tengelyhez igazodik.\n" +"Jobb egér: \tÁllítsa vissza az igazítást.\n" +"Dupla kattintás: \tAz atom középpontba állítása az origóban." #: qtplugins/aligntool/aligntool.cpp:75 msgid "Axis:" msgstr "Tengely:" #: qtplugins/aligntool/aligntool.cpp:152 -#, fuzzy -#| msgid "Align Settings" msgid "Align at Origin" -msgstr "Rendezés beállításai" +msgstr "Igazítsa az eredethez" #: qtplugins/aligntool/aligntool.cpp:188 -#, fuzzy -#| msgid "Align View to Axes" msgid "Align to Axis" -msgstr "Nézet igazítása a tengelyekhez" +msgstr "Igazítsa a tengelyhez" #: qtplugins/aligntool/aligntool.cpp:304 -#, fuzzy -#| msgid "Renders the x, y, and z axes at the origin" msgid "Center the atom at the origin." -msgstr "x,y, és z tengelyek renderelése a kiinduláshoz" +msgstr "Központosítsa az atomot az eredetre." #: qtplugins/aligntool/aligntool.cpp:307 msgid "Rotate the molecule to align the atom to the specified axis." -msgstr "" +msgstr "Forgassa el a molekulát, hogy az atomot a megadott tengelyhez igazítsa." #: qtplugins/aligntool/aligntool.h:30 -#, fuzzy -#| msgid "Selection tool" msgid "Align tool" -msgstr "Kijelölőeszköz" +msgstr "Igazítóeszköz" #: qtplugins/aligntool/aligntool.h:33 msgid "Align molecules to a Cartesian axis" @@ -2292,10 +2293,8 @@ msgid "Element symbol." msgstr "Kémiai elem szimbóluma." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:397 -#, fuzzy -#| msgid "Invalid atomic number." msgid "Invalid atom label." -msgstr "Érvénytelen atomszám." +msgstr "Érvénytelen atomcímke." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:415 msgid "Invalid atomic index." @@ -5201,27 +5200,6 @@ msgstr "Formátum:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) -#, fuzzy -#| msgid "" -#| "

Specification of format. Each character indicates a " -#| "value to write per atom:

# " -#| "- Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" " -#| "for carbon)
N - Element name " -#| "(e.g. \"Carbon\")
S - " -#| "Element symbol (e.g. \"C\" for carbon)
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate (crystals only)
b - 'b' lattice coordinate (crystals only)
c - 'c' lattice coordinate " -#| "(crystals only)
_ - A " -#| "literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful for optimization " -#| "flags
1 - A literal 1 " -#| "(\"1\"), useful for optimization flags

" msgid "" "

Specification of format. Each character indicates a " "value to write per atom:

# - " @@ -5248,21 +5226,22 @@ msgstr "" "írandó értéket jelzi:

# - " "Atomi tárgymutató (1, 2, …, atomok száma)
Z - Atomszám (pl. „6” a szén esetében)
G - GAMESS-stílusú atomszám (pl. „6.0” a szén " -"esetében)
N - Elem neve (pl. " -"„Szén”)
S - Elem szimbólum (pl. " -"\"C\" a szén esetében)
x - X " -"pozíció koordináta
y - Y " -"pozíció koordináta
z - Z " -"pozíció koordináta
a - a-" -"hálókoordináta (csak kristályok)
b - b-hálókoordináta (csak kristályok)
c - c-hálókoordináta (csak kristályok)
_ - Szó szerinti szóköz („”), hasznos az " -"igazításhoz
0 - Szó szerinti 0 " -"(„0”), hasznos az optimalizálási zászlókhoz
1 - Szó szerinti 1 („1”), hasznos az optimalizálási " -"zászlókhoz

" +"weight:600;\">G - GAMESS-stílusú atomszám (pl. „6.0” a szén esetében)<" +"br/>N - Elem neve (pl. „Szén”)
S - Elem szimbólum (pl. \"C\" a " +"szén esetében)
L - Atomcímke (" +"pl. „C2” a második szénatom, „H1” az első hidrogén)
x - X pozíció koordináta
y - Y pozíció koordináta
z - Z pozíció koordináta
a - a-hálókoordináta (csak kristályok)
b - b-hálókoordináta (csak kristályok)
c - c-hálókoordináta (csak " +"kristályok)
_ - Szó szerinti " +"szóköz („ ”), hasznos az igazításhoz
0 - Szó szerinti 0 („0”), hasznos az optimalizálási zászlókhoz
1 - Szó szerinti 1 („1”), hasznos " +"az optimalizálási zászlókhoz

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) From df5c428f2772d58bff3d6eaf9cfedf6697280d90 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Wed, 18 Oct 2023 22:32:35 -0400 Subject: [PATCH 024/186] Minor fix for scripting orbital rendering - allow integers Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/surfaces/surfaces.cpp | 13 ++++++++----- 1 file changed, 8 insertions(+), 5 deletions(-) diff --git a/avogadro/qtplugins/surfaces/surfaces.cpp b/avogadro/qtplugins/surfaces/surfaces.cpp index 59ce8e13b9..3aed3eaef7 100644 --- a/avogadro/qtplugins/surfaces/surfaces.cpp +++ b/avogadro/qtplugins/surfaces/surfaces.cpp @@ -154,8 +154,14 @@ bool Surfaces::handleCommand(const QString& command, const QVariantMap& options) homo = m_basis->homo(); if (options.contains("orbital")) { // check if options contains "homo" or "lumo" - bool string = options["orbital"].canConvert(); - if (string) { + bool ok = false; + if (options["orbital"].canConvert()) { + // internally, we count orbitals from zero + // if the conversion worked, ok = true + // and we'll skip the next conditional + index = options.value("orbital").toInt(&ok) - 1; + } + if (!ok && options["orbital"].canConvert()) { // should be something like "homo-1" or "lumo+2" QString name = options["orbital"].toString(); QString expression, modifier; @@ -181,9 +187,6 @@ bool Surfaces::handleCommand(const QString& command, const QVariantMap& options) index = index + n; } index = index - 1; // start from zero - } else { - // internally, we count orbitals from zero - index = options.value("index").toInt() - 1; } } bool beta = false; From f3d76c16d9c908094e1e56716f91b16a7da40e0a Mon Sep 17 00:00:00 2001 From: Surajjalpun2002 Date: Thu, 19 Oct 2023 20:39:19 +0530 Subject: [PATCH 025/186] !valid always returns false and hence is unnecessary Signed-off-by: Surajjalpun2002 --- avogadro/core/dihedraliterator.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/avogadro/core/dihedraliterator.cpp b/avogadro/core/dihedraliterator.cpp index d1584ef783..bcfe2016ae 100644 --- a/avogadro/core/dihedraliterator.cpp +++ b/avogadro/core/dihedraliterator.cpp @@ -82,7 +82,7 @@ Dihedral DihedralIterator::operator++() if (valid) { // we have a valid current dihedral, try to find a new "d" for (const auto maybeD : graph.neighbors(c)) { - if (maybeD != a && maybeD != b && (!valid || maybeD > d)) { + if (maybeD != a && maybeD != b && maybeD > d) { m_current = make_tuple(a, b, c, maybeD); return m_current; } From 84588cf587b1e9825be68707b718030109e1711d Mon Sep 17 00:00:00 2001 From: aditya Date: Thu, 5 Oct 2023 01:55:40 +0530 Subject: [PATCH 026/186] Added cjson.py which can be used to read cjson current method added is get_atoms_coords which will get the co-ordinates of all atoms Signed-off-by: aditya Signed-off-by: Aditya Omar --- .vscode/settings.json | 6 +++++ .../__pycache__/__init__.cpython-310.pyc | Bin 0 -> 170 bytes .../__pycache__/cjson.cpython-310.pyc | Bin 0 -> 1546 bytes python/avogadro/cjson.py | 21 ++++++++++++++++++ 4 files changed, 27 insertions(+) create mode 100644 .vscode/settings.json create mode 100644 python/avogadro/__pycache__/__init__.cpython-310.pyc create mode 100644 python/avogadro/__pycache__/cjson.cpython-310.pyc create mode 100644 python/avogadro/cjson.py diff --git a/.vscode/settings.json b/.vscode/settings.json new file mode 100644 index 0000000000..d1ae2711e3 --- /dev/null +++ b/.vscode/settings.json @@ -0,0 +1,6 @@ +{ + "cSpell.words": [ + "avogadrolibs", + "Cjson" + ] +} \ No newline at end of file diff --git a/python/avogadro/__pycache__/__init__.cpython-310.pyc b/python/avogadro/__pycache__/__init__.cpython-310.pyc new file mode 100644 index 0000000000000000000000000000000000000000..31df41019a06161ff8bbf9e791c0857a9a190a52 GIT binary patch literal 170 zcmd1j<>g`kf>p<4Q*D9tV-N=!FabFZKwQiNBvKht7@8Rw8B!R788n%yc+!gUa}_f4 zGE4LdD*ZGWZ?P5>W#*NvWGDjZ0u#TC^)vEwQ}y$66N~f{%kt9`Q;PC)GLwq+3o1)8 j^7G(g`tk7~gW}_XM&07D$<0qG%}KRm1lbHSjE4yTxo#>D literal 0 HcmV?d00001 diff --git a/python/avogadro/__pycache__/cjson.cpython-310.pyc b/python/avogadro/__pycache__/cjson.cpython-310.pyc new file mode 100644 index 0000000000000000000000000000000000000000..05d865b80eb9dfcde7ee8fcd05401da0a08e90b6 GIT binary patch literal 1546 zcmaJ>-EJF26rP#gbvDKc=?|1Zkt~EjmS`N>+bF8k3hpcfNQg*iwB1=d8?ATTnQ@UV z=gL717YOwYTJCzuOYjhL%T->13&eNE-VoG?S)H?Ie$JWmouAQLTWyB%`yU?`-$so6 zNt3GsYwRJ&z7M9D;uSk$Uos_BbjDP)6h~a~Z&)wBz&;z~#IFv4$wQF+46I-{&5nfP zN}REyNJT2fKURrq;h(4tmEzx0o3PmS$)gji>zqTg86=a*Md<;=6PZ5a9UNfu63Dl-I<=6uAUSobEU3rkNad|%GyDQZBY$hGn2sf zU;F)IJudosoSA<1Oph{UbX7jF{mIN7>-uu7A1>XS%zP?kS(i>qikl@*JAA$!aO^c( zIW0FMhLC~+paTewEfCSA`1S2m;rL6j5U==Yw1~a~ZpC7J%ZLN)=gi*u5y0vD9<&aC z=cX6=7~pCjQz(2~=}h%vLpS+!SXRYXnLGBI!RIe9^_|H~sxo&{We5);U$GWxyd@sBnFvrsIh<6z&G&_F7v8ZR=ygw#NJT8iZ{r zot7aSn=oSucFMOoGPl#fYYx1Djt+-hpFmi!m&hLSg{&#Qi!K30yXWp<+6(H#P$WI!#ooT>}i46FZ?L?z8#+DzG8w za#T1Ou>-cTnj(tL!0!M%jcL@4`fH!{3lW{Yqu}#ANlT@DaM$M^#aWitw?UO$xu$ z9B;C?t`tKL2+D(Mf?~3AyGv3i{dcc-Zwm*)+tcPd_&yOG6wCbX{~;Q{X*>;eHZG*} zD7dj!(~9JdluxHwwc0V19YcL$J|)&8_HRE1i99ouNg_) Date: Thu, 5 Oct 2023 02:08:01 +0530 Subject: [PATCH 027/186] changed dict name as it is a keyword Signed-off-by: aditya Signed-off-by: Aditya Omar --- python/avogadro/cjson.py | 8 +++----- 1 file changed, 3 insertions(+), 5 deletions(-) diff --git a/python/avogadro/cjson.py b/python/avogadro/cjson.py index 19659c4a38..6880f5f768 100644 --- a/python/avogadro/cjson.py +++ b/python/avogadro/cjson.py @@ -7,15 +7,13 @@ def __open_file(self, filePath): py_dict_data = json.load(cjsonFile) return py_dict_data def __to_cjson(self, element_coords): - dict = {"element-coordinates" :element_coords} - cjsonData = json.dumps(dict, indent=4) + cjson_dict = {"element-coordinates" :element_coords} + cjsonData = json.dumps(cjson_dict, indent=4) print(cjsonData) def get_atoms_coords(self,filePath): data = self.__open_file(filePath) coords = data["atoms"]["coords"]["3d"] elements = data["atoms"]["elements"]["number"] - # element_coords = {} element_coords = [(*coords[i*3:(i+1)*3], elements[i]) for i in range(0, int(len(coords) / 3))] print(type(element_coords)) - self.__to_cjson(element_coords) - + self.__to_cjson(element_coords) \ No newline at end of file From 5b810163c9cc9b2d42051d3fc790b3f964ec3a98 Mon Sep 17 00:00:00 2001 From: Aditya Omar Date: Thu, 12 Oct 2023 02:30:40 +0530 Subject: [PATCH 028/186] updated .gitignore file for python and removed debugging statements Signed-off-by: Aditya Omar --- .gitignore | 156 +++++++++++++++++- .vscode/settings.json | 6 - .../__pycache__/__init__.cpython-310.pyc | Bin 170 -> 0 bytes .../__pycache__/cjson.cpython-310.pyc | Bin 1546 -> 0 bytes python/avogadro/cjson.py | 7 +- 5 files changed, 158 insertions(+), 11 deletions(-) delete mode 100644 .vscode/settings.json delete mode 100644 python/avogadro/__pycache__/__init__.cpython-310.pyc delete mode 100644 python/avogadro/__pycache__/cjson.cpython-310.pyc diff --git a/.gitignore b/.gitignore index b56ad0a304..c9490da5c1 100644 --- a/.gitignore +++ b/.gitignore @@ -1,2 +1,156 @@ docs/build -.DS_Store \ No newline at end of file +.DS_Store +.vscode +# Byte-compiled / optimized / DLL files +__pycache__/ +*.py[cod] +*$py.class + +# C extensions +*.so + +# Distribution / packaging +.Python +build/ +develop-eggs/ +dist/ +downloads/ +eggs/ +.eggs/ +lib/ +lib64/ +parts/ +sdist/ +var/ +wheels/ +share/python-wheels/ +*.egg-info/ +.installed.cfg +*.egg +MANIFEST + +# PyInstaller +# Usually these files are written by a python script from a template +# before PyInstaller builds the exe, so as to inject date/other infos into it. +*.manifest +*.spec + +# Installer logs +pip-log.txt +pip-delete-this-directory.txt + +# Unit test / coverage reports +htmlcov/ +.tox/ +.nox/ +.coverage +.coverage.* +.cache +nosetests.xml +coverage.xml +*.cover +*.py,cover +.hypothesis/ +.pytest_cache/ +cover/ + +# Translations +*.mo +*.pot + +# Django stuff: +*.log +local_settings.py +db.sqlite3 +db.sqlite3-journal + +# Flask stuff: +instance/ +.webassets-cache + +# Scrapy stuff: +.scrapy + +# Sphinx documentation +docs/_build/ + +# PyBuilder +.pybuilder/ +target/ + +# Jupyter Notebook +.ipynb_checkpoints + +# IPython +profile_default/ +ipython_config.py + +# pyenv +# For a library or package, you might want to ignore these files since the code is +# intended to run in multiple environments; otherwise, check them in: +# .python-version + +# pipenv +# According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control. +# However, in case of collaboration, if having platform-specific dependencies or dependencies +# having no cross-platform support, pipenv may install dependencies that don't work, or not +# install all needed dependencies. +#Pipfile.lock + +# poetry +# Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control. +# This is especially recommended for binary packages to ensure reproducibility, and is more +# commonly ignored for libraries. +# https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control +#poetry.lock + +# pdm +# Similar to Pipfile.lock, it is generally recommended to include pdm.lock in version control. +#pdm.lock +# pdm stores project-wide configurations in .pdm.toml, but it is recommended to not include it +# in version control. +# https://pdm.fming.dev/#use-with-ide +.pdm.toml + +# PEP 582; used by e.g. github.com/David-OConnor/pyflow and github.com/pdm-project/pdm +__pypackages__/ + +# Celery stuff +celerybeat-schedule +celerybeat.pid + +# SageMath parsed files +*.sage.py + +# Environments +.env +.venv +env/ +venv/ +ENV/ +env.bak/ +venv.bak/ + +# Spyder project settings +.spyderproject +.spyproject + +# Rope project settings +.ropeproject + +# mkdocs documentation +/site + +# mypy +.mypy_cache/ +.dmypy.json +dmypy.json + +# Pyre type checker +.pyre/ + +# pytype static type analyzer +.pytype/ + +# Cython debug symbols +cython_debug/ diff --git a/.vscode/settings.json b/.vscode/settings.json deleted file mode 100644 index d1ae2711e3..0000000000 --- a/.vscode/settings.json +++ /dev/null @@ -1,6 +0,0 @@ -{ - 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def __to_cjson(self, element_coords): - cjson_dict = {"element-coordinates" :element_coords} - cjsonData = json.dumps(cjson_dict, indent=4) + def __to_cjson(self, cjson_dict_file): + '''It converts python dictionaries to CJson format''' + cjsonData = json.dumps(cjson_dict_file, indent=4) return (cjsonData) def get_atoms_coords(self,filePath): + """ + It helps to get the co-ordinates of individual elements/atoms in the format + [ + x co-ordinate + y co-ordinate + z co-ordinate + Atomic Number of Element + ] + """ data = self.__open_file(filePath) coords = data["atoms"]["coords"]["3d"] elements = data["atoms"]["elements"]["number"] element_coords = [(*coords[i*3:(i+1)*3], elements[i]) for i in range(0, int(len(coords) / 3))] - return self.__to_cjson(element_coords) \ No newline at end of file + cjson_dict = {"element-coordinates" :element_coords} + return self.__to_cjson(cjson_dict) \ No newline at end of file From 475933b93fe8324a436436bf4c1559056cb18f01 Mon Sep 17 00:00:00 2001 From: Aditya Omar Date: Sat, 21 Oct 2023 14:47:52 +0530 Subject: [PATCH 030/186] added get_elements function which returns atomic number of elements present Signed-off-by: Aditya Omar --- python/avogadro/cjson.py | 7 ++- python/avogadro/h2o.cjson | 112 ++++++++++++++++++++++++++++++++++++++ 2 files changed, 118 insertions(+), 1 deletion(-) create mode 100644 python/avogadro/h2o.cjson diff --git a/python/avogadro/cjson.py b/python/avogadro/cjson.py index 2434e30a6f..6b5667a36b 100644 --- a/python/avogadro/cjson.py +++ b/python/avogadro/cjson.py @@ -38,4 +38,9 @@ def get_atoms_coords(self,filePath): elements = data["atoms"]["elements"]["number"] element_coords = [(*coords[i*3:(i+1)*3], elements[i]) for i in range(0, int(len(coords) / 3))] cjson_dict = {"element-coordinates" :element_coords} - return self.__to_cjson(cjson_dict) \ No newline at end of file + return self.__to_cjson(cjson_dict) + + def get_elements(self, filePath): + data = self.__open_file(filePath) + elements = data["atoms"]["elements"]["number"] + return elements \ No newline at end of file diff --git a/python/avogadro/h2o.cjson b/python/avogadro/h2o.cjson new file mode 100644 index 0000000000..0ea06eb5ce --- /dev/null +++ b/python/avogadro/h2o.cjson @@ -0,0 +1,112 @@ +{ + "atoms": { + "coords": { + "3d": [ + -1.1664071083068848, + -0.06516236066818237, + -7.939339639051468e-07, + -1.1341277640126144, + 0.4850611475774994, + -0.7737656886248392, + -2.039371142295559, + -0.035370620243069625, + 0.3735580701221557 + ] + }, + "elements": { + "number": [ + 8, + 1, + 1 + ] + }, + "formalCharges": [ + 0, + 0, + 0 + ], + "labels": [ + "", + "", + "" + ], + "layer": [ + 0, + 0, + 0 + ] + }, + "bonds": { + "connections": { + "index": [ + 0, + 1, + 0, + 2 + ] + }, + "order": [ + 1, + 1 + ] + }, + "chemicalJson": 1, + "layer": { + "enable": { + "Ball and Stick": [ + true + ], + "Cartoons": [ + true + ], + "Close Contacts": [ + false + ], + "Crystal Lattice": [ + false + ], + "Force": [ + false + ], + "Labels": [ + false + ], + "Licorice": [ + false + ], + "Meshes": [ + false + ], + "Non-Covalent": [ + false + ], + "Van der Waals": [ + false + ], + "Wireframe": [ + false + ], + "undef": [ + false + ] + }, + "locked": [ + false + ], + "settings": { + "Ball and Stick": [ + "true true 0.300000 0.100000" + ], + "Cartoons": [ + "false false false false false true false" + ] + }, + "visible": [ + true + ] + }, + "properties": { + "totalCharge": 0, + "totalSpinMultiplicity": 1 + } +} \ No newline at end of file From e729f506a5e2f8bb04dff7b04e404920d8775dbe Mon Sep 17 00:00:00 2001 From: Aditya Omar Date: Sat, 21 Oct 2023 17:22:44 +0530 Subject: [PATCH 031/186] added get and set functions for coordinates and elements Signed-off-by: Aditya Omar --- python/avogadro/cjson.py | 43 +++++++++++++-- python/avogadro/h2o.cjson | 112 -------------------------------------- 2 files changed, 38 insertions(+), 117 deletions(-) delete mode 100644 python/avogadro/h2o.cjson diff --git a/python/avogadro/cjson.py b/python/avogadro/cjson.py index 6b5667a36b..5fffd371d4 100644 --- a/python/avogadro/cjson.py +++ b/python/avogadro/cjson.py @@ -14,7 +14,7 @@ class Cjson: """ def __init__(self): pass - def __open_file(self, filePath): + def __from_cjson(self, filePath): '''Use to read CJson formats by converting them to python dictionaries''' with open(filePath, 'r') as cjsonFile: py_dict_data = json.load(cjsonFile) @@ -33,14 +33,47 @@ def get_atoms_coords(self,filePath): Atomic Number of Element ] """ - data = self.__open_file(filePath) + data = self.__from_cjson(filePath) coords = data["atoms"]["coords"]["3d"] elements = data["atoms"]["elements"]["number"] element_coords = [(*coords[i*3:(i+1)*3], elements[i]) for i in range(0, int(len(coords) / 3))] cjson_dict = {"element-coordinates" :element_coords} return self.__to_cjson(cjson_dict) - def get_elements(self, filePath): - data = self.__open_file(filePath) + ''' + returns all the elements present in cjson file + ''' + data = self.__from_cjson(filePath) elements = data["atoms"]["elements"]["number"] - return elements \ No newline at end of file + return elements + def get_coordinates(self,filePath): + ''' + returns the coordinate array + ''' + data = self.__from_cjson(filePath) + coords = data["atoms"]["coords"]["3d"] + return coords + def set_atoms_coordinates(self, filePath, coords_array): + ''' + it updates the coordinates array in cjson file + ''' + data = self.__from_cjson(filePath) + data["atoms"]["coords"]["3d"] = coords_array + return data + def set_elements(self, filePath, elements_array): + ''' + It sets all the elements present in the cjson file + where elements are set/recognized by their atomic numbers + ''' + data = self.__from_cjson(filePath) + data["atoms"]["elements"]["number"] = elements_array + return data + def set_coordinates(self, filePath, coords_array): + ''' + It helps to set all coordinates of the + cjson file where coordinates of all elements + can be changed by an input array of coords_array + ''' + data = self.__from_cjson(filePath) + data["atoms"]["coords"]["3d"] = coords_array + return data \ No newline at end of file diff --git a/python/avogadro/h2o.cjson b/python/avogadro/h2o.cjson deleted file mode 100644 index 0ea06eb5ce..0000000000 --- a/python/avogadro/h2o.cjson +++ /dev/null @@ -1,112 +0,0 @@ -{ - "atoms": { - "coords": { - "3d": [ - -1.1664071083068848, - -0.06516236066818237, - -7.939339639051468e-07, - -1.1341277640126144, - 0.4850611475774994, - -0.7737656886248392, - -2.039371142295559, - -0.035370620243069625, - 0.3735580701221557 - ] - }, - "elements": { - "number": [ - 8, - 1, - 1 - ] - }, - "formalCharges": [ - 0, - 0, - 0 - ], - "labels": [ - "", - "", - "" - ], - "layer": [ - 0, - 0, - 0 - ] - }, - "bonds": { - "connections": { - "index": [ - 0, - 1, - 0, - 2 - ] - }, - "order": [ - 1, - 1 - ] - }, - "chemicalJson": 1, - "layer": { - "enable": { - "Ball and Stick": [ - true - ], - "Cartoons": [ - true - ], - "Close Contacts": [ - false - ], - "Crystal Lattice": [ - false - ], - "Force": [ - false - ], - "Labels": [ - false - ], - "Licorice": [ - false - ], - "Meshes": [ - false - ], - "Non-Covalent": [ - false - ], - "Van der Waals": [ - false - ], - "Wireframe": [ - false - ], - "undef": [ - false - ] - }, - "locked": [ - false - ], - "settings": { - "Ball and Stick": [ - "true true 0.300000 0.100000" - ], - "Cartoons": [ - "false false false false false true false" - ] - }, - "visible": [ - true - ] - }, - "properties": { - "totalCharge": 0, - "totalSpinMultiplicity": 1 - } -} \ No newline at end of file From 3b81c7e4b86590384e60ad103ea3951f2deb0ba8 Mon Sep 17 00:00:00 2001 From: Aditya Omar Date: Sat, 21 Oct 2023 18:20:40 +0530 Subject: [PATCH 032/186] fixed logical error in set functions Signed-off-by: Aditya Omar --- python/avogadro/cjson.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/python/avogadro/cjson.py b/python/avogadro/cjson.py index 5fffd371d4..7d07468d63 100644 --- a/python/avogadro/cjson.py +++ b/python/avogadro/cjson.py @@ -59,7 +59,7 @@ def set_atoms_coordinates(self, filePath, coords_array): ''' data = self.__from_cjson(filePath) data["atoms"]["coords"]["3d"] = coords_array - return data + return self.__to_cjson(data) def set_elements(self, filePath, elements_array): ''' It sets all the elements present in the cjson file @@ -67,7 +67,7 @@ def set_elements(self, filePath, elements_array): ''' data = self.__from_cjson(filePath) data["atoms"]["elements"]["number"] = elements_array - return data + return self.__to_cjson(data) def set_coordinates(self, filePath, coords_array): ''' It helps to set all coordinates of the @@ -76,4 +76,4 @@ def set_coordinates(self, filePath, coords_array): ''' data = self.__from_cjson(filePath) data["atoms"]["coords"]["3d"] = coords_array - return data \ No newline at end of file + return self.__to_cjson(data) \ No newline at end of file From 63db4d1146172a447058fe9a73481961434e9a95 Mon Sep 17 00:00:00 2001 From: Surajjalpun2002 Date: Sun, 22 Oct 2023 02:23:49 +0530 Subject: [PATCH 033/186] changes regarding use of constexpr in case of constant variables Signed-off-by: Surajjalpun2002 --- avogadro/calc/chargemodel.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/avogadro/calc/chargemodel.cpp b/avogadro/calc/chargemodel.cpp index f3fc749a4c..5fb9ba1187 100644 --- a/avogadro/calc/chargemodel.cpp +++ b/avogadro/calc/chargemodel.cpp @@ -16,7 +16,7 @@ using Core::Molecule; namespace Calc { #ifndef M_PI -#define M_PI 3.14159265358979323846 +constexpr double M_PI = 3.14159265358979323846; #endif ChargeModel::ChargeModel() : m_dielectric(1.0) {} From b2dc900aa7054f5df30af2f29120b6224122e8b9 Mon Sep 17 00:00:00 2001 From: Surajjalpun2002 Date: Sun, 22 Oct 2023 02:28:52 +0530 Subject: [PATCH 034/186] commit cause clang format check failed Signed-off-by: Surajjalpun2002 --- avogadro/calc/chargemodel.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/avogadro/calc/chargemodel.cpp b/avogadro/calc/chargemodel.cpp index 5fb9ba1187..0611a19d75 100644 --- a/avogadro/calc/chargemodel.cpp +++ b/avogadro/calc/chargemodel.cpp @@ -16,7 +16,7 @@ using Core::Molecule; namespace Calc { #ifndef M_PI -constexpr double M_PI = 3.14159265358979323846; +constexpr double M_PI = 3.14159265358979323846; #endif ChargeModel::ChargeModel() : m_dielectric(1.0) {} From bc629394c9f95138ef2dd525b943155baef75bef Mon Sep 17 00:00:00 2001 From: Surajjalpun2002 Date: Sun, 22 Oct 2023 03:06:19 +0530 Subject: [PATCH 035/186] removed a clang tidy warning about implicit narrowing conversion warning: narrowing conversion from 'size_t' (aka 'unsigned long long') to 'float' [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] Signed-off-by: Surajjalpun2002 --- avogadro/core/molecule.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/avogadro/core/molecule.cpp b/avogadro/core/molecule.cpp index e04046c925..458502dfd0 100644 --- a/avogadro/core/molecule.cpp +++ b/avogadro/core/molecule.cpp @@ -554,7 +554,7 @@ Molecule::BondType Molecule::addBond(const AtomType& a, const AtomType& b, size_t calcNlogN(size_t n) { size_t aproxLog = 1; - float aux = n; + float aux = static_cast(n); while (aux > 2.0f) { aux /= 2.0f; ++aproxLog; From 8c5832d32596a61b7e7fbaa96b1f47d80401c5f8 Mon Sep 17 00:00:00 2001 From: Atharva-Kanherkar Date: Mon, 23 Oct 2023 23:34:12 +0530 Subject: [PATCH 036/186] Added new and modern code, removed some useless functions Signed-off-by: Atharva-Kanherkar --- avogadro/core/avogadrocore.h | 75 +++++++++++++++--------------------- 1 file changed, 32 insertions(+), 43 deletions(-) diff --git a/avogadro/core/avogadrocore.h b/avogadro/core/avogadrocore.h index 53ec43ce32..9a0306146f 100644 --- a/avogadro/core/avogadrocore.h +++ b/avogadro/core/avogadrocore.h @@ -1,4 +1,4 @@ -/****************************************************************************** + /****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ @@ -9,83 +9,72 @@ #include #include -/** Prevent compiler error when using std::numeric_limits::max() */ -#if defined(_MSC_VER) && defined(max) -#undef max -#endif - /** * This macro marks a parameter as unused. Its purpose is to disable the * compiler from emitting unused parameter warnings. */ #define AVO_UNUSED(variable) (void)variable -/** - * This macro marks a class as not copyable. It should be used in the private - * section of a class's declaration. - */ -#define AVO_DISABLE_COPY(Class) \ - Class(const Class&); \ - Class& operator=(const Class&); - namespace Avogadro { /** Typedef for a real number. */ -typedef double Real; +using Real = double; /** Typedef for indices and sizes. */ -typedef size_t Index; -const Index MaxIndex = std::numeric_limits::max(); +using Index = std::size_t; +constexpr Index MaxIndex = std::numeric_limits::max(); /** Used to represent an invalid atomic number. */ -const unsigned char InvalidElement = 255; +constexpr unsigned char InvalidElement = 255; /** * Minimum value for atomic numbers that represent custom, non-elemental - * particles. */ -const unsigned char CustomElementMin = 128; + * particles. + */ +constexpr unsigned char CustomElementMin = 128; /** * Maximum value for atomic numbers that represent custom, non-elemental - * particles. */ -const unsigned char CustomElementMax = 254; + * particles. + */ +constexpr unsigned char CustomElementMax = 254; /** * Count of atomic number values that are used to represent custom, - * non-elemental particles. */ -const unsigned char CustomElementCount = - CustomElementMax - CustomElementMin + 1; + * non-elemental particles. + */ +constexpr unsigned char CustomElementCount = + CustomElementMax - CustomElementMin + 1; /** * @return True if @a atomicNumber denotes a custom element type. */ namespace Core { -inline bool isCustomElement(unsigned char atomicNumber) -{ - return atomicNumber >= CustomElementMin && atomicNumber <= CustomElementMax; +constexpr bool isCustomElement(unsigned char atomicNumber) { + return atomicNumber >= CustomElementMin && atomicNumber <= CustomElementMax; } } /** Unit conversion factors. @{ */ -const double PI_D = 3.141592653589793238462643; -const float PI_F = static_cast(PI_D); -const Real PI = static_cast(PI_D); +constexpr double PI_D = 3.141592653589793238462643; +constexpr float PI_F = static_cast(PI_D); +constexpr Real PI = static_cast(PI_D); -const double DEG_TO_RAD_D = PI_D / 180.0; -const float DEG_TO_RAD_F = static_cast(DEG_TO_RAD_D); -const Real DEG_TO_RAD = static_cast(DEG_TO_RAD_D); +constexpr double DEG_TO_RAD_D = PI_D / 180.0; +constexpr float DEG_TO_RAD_F = static_cast(DEG_TO_RAD_D); +constexpr Real DEG_TO_RAD = static_cast(DEG_TO_RAD_D); -const double RAD_TO_DEG_D = 180.0 / PI_D; -const float RAD_TO_DEG_F = static_cast(RAD_TO_DEG_D); -const Real RAD_TO_DEG = static_cast(RAD_TO_DEG_D); +constexpr double RAD_TO_DEG_D = 180.0 / PI_D; +constexpr float RAD_TO_DEG_F = static_cast(RAD_TO_DEG_D); +constexpr Real RAD_TO_DEG = static_cast(RAD_TO_DEG_D); -const double BOHR_TO_ANGSTROM_D = 0.52917721092; -const float BOHR_TO_ANGSTROM_F = static_cast(BOHR_TO_ANGSTROM_D); -const Real BOHR_TO_ANGSTROM = static_cast(BOHR_TO_ANGSTROM_D); +constexpr double BOHR_TO_ANGSTROM_D = 0.52917721092; +constexpr float BOHR_TO_ANGSTROM_F = static_cast(BOHR_TO_ANGSTROM_D); +constexpr Real BOHR_TO_ANGSTROM = static_cast(BOHR_TO_ANGSTROM_D); -const double ANGSTROM_TO_BOHR_D = 1.0 / BOHR_TO_ANGSTROM_D; -const float ANGSTROM_TO_BOHR_F = static_cast(ANGSTROM_TO_BOHR_D); -const Real ANGSTROM_TO_BOHR = static_cast(ANGSTROM_TO_BOHR_D); +constexpr double ANGSTROM_TO_BOHR_D = 1.0 / BOHR_TO_ANGSTROM_D; +constexpr float ANGSTROM_TO_BOHR_F = static_cast(ANGSTROM_TO_BOHR_D); +constexpr Real ANGSTROM_TO_BOHR = static_cast(ANGSTROM_TO_BOHR_D); /** @} */ } // end Avogadro namespace From 2c84c3eeff708f7291afaa20ce093990ea73af79 Mon Sep 17 00:00:00 2001 From: Surajjalpun2002 Date: Tue, 24 Oct 2023 00:59:27 +0530 Subject: [PATCH 037/186] removed 2 type of clang-tidy errors in dcdformat.cpp macro replacement list should be enclosed in parentheses macro 'DCD_MAGIC' used to declare a constant; consider using a 'constexpr' constant macro 'DCD_IS_CHARMM' used to declare a constant; consider using a 'constexpr' constant macro 'DCD_HAS_4DIMS' used to declare a constant; consider using a 'constexpr' constant macro 'DCD_HAS_EXTRA_BLOCK' used to declare a constant; consider using a 'constexpr' constant Signed-off-by: Surajjalpun2002 --- avogadro/io/dcdformat.cpp | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/avogadro/io/dcdformat.cpp b/avogadro/io/dcdformat.cpp index bdfc705457..1bacfd82e0 100644 --- a/avogadro/io/dcdformat.cpp +++ b/avogadro/io/dcdformat.cpp @@ -34,11 +34,11 @@ using Core::UnitCell; #ifndef _WIN32 #endif -#define DCD_EOF -1 -#define DCD_MAGIC 84 -#define DCD_IS_CHARMM 0x01 -#define DCD_HAS_4DIMS 0x02 -#define DCD_HAS_EXTRA_BLOCK 0x04 +#define DCD_EOF (-1) +constexpr int DCD_MAGIC = 84; +constexpr int DCD_IS_CHARMM = 0x01; +constexpr int DCD_HAS_4DIMS = 0x02; +constexpr int DCD_HAS_EXTRA_BLOCK = 0x04; int swap_integer(int inp) { From 1eb19d0901327a362adaf1262880524bfb694ea5 Mon Sep 17 00:00:00 2001 From: Atharva-Kanherkar Date: Tue, 24 Oct 2023 01:34:16 +0530 Subject: [PATCH 038/186] Edited the macro Signed-off-by: Atharva-Kanherkar --- avogadro/core/avogadrocore.h | 51 +++++++++++++++--------------------- 1 file changed, 21 insertions(+), 30 deletions(-) diff --git a/avogadro/core/avogadrocore.h b/avogadro/core/avogadrocore.h index 9a0306146f..c8c8a4d21a 100644 --- a/avogadro/core/avogadrocore.h +++ b/avogadro/core/avogadrocore.h @@ -1,4 +1,4 @@ - /****************************************************************************** +/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ @@ -9,53 +9,45 @@ #include #include +/** Prevent compiler error when using std::numeric_limits::max() */ +#if defined(_MSC_VER) && defined(max) +#undef max +#endif + /** * This macro marks a parameter as unused. Its purpose is to disable the * compiler from emitting unused parameter warnings. */ #define AVO_UNUSED(variable) (void)variable +/** + * This macro marks a class as not copyable. It should be used in the private + * section of a class's declaration. + */ +#define AVO_DISABLE_COPY(Class) \ + Class(const Class&); \ + Class& operator=(const Class&); + + namespace Avogadro { -/** Typedef for a real number. */ using Real = double; - -/** Typedef for indices and sizes. */ using Index = std::size_t; constexpr Index MaxIndex = std::numeric_limits::max(); -/** Used to represent an invalid atomic number. */ constexpr unsigned char InvalidElement = 255; - -/** - * Minimum value for atomic numbers that represent custom, non-elemental - * particles. - */ constexpr unsigned char CustomElementMin = 128; - -/** - * Maximum value for atomic numbers that represent custom, non-elemental - * particles. - */ constexpr unsigned char CustomElementMax = 254; +constexpr unsigned char CustomElementCount = CustomElementMax - CustomElementMin + 1; -/** - * Count of atomic number values that are used to represent custom, - * non-elemental particles. - */ -constexpr unsigned char CustomElementCount = - CustomElementMax - CustomElementMin + 1; - -/** - * @return True if @a atomicNumber denotes a custom element type. - */ namespace Core { -constexpr bool isCustomElement(unsigned char atomicNumber) { - return atomicNumber >= CustomElementMin && atomicNumber <= CustomElementMax; +inline bool isCustomElement(unsigned char atomicNumber) +{ + return atomicNumber >= CustomElementMin && atomicNumber <= CustomElementMax; } } -/** Unit conversion factors. @{ */ +/** Unit conversion factors. */ constexpr double PI_D = 3.141592653589793238462643; constexpr float PI_F = static_cast(PI_D); constexpr Real PI = static_cast(PI_D); @@ -75,8 +67,7 @@ constexpr Real BOHR_TO_ANGSTROM = static_cast(BOHR_TO_ANGSTROM_D); constexpr double ANGSTROM_TO_BOHR_D = 1.0 / BOHR_TO_ANGSTROM_D; constexpr float ANGSTROM_TO_BOHR_F = static_cast(ANGSTROM_TO_BOHR_D); constexpr Real ANGSTROM_TO_BOHR = static_cast(ANGSTROM_TO_BOHR_D); -/** @} */ } // end Avogadro namespace -#endif // AVOGADRO_CORE_H +#endif // AVOGADRO_CORE_H \ No newline at end of file From b9c9c54e80b4424255c856cd0c2450e970f30512 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 23 Oct 2023 18:52:50 -0400 Subject: [PATCH 039/186] New forcefield framework (#1370) New forcefield framework * Includes Lennard-Jones backup implementation * Includes support for energies and gradients through scripts * Add support for unit cell optimizing through minimum distances * Some support for obmm to replace openbabel Signed-off-by: Geoff Hutchison --- avogadro/calc/CMakeLists.txt | 8 +- avogadro/calc/chargemanager.cpp | 10 +- avogadro/calc/chargemanager.h | 14 +- avogadro/calc/chargemodel.cpp | 7 +- avogadro/calc/energycalculator.cpp | 36 ++ avogadro/calc/energycalculator.h | 127 +++++ avogadro/calc/energymanager.cpp | 137 ++++++ avogadro/calc/energymanager.h | 143 ++++++ avogadro/calc/lennardjones.cpp | 184 ++++++++ avogadro/calc/lennardjones.h | 64 +++ avogadro/calc/lennardjonesdata.h | 198 ++++++++ avogadro/core/molecule.cpp | 57 +++ avogadro/core/molecule.h | 22 + avogadro/core/unitcell.h | 2 +- avogadro/qtgui/pythonscript.cpp | 29 ++ avogadro/qtgui/pythonscript.h | 27 +- avogadro/qtplugins/CMakeLists.txt | 3 +- avogadro/qtplugins/forcefield/CMakeLists.txt | 31 ++ avogadro/qtplugins/forcefield/forcefield.cpp | 436 ++++++++++++++++++ avogadro/qtplugins/forcefield/forcefield.h | 98 ++++ .../qtplugins/forcefield/forcefielddialog.cpp | 127 +++++ .../qtplugins/forcefield/forcefielddialog.h | 79 ++++ .../qtplugins/forcefield/forcefielddialog.ui | 193 ++++++++ avogadro/qtplugins/forcefield/obmmenergy.cpp | 368 +++++++++++++++ avogadro/qtplugins/forcefield/obmmenergy.h | 95 ++++ .../qtplugins/forcefield/scriptenergy.cpp | 420 +++++++++++++++++ avogadro/qtplugins/forcefield/scriptenergy.h | 107 +++++ .../qtplugins/forcefield/scripts/ani2x.py | 89 ++++ avogadro/qtplugins/forcefield/scripts/gaff.py | 88 ++++ avogadro/qtplugins/forcefield/scripts/gfn1.py | 104 +++++ avogadro/qtplugins/forcefield/scripts/gfn2.py | 104 +++++ .../qtplugins/forcefield/scripts/gfnff.py | 106 +++++ .../qtplugins/forcefield/scripts/mmff94.py | 88 ++++ avogadro/qtplugins/forcefield/scripts/uff.py | 87 ++++ .../scriptcharges/scriptchargemodel.cpp | 2 +- thirdparty/CMakeLists.txt | 8 +- thirdparty/cppoptlib/BUILD | 9 + thirdparty/cppoptlib/LICENSE | 22 + thirdparty/cppoptlib/README.md | 236 ++++++++++ thirdparty/cppoptlib/boundedproblem.h | 63 +++ thirdparty/cppoptlib/linesearch/armijo.h | 83 ++++ thirdparty/cppoptlib/linesearch/morethuente.h | 314 +++++++++++++ .../cppoptlib/linesearch/wolfeheuristic.h | 75 +++ thirdparty/cppoptlib/meta.h | 152 ++++++ thirdparty/cppoptlib/problem.h | 217 +++++++++ thirdparty/cppoptlib/solver/bfgssolver.h | 67 +++ thirdparty/cppoptlib/solver/cmaesbsolver.h | 231 ++++++++++ thirdparty/cppoptlib/solver/cmaessolver.h | 205 ++++++++ .../solver/conjugatedgradientdescentsolver.h | 61 +++ .../cppoptlib/solver/gradientdescentsolver.h | 50 ++ thirdparty/cppoptlib/solver/isolver.h | 57 +++ thirdparty/cppoptlib/solver/lbfgsbsolver.h | 306 ++++++++++++ thirdparty/cppoptlib/solver/lbfgssolver.h | 121 +++++ .../cppoptlib/solver/neldermeadsolver.h | 225 +++++++++ .../cppoptlib/solver/newtondescentsolver.h | 43 ++ thirdparty/cppoptlib/timer.h | 90 ++++ .../{nlohmann => }/adl_serializer.hpp | 0 .../detail/conversions/from_json.hpp | 0 .../detail/conversions/to_chars.hpp | 0 .../detail/conversions/to_json.hpp | 0 .../{nlohmann => }/detail/exceptions.hpp | 0 .../detail/input/binary_reader.hpp | 0 .../detail/input/input_adapters.hpp | 0 .../{nlohmann => }/detail/input/json_sax.hpp | 0 .../{nlohmann => }/detail/input/lexer.hpp | 0 .../{nlohmann => }/detail/input/parser.hpp | 0 .../detail/iterators/internal_iterator.hpp | 0 .../detail/iterators/iter_impl.hpp | 0 .../detail/iterators/iteration_proxy.hpp | 0 .../iterators/json_reverse_iterator.hpp | 0 .../detail/iterators/primitive_iterator.hpp | 0 .../{nlohmann => }/detail/json_pointer.hpp | 0 .../{nlohmann => }/detail/json_ref.hpp | 0 .../{nlohmann => }/detail/macro_scope.hpp | 0 .../{nlohmann => }/detail/macro_unscope.hpp | 0 .../{nlohmann => }/detail/meta/cpp_future.hpp | 0 .../{nlohmann => }/detail/meta/detected.hpp | 0 .../{nlohmann => }/detail/meta/is_sax.hpp | 0 .../detail/meta/type_traits.hpp | 0 .../{nlohmann => }/detail/meta/void_t.hpp | 0 .../detail/output/binary_writer.hpp | 0 .../detail/output/output_adapters.hpp | 0 .../detail/output/serializer.hpp | 0 .../{nlohmann => }/detail/value_t.hpp | 0 thirdparty/nlohmann/{nlohmann => }/json.hpp | 0 .../nlohmann/{nlohmann => }/json_fwd.hpp | 0 86 files changed, 6293 insertions(+), 32 deletions(-) create mode 100644 avogadro/calc/energycalculator.cpp create mode 100644 avogadro/calc/energycalculator.h create mode 100644 avogadro/calc/energymanager.cpp create mode 100644 avogadro/calc/energymanager.h create mode 100644 avogadro/calc/lennardjones.cpp create mode 100644 avogadro/calc/lennardjones.h create mode 100644 avogadro/calc/lennardjonesdata.h create mode 100644 avogadro/qtplugins/forcefield/CMakeLists.txt create mode 100644 avogadro/qtplugins/forcefield/forcefield.cpp create mode 100644 avogadro/qtplugins/forcefield/forcefield.h create mode 100644 avogadro/qtplugins/forcefield/forcefielddialog.cpp create mode 100644 avogadro/qtplugins/forcefield/forcefielddialog.h create mode 100644 avogadro/qtplugins/forcefield/forcefielddialog.ui create mode 100644 avogadro/qtplugins/forcefield/obmmenergy.cpp create mode 100644 avogadro/qtplugins/forcefield/obmmenergy.h create mode 100644 avogadro/qtplugins/forcefield/scriptenergy.cpp create mode 100644 avogadro/qtplugins/forcefield/scriptenergy.h create mode 100644 avogadro/qtplugins/forcefield/scripts/ani2x.py create mode 100644 avogadro/qtplugins/forcefield/scripts/gaff.py create mode 100644 avogadro/qtplugins/forcefield/scripts/gfn1.py create mode 100644 avogadro/qtplugins/forcefield/scripts/gfn2.py create mode 100644 avogadro/qtplugins/forcefield/scripts/gfnff.py create mode 100644 avogadro/qtplugins/forcefield/scripts/mmff94.py create mode 100644 avogadro/qtplugins/forcefield/scripts/uff.py create mode 100644 thirdparty/cppoptlib/BUILD create mode 100644 thirdparty/cppoptlib/LICENSE create mode 100644 thirdparty/cppoptlib/README.md create mode 100644 thirdparty/cppoptlib/boundedproblem.h create mode 100644 thirdparty/cppoptlib/linesearch/armijo.h create mode 100644 thirdparty/cppoptlib/linesearch/morethuente.h create mode 100644 thirdparty/cppoptlib/linesearch/wolfeheuristic.h create mode 100644 thirdparty/cppoptlib/meta.h create mode 100644 thirdparty/cppoptlib/problem.h create mode 100644 thirdparty/cppoptlib/solver/bfgssolver.h create mode 100644 thirdparty/cppoptlib/solver/cmaesbsolver.h create mode 100644 thirdparty/cppoptlib/solver/cmaessolver.h create mode 100644 thirdparty/cppoptlib/solver/conjugatedgradientdescentsolver.h create mode 100644 thirdparty/cppoptlib/solver/gradientdescentsolver.h create mode 100644 thirdparty/cppoptlib/solver/isolver.h create mode 100644 thirdparty/cppoptlib/solver/lbfgsbsolver.h create mode 100644 thirdparty/cppoptlib/solver/lbfgssolver.h create mode 100644 thirdparty/cppoptlib/solver/neldermeadsolver.h create mode 100644 thirdparty/cppoptlib/solver/newtondescentsolver.h create mode 100644 thirdparty/cppoptlib/timer.h rename thirdparty/nlohmann/{nlohmann => }/adl_serializer.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/conversions/from_json.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/conversions/to_chars.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/conversions/to_json.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/exceptions.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/input/binary_reader.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/input/input_adapters.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/input/json_sax.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/input/lexer.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/input/parser.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/iterators/internal_iterator.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/iterators/iter_impl.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/iterators/iteration_proxy.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/iterators/json_reverse_iterator.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/iterators/primitive_iterator.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/json_pointer.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/json_ref.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/macro_scope.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/macro_unscope.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/meta/cpp_future.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/meta/detected.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/meta/is_sax.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/meta/type_traits.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/meta/void_t.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/output/binary_writer.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/output/output_adapters.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/output/serializer.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/detail/value_t.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/json.hpp (100%) rename thirdparty/nlohmann/{nlohmann => }/json_fwd.hpp (100%) diff --git a/avogadro/calc/CMakeLists.txt b/avogadro/calc/CMakeLists.txt index 89a1bd4a03..df6deef248 100644 --- a/avogadro/calc/CMakeLists.txt +++ b/avogadro/calc/CMakeLists.txt @@ -4,15 +4,21 @@ avogadro_headers(Calc chargemodel.h chargemanager.h defaultmodel.h + energycalculator.h + energymanager.h + lennardjones.h ) target_sources(Calc PRIVATE chargemodel.cpp chargemanager.cpp defaultmodel.cpp + energycalculator.cpp + energymanager.cpp + lennardjones.cpp ) avogadro_add_library(Calc) target_link_libraries(Calc - PUBLIC Avogadro::Core) + PUBLIC Avogadro::Core cppoptlib) diff --git a/avogadro/calc/chargemanager.cpp b/avogadro/calc/chargemanager.cpp index 53f4421e77..5521b1d2f5 100644 --- a/avogadro/calc/chargemanager.cpp +++ b/avogadro/calc/chargemanager.cpp @@ -10,7 +10,6 @@ #include #include - namespace Avogadro::Calc { ChargeManager& ChargeManager::instance() @@ -88,7 +87,7 @@ ChargeManager::ChargeManager() ChargeManager::~ChargeManager() { // Delete the models that were loaded. - for (auto & m_model : m_models) { + for (auto& m_model : m_models) { delete m_model; } m_models.clear(); @@ -102,7 +101,6 @@ std::set ChargeManager::identifiersForMolecule( // check our models for compatibility for (auto m_model : m_models) { - // We check that every element in the molecule // is handled by the model auto mask = m_model->elements() & molecule.elements(); @@ -113,8 +111,8 @@ std::set ChargeManager::identifiersForMolecule( return identifiers; } -MatrixX ChargeManager::partialCharges( - const std::string& identifier, Core::Molecule& molecule) const +MatrixX ChargeManager::partialCharges(const std::string& identifier, + Core::Molecule& molecule) const { // first check if the type is found in the molecule // (i.e., read from a file not computed dynamically) @@ -181,4 +179,4 @@ Core::Array ChargeManager::potentials( return model->potentials(molecule, points); } -} // namespace Avogadro +} // namespace Avogadro::Calc diff --git a/avogadro/calc/chargemanager.h b/avogadro/calc/chargemanager.h index 7d611c5b8e..3a0475c6be 100644 --- a/avogadro/calc/chargemanager.h +++ b/avogadro/calc/chargemanager.h @@ -53,7 +53,7 @@ class AVOGADROCALC_EXPORT ChargeManager /** * @brief Register a new charge model with the manager. - * @param format An instance of the format to manage, the manager assumes + * @param model An instance of the model to manage, the manager assumes * ownership of the object passed in. * @return True on success, false on failure. */ @@ -80,16 +80,6 @@ class AVOGADROCALC_EXPORT ChargeManager */ bool removeModel(const std::string& identifier); - /** - * New instance of the model for the specified @p identifier. Ownership - * is passed to the caller. - * @param identifier The unique identifier of the format. - * @return Instance of the format, nullptr if not found. Ownership passes to - * the - * caller. - */ - ChargeModel* newModelFromIdentifier(const std::string& identifier) const; - /** * Get a list of all loaded identifiers */ @@ -111,7 +101,7 @@ class AVOGADROCALC_EXPORT ChargeManager * @return atomic partial charges for the molecule, or 0.0 if undefined */ MatrixX partialCharges(const std::string& identifier, - Core::Molecule& mol) const; + Core::Molecule& mol) const; /** * @return the potential at the point for the molecule, or 0.0 if the model is diff --git a/avogadro/calc/chargemodel.cpp b/avogadro/calc/chargemodel.cpp index 0611a19d75..3c1d21eb06 100644 --- a/avogadro/calc/chargemodel.cpp +++ b/avogadro/calc/chargemodel.cpp @@ -39,7 +39,7 @@ double ChargeModel::potential(Molecule& mol, const Vector3& point) const double distance = (positions[i] - point).norm(); if (distance > 0.01) { // drop small distances to avoid overflow - potential += charges(i,0) / distance; + potential += charges(i, 0) / distance; } } @@ -52,12 +52,13 @@ Array ChargeModel::potentials(Core::Molecule& mol, // This is naive and slow, but can be re-implemented by methods // for batching Array potentials(points.size(), 0.0); - for(unsigned int i = 0; i < points.size(); ++i) + for (unsigned int i = 0; i < points.size(); ++i) potentials[i] = potential(mol, points[i]); return potentials; } -void ChargeModel::appendError(const std::string& errorString, bool newLine) const +void ChargeModel::appendError(const std::string& errorString, + bool newLine) const { m_error += errorString; if (newLine) diff --git a/avogadro/calc/energycalculator.cpp b/avogadro/calc/energycalculator.cpp new file mode 100644 index 0000000000..a75dd6d429 --- /dev/null +++ b/avogadro/calc/energycalculator.cpp @@ -0,0 +1,36 @@ +/****************************************************************************** + This source file is part of the Avogadro project. + This source code is released under the 3-Clause BSD License, (see "LICENSE"). +******************************************************************************/ + +#include "energycalculator.h" + +#include + +namespace Avogadro::Calc { + +void EnergyCalculator::gradient(const TVector& x, TVector& grad) +{ + finiteGradient(x, grad); + cleanGradients(grad); +} + +void EnergyCalculator::cleanGradients(TVector& grad) +{ + unsigned int size = grad.rows(); + // check for overflows -- in case of divide by zero, etc. + for (unsigned int i = 0; i < size; ++i) { + if (!std::isfinite(grad[i]) || std::isnan(grad[i])) { + grad[i] = 0.0; + } + } + + // freeze any masked atoms or coordinates + if (m_mask.rows() == size) + grad = grad.cwiseProduct(m_mask); + else + std::cerr << "Error: mask size " << m_mask.rows() << " " << grad.rows() + << std::endl; +} + +} // namespace Avogadro::Calc diff --git a/avogadro/calc/energycalculator.h b/avogadro/calc/energycalculator.h new file mode 100644 index 0000000000..b9784e4055 --- /dev/null +++ b/avogadro/calc/energycalculator.h @@ -0,0 +1,127 @@ +/****************************************************************************** + This source file is part of the Avogadro project. + This source code is released under the 3-Clause BSD License, (see "LICENSE"). +******************************************************************************/ + +#ifndef AVOGADRO_CALC_ENERGYCALCULATOR_H +#define AVOGADRO_CALC_ENERGYCALCULATOR_H + +#include "avogadrocalcexport.h" + +#include +#include +#include + +#include + +namespace Avogadro { +namespace Core { +class Molecule; +} + +namespace Calc { + +class AVOGADROCALC_EXPORT EnergyCalculator : public cppoptlib::Problem +{ +public: + EnergyCalculator() {} + ~EnergyCalculator() {} + + /** + * Create a new instance of the model. Ownership passes to the + * caller. + */ + virtual EnergyCalculator* newInstance() const = 0; + + /** + * @return a unique identifier for this calculator. + */ + virtual std::string identifier() const = 0; + + /** + * @return A short translatable name for this method (e.g., MMFF94, UFF, etc.) + */ + virtual std::string name() const = 0; + + /** + * @return a description of the method + */ + virtual std::string description() const = 0; + + /** + * Called to set the configuration (e.g., for a GUI options dialog) + */ + virtual bool setConfiguration(Core::VariantMap& config) { return true; } + + /** + * @brief Indicate if your method only treats a subset of elements + * @return an element mask corresponding to the defined subset + */ + virtual Core::Molecule::ElementMask elements() const = 0; + + /** + * @brief Indicate if your method can handle unit cells + * @return true if unit cells are supported + */ + virtual bool acceptsUnitCell() const { return false; } + + /** + * @brief Indicate if your method can handle ions + * Many methods only treat neutral systems, either + * a neutral molecule or a neutral unit cell. + * + * @return true if ions are supported + */ + virtual bool acceptsIons() const { return false; } + + /** + * @brief Indicate if your method can handle radicals + * Most methods only treat closed-shell molecules. + * @return true if radicals are supported + */ + virtual bool acceptsRadicals() const { return false; } + + /** + * Calculate the gradients for this method, defaulting to numerical + * finite-difference methods + */ + virtual void gradient(const TVector& x, TVector& grad) override; + + /** + * Called to 'clean' gradients @param grad (e.g., for constraints) + */ + void cleanGradients(TVector& grad); + + /** + * Called to update the "frozen" mask (e.g., during editing) + */ + void setMask(TVector mask) { m_mask = mask; } + + /** + * @return the frozen atoms mask + */ + TVector mask() const { return m_mask; } + + /** + * Called when the current molecule changes. + */ + virtual void setMolecule(Core::Molecule* mol) = 0; + +protected: + /** + * @brief Append an error to the error string for the model. + * @param errorString The error to be added. + * @param newLine Add a new line after the error string? + */ + void appendError(const std::string& errorString, bool newLine = true) const; + + TVector m_mask; // optimize or frozen atom mask + +private: + mutable std::string m_error; +}; + +} // end namespace Calc +} // end namespace Avogadro + +#endif // AVOGADRO_CALC_ENERGYCALCULATOR_H diff --git a/avogadro/calc/energymanager.cpp b/avogadro/calc/energymanager.cpp new file mode 100644 index 0000000000..53751e45dc --- /dev/null +++ b/avogadro/calc/energymanager.cpp @@ -0,0 +1,137 @@ +/****************************************************************************** + This source file is part of the Avogadro project. + This source code is released under the 3-Clause BSD License, (see "LICENSE"). +******************************************************************************/ + +#include "energymanager.h" +#include "energycalculator.h" +#include "lennardjones.h" + +#include +#include + +namespace Avogadro::Calc { + +EnergyManager& EnergyManager::instance() +{ + static EnergyManager instance; + return instance; +} + +void EnergyManager::appendError(const std::string& errorMessage) +{ + m_error += errorMessage + "\n"; +} + +bool EnergyManager::registerModel(EnergyCalculator* model) +{ + return instance().addModel(model); +} + +bool EnergyManager::unregisterModel(const std::string& identifier) +{ + return instance().removeModel(identifier); +} + +bool EnergyManager::addModel(EnergyCalculator* model) +{ + if (model == nullptr) { + appendError("Supplied model was null."); + return false; + } + + if (m_identifiers.find(model->identifier()) != m_identifiers.end()) { + appendError("Model " + model->identifier() + " already loaded."); + return false; + } + + // If we got here then the model is unique enough to be added. + size_t index = m_models.size(); + m_models.push_back(model); + m_identifiers[model->identifier()] = index; + m_identifierToName[model->identifier()] = model->name(); + + return true; +} + +EnergyCalculator* EnergyManager::model(const std::string& identifier) const +{ + auto it = m_identifiers.find(identifier); + if (it == m_identifiers.end()) { + return nullptr; + } + return m_models[it->second]->newInstance(); +} + +bool EnergyManager::removeModel(const std::string& identifier) +{ + auto ids = m_identifiers[identifier]; + m_identifiers.erase(identifier); + m_identifierToName.erase(identifier); + + auto* model = m_models[ids]; + + if (model != nullptr) { + m_models[ids] = nullptr; + delete model; + } + + return true; +} + +std::string EnergyManager::nameForModel(const std::string& identifier) const +{ + auto it = m_identifierToName.find(identifier); + if (it == m_identifierToName.end()) { + return identifier; + } + return it->second; +} + +EnergyManager::EnergyManager() +{ + // add any default models here + + // LJ is the fallback, since it can handle anything + // (maybe not well, but it can handle it) + addModel(new LennardJones); +} + +EnergyManager::~EnergyManager() +{ + // Delete the models that were loaded. + for (auto& m_model : m_models) { + delete m_model; + } + m_models.clear(); +} + +std::set EnergyManager::identifiersForMolecule( + const Core::Molecule& molecule) const +{ + std::set identifiers; + + // check our models for compatibility + for (auto m_model : m_models) { + // we can check easy things first + // - is the molecule an ion based on total charge + // - is the molecule a radical based on spin multiplicity + // - does the molecule have a unit cell + if (molecule.totalCharge() != 0 && !m_model->acceptsIons()) + continue; + if (molecule.totalSpinMultiplicity() != 1 && !m_model->acceptsRadicals()) + continue; + if (molecule.unitCell() != nullptr && !m_model->acceptsUnitCell()) + continue; + + // Finally, we check that every element in the molecule + // is handled by the model + auto mask = m_model->elements() & molecule.elements(); + if (mask.count() == molecule.elements().count()) + identifiers.insert(m_model->identifier()); // this one will work + } + + return identifiers; +} + +} // namespace Avogadro::Calc diff --git a/avogadro/calc/energymanager.h b/avogadro/calc/energymanager.h new file mode 100644 index 0000000000..bea488c5d9 --- /dev/null +++ b/avogadro/calc/energymanager.h @@ -0,0 +1,143 @@ +/****************************************************************************** + This source file is part of the Avogadro project. + This source code is released under the 3-Clause BSD License, (see "LICENSE"). +******************************************************************************/ + +#ifndef AVOGADRO_CALC_ENERGYMANAGER_H +#define AVOGADRO_CALC_ENERGYMANAGER_H + +#include "avogadrocalcexport.h" + +#include +#include +#include + +#include +#include +#include +#include + +namespace Avogadro { +namespace Core { +class Molecule; +} +namespace Calc { + +class EnergyCalculator; + +/** + * @class EnergyManager chargemanager.h + * + * @brief Class to manage registration, searching and creation of force field + * (energy) calculators. + * @author Geoffrey R. Hutchison + * + * The energy manager is a singleton class that handles the runtime + * registration, search, creation and eventual destruction of calculators + * for geometry optimization and molecular dynamics. + * It can be used to gain a listing of available models, register new + * models, etc. + * + * All energy calculation can take place independent of this code, but for + * automated registration and look up, this is the preferred API. + */ +class AVOGADROCALC_EXPORT EnergyManager +{ +public: + /** + * Get the singleton instance of the energy manager. This instance should + * not be deleted. + */ + static EnergyManager& instance(); + + /** + * @brief Register a new model with the manager. + * @param model An instance of the calculator to manage, the manager assumes + * ownership of the object passed in. + * @return True on success, false on failure. + */ + static bool registerModel(EnergyCalculator* model); + + /** + * @brief Unregister a charge model from the manager. + * @param identifier The identifier for the model to remove. + * @return True on success, false on failure. + */ + static bool unregisterModel(const std::string& identifier); + + /** + * Add the supplied @p model to the manager, registering its ID and other + * relevant data for later lookup. The manager assumes ownership of the + * supplied object. + * @return True on success, false on failure. + */ + bool addModel(EnergyCalculator* model); + + /** + * Remove the model with the identifier @a identifier from the manager. + * @return True on success, false on failure. + */ + bool removeModel(const std::string& identifier); + + /** + * New instance of the model for the specified @p identifier. Ownership + * is passed to the caller. + * @param identifier The unique identifier of the model. + * @return Instance of the model, nullptr if not found. Ownership passes to + * the caller. + */ + EnergyCalculator* model(const std::string& identifier) const; + + /** + * Get a list of all loaded identifiers + */ + std::set identifiers() const; + + /** + * @brief Get a list of models that work for this molecule. + * + * This is probably the method you want to get a list for a user + */ + std::set identifiersForMolecule( + const Core::Molecule& molecule) const; + + /** + * @brief Get the name of the model for the specified identifier. + * + * The name is a user-visible string, and may be translated. + * @param identifier The unique identifier of the model. + * @return The name of the model, or an empty string if not found. + */ + std::string nameForModel(const std::string& identifier) const; + + /** + * Get any errors that have been logged when loading models. + */ + std::string error() const; + +private: + typedef std::map ModelIdMap; + + EnergyManager(); + ~EnergyManager(); + + EnergyManager(const EnergyManager&); // Not implemented. + EnergyManager& operator=(const EnergyManager&); // Not implemented. + + /** + * @brief Append warnings/errors to the error message string. + * @param errorMessage The error message to append. + */ + void appendError(const std::string& errorMessage); + + std::vector m_models; + mutable ModelIdMap m_identifiers; + mutable std::map m_identifierToName; + + std::string m_error; +}; + +} // namespace Calc +} // namespace Avogadro + +#endif // AVOGADRO_CALC_ENERGYMANAGER_H diff --git a/avogadro/calc/lennardjones.cpp b/avogadro/calc/lennardjones.cpp new file mode 100644 index 0000000000..be9ffc2927 --- /dev/null +++ b/avogadro/calc/lennardjones.cpp @@ -0,0 +1,184 @@ +/****************************************************************************** + This source file is part of the Avogadro project. + This source code is released under the 3-Clause BSD License, (see "LICENSE"). +******************************************************************************/ + +#include "lennardjones.h" + +#include +#include +#include + +namespace Avogadro::Calc { + +LennardJones::LennardJones() + : m_vdw(true), m_depth(100.0), m_exponent(6), m_cell(nullptr), + m_molecule(nullptr) +{ + // defined for 1-118 + for (unsigned int i = 1; i <= 118; ++i) { + m_elements.set(i); + } +} + +LennardJones::~LennardJones() {} + +void LennardJones::setMolecule(Core::Molecule* mol) +{ + m_molecule = mol; + + if (mol == nullptr) { + return; // nothing to do + } + + m_mask = mol->frozenAtomMask(); + + m_cell = mol->unitCell(); // could be nullptr + int numAtoms = mol->atomCount(); + + // track atomic radii for this molecule + m_radii.setZero(); + Eigen::MatrixXd radii(numAtoms, numAtoms); + Eigen::MatrixXd mask(numAtoms * 3, 1); + mask.setOnes(); + m_mask = mask; + + for (Index i = 0; i < numAtoms; ++i) { + Core::Atom atom1 = mol->atom(i); + unsigned char number1 = atom1.atomicNumber(); + double r1; + if (m_vdw) + r1 = Core::Elements::radiusVDW(number1); + else + r1 = Core::Elements::radiusCovalent(number1); + + for (Index j = i + 1; j < numAtoms; ++j) { + Core::Atom atom2 = mol->atom(j); + unsigned char number2 = atom2.atomicNumber(); + double r2; + if (m_vdw) + r2 = Core::Elements::radiusVDW(number2); + else + r2 = Core::Elements::radiusCovalent(number2); + + radii(i, j) = r1 + r2; // expected distance + } + } + + m_radii = radii; +} + +Real LennardJones::value(const Eigen::VectorXd& x) +{ + if (!m_molecule) + return 0.0; + + // FYI https://en.wikipedia.org/wiki/Lennard-Jones_potential + //@todo handle unit cells and minimum distances + int numAtoms = m_molecule->atomCount(); + + Real energy = 0.0; + // we put the conditional here outside the double loop + if (m_cell == nullptr) { + // regular molecule + for (Index i = 0; i < numAtoms; ++i) { + Vector3 ipos(x[3 * i], x[3 * i + 1], x[3 * i + 2]); + for (Index j = i + 1; j < numAtoms; ++j) { + Vector3 jpos(x[3 * j], x[3 * j + 1], x[3 * j + 2]); + Real r = (ipos - jpos).norm(); + if (r < 0.1) + r = 0.1; // ensure we don't divide by zero + + Real ratio = pow((m_radii(i, j) / r), m_exponent); + energy += m_depth * (ratio * ratio - 2.0 * (ratio)); + } + } + } else { + // use the unit cell to get minimum distances + for (Index i = 0; i < numAtoms; ++i) { + Vector3 ipos(x[3 * i], x[3 * i + 1], x[3 * i + 2]); + for (Index j = i + 1; j < numAtoms; ++j) { + Vector3 jpos(x[3 * j], x[3 * j + 1], x[3 * j + 2]); + Real r = m_cell->distance(ipos, jpos); + if (r < 0.1) + r = 0.1; // ensure we don't divide by zero + + Real ratio = pow((m_radii(i, j) / r), m_exponent); + energy += m_depth * (ratio * ratio - 2.0 * (ratio)); + } + } + } + + // qDebug() << " lj: " << energy; + return energy; +} + +void LennardJones::gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) +{ + if (!m_molecule) + return; + + // clear the gradients + grad.setZero(); + + int numAtoms = m_molecule->atomCount(); + // we put the conditional here outside the double loop + if (m_cell == nullptr) { + // regular molecule + for (Index i = 0; i < numAtoms; ++i) { + Vector3 ipos(x[3 * i], x[3 * i + 1], x[3 * i + 2]); + for (Index j = i + 1; j < numAtoms; ++j) { + Vector3 jpos(x[3 * j], x[3 * j + 1], x[3 * j + 2]); + Vector3 force = ipos - jpos; + + Real r = force.norm(); + if (r < 0.1) + r = 0.1; // ensure we don't divide by zero + + Real rad = pow(m_radii(i, j), m_exponent); + Real term1 = -2 * (m_exponent)*rad * rad * pow(r, -2 * m_exponent - 1); + Real term2 = 2 * (m_exponent)*rad * pow(r, -1 * m_exponent - 1); + Real dE = m_depth * (term1 + term2); + + force = (dE / r) * force; + + // update gradients + for (unsigned int c = 0; c < 3; ++c) { + grad[3 * i + c] += force[c]; + grad[3 * j + c] -= force[c]; + } + } + } + } else { + // unit cell + for (Index i = 0; i < numAtoms; ++i) { + Vector3 ipos(x[3 * i], x[3 * i + 1], x[3 * i + 2]); + for (Index j = i + 1; j < numAtoms; ++j) { + Vector3 jpos(x[3 * j], x[3 * j + 1], x[3 * j + 2]); + Vector3 force = m_cell->minimumImage(ipos - jpos); + + Real r = force.norm(); + if (r < 0.1) + r = 0.1; // ensure we don't divide by zero + + Real rad = pow(m_radii(i, j), m_exponent); + Real term1 = -2 * (m_exponent)*rad * rad * pow(r, -2 * m_exponent - 1); + Real term2 = 2 * (m_exponent)*rad * pow(r, -1 * m_exponent - 1); + Real dE = m_depth * (term1 + term2); + + force = (dE / r) * force; + + // update gradients + for (unsigned int c = 0; c < 3; ++c) { + grad[3 * i + c] += force[c]; + grad[3 * j + c] -= force[c]; + } + } + } + } + + // handle any constraints + cleanGradients(grad); +} + +} // namespace Avogadro::Calc diff --git a/avogadro/calc/lennardjones.h b/avogadro/calc/lennardjones.h new file mode 100644 index 0000000000..3334ffe48d --- /dev/null +++ b/avogadro/calc/lennardjones.h @@ -0,0 +1,64 @@ +/****************************************************************************** + This source file is part of the Avogadro project. + This source code is released under the 3-Clause BSD License, (see "LICENSE"). +******************************************************************************/ + +#ifndef AVOGADRO_CALC_LENNARDJONES_H +#define AVOGADRO_CALC_LENNARDJONES_H + +#include "avogadrocalcexport.h" + +#include + +namespace Avogadro { +namespace Core { +class Molecule; +class UnitCell; +} // namespace Core + +namespace Calc { + +class AVOGADROCALC_EXPORT LennardJones : public EnergyCalculator +{ +public: + LennardJones(); + ~LennardJones(); + + LennardJones* newInstance() const override { return new LennardJones; } + + std::string identifier() const override { return "LJ"; } + + std::string name() const override { return "Lennard-Jones"; } + + std::string description() const override + { + return "Universal Lennard-Jones potential"; + } + + bool acceptsUnitCell() const override { return true; } + + Core::Molecule::ElementMask elements() const override { return (m_elements); } + + Real value(const Eigen::VectorXd& x) override; + void gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) override; + + /** + * Called when the current molecule changes. + */ + void setMolecule(Core::Molecule* mol) override; + +protected: + Core::Molecule* m_molecule; + Core::UnitCell* m_cell; + Eigen::MatrixXd m_radii; + bool m_vdw; + Real m_depth; + int m_exponent; + + Core::Molecule::ElementMask m_elements; +}; + +} // namespace Calc +} // namespace Avogadro + +#endif // AVOGADRO_CALC_LENNARDJONES_H diff --git a/avogadro/calc/lennardjonesdata.h b/avogadro/calc/lennardjonesdata.h new file mode 100644 index 0000000000..14aa971f6e --- /dev/null +++ b/avogadro/calc/lennardjonesdata.h @@ -0,0 +1,198 @@ +/***************************************************************************** +# CDDL HEADER START +# +# The contents of this file are subject to the terms of the Common Development +# and Distribution License Version 1.0 (the "License"). +# +# You can obtain a copy of the license at +# http://www.opensource.org/licenses/CDDL-1.0. See the License for the +# specific language governing permissions and limitations under the License. +# +# When distributing Covered Code, include this CDDL HEADER in each file and +# include the License file in a prominent location with the name LICENSE.CDDL. +# If applicable, add the following below this CDDL HEADER, with the fields +# enclosed by brackets "[]" replaced with your own identifying information: +# +# Portions Copyright (c) [yyyy] [name of copyright owner]. All rights reserved. +# +# CDDL HEADER END +# + +# +# Copyright (c) 2015, Regents of the University of Minnesota. +# All rights reserved. +# +# Contributors: +# Ryan S. Elliott +# Andrew Akerson +# + +# * Sigma parameters are set to (2^{-1/6})*r_0, where r_0 is the atomic +# covalent radius. Covalent radii for elements 1--96 were taken from Wolfram +# Mathematica's `ElementData["CovalentRadius"]' command. Covalent radii for +# elements 97--118 were taken from Fig. 3 of the article Pyykko, M. Atsumi, +# J. Chem. Eur. J. 15 (2009) 12770. +# +# * Epsilon parameters are set to the bond dissociation energy. Bond +# dissociation energies for elements 1--55, 57--60, and 61--84 were taken +# from the CRC Handbook of Chemistry and Physics, 91st Edition, +# Ed. W.H. Haynes, 2010. (as posted here: +# http://staff.ustc.edu.cn/~luo971/2010-91-CRC-BDEs-Tables.pdf) +# +# The value (cohesive energy, in this case) for element 56 was obtained from +# p. 50 in Charles Kittel. Introduction to Solid State Physics, 8th +# edition. Hoboken, NJ: John Wiley & Sons, Inc, 2005. +# +# The bond dissociation energy value for element 61 was obtained from +# "Interpolation scheme for the cohesive energies for the lanthanides and +# actinides" Borje Johansson and Anders Rosengren, Phys. Rev. B 11, 1367 +# (1975). +# +# The bond dissociation energies for elements 85--118 were not found in the +# literature. Thus, the values used here are approximated by subtracting 10% +# from the value for the element in the same Group (column) and previous +# Period (row) of the periodic table. +*****************************************************************************/ + +// Formatted as a C / C++ header for Avogadro +// from OpenKIM LennardJones612_UniversalShifted.txt +// https://doi.org/10.25950/962b4967 + +// This is a 'universal' parameterization for the LennardJones612 model driver +// for all species types supported by the KIM API. The parameterization uses a +// shifted cutoff so that all interactions have a continuous energy function at +// the cutoff radius. + +// This model was automatically fit using Lorentz-Berthelot mixing rules. It +// reproduces the dimer equilibrium separation (covalent radii) and the bond +// dissociation energies. It has not been fitted to other physical properties +// and its ability to model structures other than dimers is unknown. + +#ifndef AVOGADRO_CALC_LENNARDJONES_DATA +#define AVOGADRO_CALC_LENNARDJONES_DATA + +// values are # cutoff # epsilon # sigma +// cutoff and sigmas are in units of Angstroms +// epsilon are in units of Electron Volts + +float ljparams[][3] = { { 4.0, 1.0, 1.0 }, // dummy + { 2.2094300, 4.4778900, 0.5523570 }, // hydrogen + { 1.9956100, 0.0009421, 0.4989030 }, + { 9.1228000, 1.0496900, 2.2807000 }, + { 6.8421000, 0.5729420, 1.7105300 }, + { 6.0581100, 2.9670300, 1.5145300 }, + { 5.4166600, 6.3695300, 1.3541700 }, + { 5.0603000, 9.7537900, 1.2650800 }, + { 4.7039500, 5.1264700, 1.1759900 }, + { 4.0625000, 1.6059200, 1.0156200 }, + { 4.1337700, 0.0036471, 1.0334400 }, + { 11.8311000, 0.7367450, 2.9577800 }, + { 10.0493000, 0.0785788, 2.5123300 }, + { 8.6239000, 2.7006700, 2.1559700 }, + { 7.9111800, 3.1743100, 1.9778000 }, + { 7.6260900, 5.0305000, 1.9065200 }, + { 7.4835500, 4.3692700, 1.8708900 }, + { 7.2697300, 4.4832800, 1.8174300 }, + { 7.5548200, 0.0123529, 1.8887100 }, + { 14.4682000, 0.5517990, 3.6170500 }, + { 12.5439000, 0.1326790, 3.1359600 }, + { 12.1162000, 1.6508000, 3.0290600 }, + { 11.4035000, 1.1802700, 2.8508800 }, + { 10.9046000, 2.7524900, 2.7261500 }, + { 9.9067900, 1.5367900, 2.4767000 }, + { 9.9067900, 0.5998880, 2.4767000 }, + { 9.4078900, 1.1844200, 2.3519700 }, + { 8.9802600, 1.2776900, 2.2450600 }, + { 8.8377200, 2.0757200, 2.2094300 }, + { 9.4078900, 2.0446300, 2.3519700 }, + { 8.6951700, 0.1915460, 2.1737900 }, + { 8.6951700, 1.0642000, 2.1737900 }, + { 8.5526300, 2.7017100, 2.1381600 }, + { 8.4813600, 3.9599000, 2.1203400 }, + { 8.5526300, 3.3867700, 2.1381600 }, + { 8.5526300, 1.9706300, 2.1381600 }, + { 8.2675400, 0.0173276, 2.0668900 }, + { 15.6798000, 0.4682650, 3.9199500 }, + { 13.8980000, 0.1339230, 3.4745100 }, + { 13.5417000, 2.7597500, 3.3854200 }, + { 12.4726000, 3.0520100, 3.1181500 }, + { 11.6886000, 5.2782000, 2.9221500 }, + { 10.9759000, 4.4749900, 2.7439700 }, + { 10.4770000, 3.3815900, 2.6192400 }, + { 10.4057000, 1.9617200, 2.6014200 }, + { 10.1206000, 2.4058200, 2.5301500 }, + { 9.9067900, 1.3709700, 2.4767000 }, + { 10.3344000, 1.6497600, 2.5836100 }, + { 10.2632000, 0.0377447, 2.5657900 }, + { 10.1206000, 0.8113140, 2.5301500 }, + { 9.9067900, 1.9005700, 2.4767000 }, + { 9.9067900, 3.0882800, 2.4767000 }, + { 9.8355200, 2.6312300, 2.4588800 }, + { 9.9067900, 1.5393800, 2.4767000 }, + { 9.9780700, 0.0238880, 2.4945200 }, + { 17.3903000, 0.4166420, 4.3475900 }, + { 15.3235000, 1.9000000, 3.8308600 }, + { 14.7533000, 2.4996100, 3.6883200 }, + { 14.5395000, 2.5700800, 3.6348700 }, + { 14.4682000, 1.2994600, 3.6170500 }, + { 14.3257000, 0.8196050, 3.5814100 }, + { 14.1831000, 3.2413400, 3.5457800 }, + { 14.1118000, 0.5211220, 3.5279600 }, + { 14.1118000, 0.4299180, 3.5279600 }, + { 13.9693000, 2.0995600, 3.4923200 }, + { 13.8267000, 1.3999900, 3.4566900 }, + { 13.6842000, 0.6900550, 3.4210500 }, + { 13.6842000, 0.6900550, 3.4210500 }, + { 13.4704000, 0.7387660, 3.3676000 }, + { 13.5417000, 0.5211220, 3.3854200 }, + { 13.3278000, 0.1303990, 3.3319600 }, + { 13.3278000, 1.4331500, 3.3319600 }, + { 12.4726000, 3.3608600, 3.1181500 }, + { 12.1162000, 4.0034300, 3.0290600 }, + { 11.5460000, 6.8638900, 2.8865100 }, + { 10.7621000, 4.4387100, 2.6905100 }, + { 10.2632000, 4.2625300, 2.5657900 }, + { 10.0493000, 3.7028700, 2.5123300 }, + { 9.6929800, 3.1401000, 2.4232400 }, + { 9.6929800, 2.3058000, 2.4232400 }, + { 9.4078900, 0.0454140, 2.3519700 }, + { 10.3344000, 0.5770870, 2.5836100 }, + { 10.4057000, 0.8589880, 2.6014200 }, + { 10.5482000, 2.0798700, 2.6370600 }, + { 9.9780700, 1.8995300, 2.4945200 }, + { 10.6908000, 1.3854420, 2.6727000 }, + { 10.6908000, 0.0214992, 2.6727000 }, + { 18.5307000, 0.3749778, 4.6326700 }, + { 15.7511000, 1.7100000, 3.9377700 }, + { 15.3235000, 2.2496490, 3.8308600 }, + { 14.6820000, 2.3130720, 3.6705000 }, + { 14.2544000, 1.1695140, 3.5635900 }, + { 13.9693000, 0.7376445, 3.4923200 }, + { 13.5417000, 2.9172060, 3.3854200 }, + { 13.3278000, 0.4690098, 3.3319600 }, + { 12.8289000, 0.3869262, 3.2072400 }, + { 12.0450000, 1.8896040, 3.0112400 }, + { 11.9737000, 1.2599910, 2.9934200 }, + { 11.9737000, 0.6210495, 2.9934200 }, + { 11.7599000, 0.6210495, 2.9399700 }, + { 11.9024000, 0.6648894, 2.9756000 }, + { 12.3300000, 0.4690098, 3.0825100 }, + { 12.5439000, 0.1173591, 3.1359600 }, + { 11.4748000, 1.2898350, 2.8686900 }, + { 11.1897000, 3.0247740, 2.7974200 }, + { 10.6195000, 3.6030870, 2.6548800 }, + { 10.1919000, 6.1775010, 2.5479700 }, + { 10.0493000, 3.9948390, 2.5123300 }, + { 9.5504300, 3.8362770, 2.3876100 }, + { 9.1940700, 3.3325830, 2.2985200 }, + { 9.1228000, 2.8260900, 2.2807000 }, + { 8.6239000, 2.0752200, 2.1559700 }, + { 8.6951700, 0.0408726, 2.1737900 }, + { 9.6929800, 0.5193783, 2.4232400 }, + { 10.1919000, 0.7730892, 2.5479700 }, + { 11.5460000, 1.8718830, 2.8865100 }, + { 12.4726000, 1.7095770, 3.1181500 }, + { 11.7599000, 1.2468978, 2.9399700 }, + { 11.1897000, 0.0193493, 2.7974200 } }; + +#endif // AVOGADRO_CALC_LENNARDJONES_DATA_H \ No newline at end of file diff --git a/avogadro/core/molecule.cpp b/avogadro/core/molecule.cpp index 458502dfd0..3b0484cb87 100644 --- a/avogadro/core/molecule.cpp +++ b/avogadro/core/molecule.cpp @@ -49,6 +49,7 @@ Molecule::Molecule(const Molecule& other) m_residues(other.m_residues), m_hallNumber(other.m_hallNumber), m_graph(other.m_graph), m_bondOrders(other.m_bondOrders), m_atomicNumbers(other.m_atomicNumbers), + m_frozenAtomMask(other.m_frozenAtomMask), m_layers(LayerManager::getMoleculeLayer(this)) { // Copy over any meshes @@ -90,6 +91,7 @@ Molecule::Molecule(Molecule&& other) noexcept m_residues(other.m_residues), m_hallNumber(other.m_hallNumber), m_graph(other.m_graph), m_bondOrders(other.m_bondOrders), m_atomicNumbers(other.m_atomicNumbers), + m_frozenAtomMask(other.m_frozenAtomMask), m_layers(LayerManager::getMoleculeLayer(this)) { m_basisSet = other.m_basisSet; @@ -133,6 +135,7 @@ Molecule& Molecule::operator=(const Molecule& other) m_bondOrders = other.m_bondOrders; m_atomicNumbers = other.m_atomicNumbers; m_hallNumber = other.m_hallNumber; + m_frozenAtomMask = other.m_frozenAtomMask; clearMeshes(); @@ -193,6 +196,7 @@ Molecule& Molecule::operator=(Molecule&& other) noexcept m_bondOrders = other.m_bondOrders; m_atomicNumbers = other.m_atomicNumbers; m_hallNumber = other.m_hallNumber; + m_frozenAtomMask = other.m_frozenAtomMask; clearMeshes(); m_meshes = std::move(other.m_meshes); @@ -267,6 +271,59 @@ std::set Molecule::partialChargeTypes() const return types; } +void Molecule::setFrozenAtom(Index atomId, bool frozen) +{ + if (atomId >= m_atomicNumbers.size()) + return; + + // check if we need to resize + unsigned int size = m_frozenAtomMask.rows(); + if (m_frozenAtomMask.rows() != 3*m_atomicNumbers.size()) + m_frozenAtomMask.conservativeResize(3*m_atomicNumbers.size()); + + // do we need to initialize new values? + if (m_frozenAtomMask.rows() > size) + for (unsigned int i = size; i < m_frozenAtomMask.rows(); ++i) + m_frozenAtomMask[i] = 1.0; + + float value = frozen ? 0.0 : 1.0; + if (atomId * 3 <= m_frozenAtomMask.rows() - 3) { + m_frozenAtomMask[atomId*3] = value; + m_frozenAtomMask[atomId*3+1] = value; + m_frozenAtomMask[atomId*3+2] = value; + } +} + +bool Molecule::frozenAtom(Index atomId) const +{ + bool frozen = false; + if (atomId * 3 <= m_frozenAtomMask.rows() - 3) { + frozen = (m_frozenAtomMask[atomId*3] == 0.0 && + m_frozenAtomMask[atomId*3+1] == 0.0 && + m_frozenAtomMask[atomId*3+2] == 0.0); + } + return frozen; +} + +void Molecule::setFrozenAtomAxis(Index atomId, int axis, bool frozen) +{ + // check if we need to resize + unsigned int size = m_frozenAtomMask.rows(); + if (m_frozenAtomMask.rows() != 3*m_atomicNumbers.size()) + m_frozenAtomMask.conservativeResize(3*m_atomicNumbers.size()); + + // do we need to initialize new values? + if (m_frozenAtomMask.rows() > size) + for (unsigned int i = size; i < m_frozenAtomMask.rows(); ++i) + m_frozenAtomMask[i] = 1.0; + + float value = frozen ? 0.0 : 1.0; + if (atomId * 3 <= m_frozenAtomMask.rows() - 3) { + m_frozenAtomMask[atomId*3 + axis] = value; + } +} + + void Molecule::setData(const std::string& name, const Variant& value) { m_data.setValue(name, value); diff --git a/avogadro/core/molecule.h b/avogadro/core/molecule.h index f2b921ebea..b4c61297d3 100644 --- a/avogadro/core/molecule.h +++ b/avogadro/core/molecule.h @@ -693,6 +693,26 @@ class AVOGADROCORE_EXPORT Molecule */ bool setAtomicNumber(Index atomId, unsigned char atomicNumber); + /** + * Freeze or unfreeze an atom for optimization + */ + void setFrozenAtom(Index atomId, bool frozen); + + /** + * Get the frozen status of an atom + */ + bool frozenAtom(Index atomId) const; + + /** + * Freeze or unfreeze X, Y, or Z coordinate of an atom for optimization + * @param atomId The index of the atom to modify. + * @param axis The axis to freeze (0, 1, or 2 for X, Y, or Z) + * @param frozen True to freeze, false to unfreeze + */ + void setFrozenAtomAxis(Index atomId, int axis, bool frozen); + + Eigen::VectorXd frozenAtomMask() const { return m_frozenAtomMask; } + /** * @return a map of components and count. */ @@ -763,6 +783,8 @@ class AVOGADROCORE_EXPORT Molecule // This will be stored from the last space group operation unsigned short m_hallNumber = 0; + Eigen::VectorXd m_frozenAtomMask; + private: mutable Graph m_graph; // A transformation of the molecule to a graph. // edge information diff --git a/avogadro/core/unitcell.h b/avogadro/core/unitcell.h index 99ef4de1db..8565f95a2a 100644 --- a/avogadro/core/unitcell.h +++ b/avogadro/core/unitcell.h @@ -342,7 +342,7 @@ inline Vector3 UnitCell::minimumImage(const Vector3& v) const inline Real UnitCell::distance(const Vector3& v1, const Vector3& v2) const { - return std::fabs(minimumImage(v1 - v2).norm()); + return minimumImage(v1 - v2).norm(); } } // namespace Core diff --git a/avogadro/qtgui/pythonscript.cpp b/avogadro/qtgui/pythonscript.cpp index b075b91b75..56896fbdc2 100644 --- a/avogadro/qtgui/pythonscript.cpp +++ b/avogadro/qtgui/pythonscript.cpp @@ -221,6 +221,35 @@ void PythonScript::processFinished(int, QProcess::ExitStatus) emit finished(); } +void PythonScript::asyncTerminate() +{ + if (m_process != nullptr) { + disconnect(m_process, nullptr, nullptr, nullptr); + m_process->kill(); + m_process->deleteLater(); + m_process = nullptr; + } +} + +QByteArray PythonScript::asyncWriteAndResponse(QByteArray input) +{ + if (m_process == nullptr) { + return QByteArray(); // wait + } + + m_process->write(input); + QByteArray buffer; + + bool ready = m_process->waitForReadyRead(); + if (ready) { + while (m_process->canReadLine()) { + buffer += m_process->readLine(); + } + } + + return buffer; +} + QByteArray PythonScript::asyncResponse() { if (m_process == nullptr || m_process->state() == QProcess::Running) { diff --git a/avogadro/qtgui/pythonscript.h b/avogadro/qtgui/pythonscript.h index 28a259ce3e..5e50ed990c 100644 --- a/avogadro/qtgui/pythonscript.h +++ b/avogadro/qtgui/pythonscript.h @@ -12,9 +12,9 @@ #include #include +#include #include #include -#include namespace Avogadro { namespace QtGui { @@ -92,11 +92,26 @@ class AVOGADROQTGUI_EXPORT PythonScript : public QObject * Start a new process to execute asynchronously * " [args ...]", * optionally passing scriptStdin to the processes standard input. - * + * * Will send asyncFinished() signal when finished */ void asyncExecute(const QStringList& args, - const QByteArray& scriptStdin = QByteArray()); + const QByteArray& scriptStdin = QByteArray()); + + /** + * Write input to the asynchronous process' standard input and return the + * standard output when ready. Does not wait for the process to terminate + * before returning (e.g. "server mode"). + * + * @param input The input to write to the process' standard input + * @return The standard output of the process + */ + QByteArray asyncWriteAndResponse(QByteArray input); + + /** + * Terminate the asynchronous process. + */ + void asyncTerminate(); /** * Returns the standard output of the asynchronous process when finished. @@ -104,9 +119,9 @@ class AVOGADROQTGUI_EXPORT PythonScript : public QObject QByteArray asyncResponse(); signals: -/** - * The asynchronous execution is finished or timed out - */ + /** + * The asynchronous execution is finished or timed out + */ void finished(); public slots: diff --git a/avogadro/qtplugins/CMakeLists.txt b/avogadro/qtplugins/CMakeLists.txt index 481930e876..016baca235 100644 --- a/avogadro/qtplugins/CMakeLists.txt +++ b/avogadro/qtplugins/CMakeLists.txt @@ -108,6 +108,7 @@ add_subdirectory(customelements) add_subdirectory(editor) add_subdirectory(fetchpdb) add_subdirectory(focus) +add_subdirectory(forcefield) add_subdirectory(hydrogens) add_subdirectory(importpqr) add_subdirectory(insertdna) @@ -250,7 +251,7 @@ target_sources(QtPlugins PRIVATE avogadro_add_library(QtPlugins ${HEADERS} ${SOURCES}) target_link_libraries(QtPlugins PUBLIC Qt::Core - PRIVATE ${AvogadroLibs_STATIC_PLUGINS} Avogadro::QtGui) + PRIVATE ${AvogadroLibs_STATIC_PLUGINS} Avogadro::QtGui Avogadro::Calc) if(QT_VERSION EQUAL 6) target_link_libraries(QtPlugins PRIVATE Qt6::OpenGLWidgets Qt6::Network) diff --git a/avogadro/qtplugins/forcefield/CMakeLists.txt b/avogadro/qtplugins/forcefield/CMakeLists.txt new file mode 100644 index 0000000000..62079d56a2 --- /dev/null +++ b/avogadro/qtplugins/forcefield/CMakeLists.txt @@ -0,0 +1,31 @@ +set(forcefield_srcs + forcefield.cpp + forcefielddialog.cpp + obmmenergy.cpp + scriptenergy.cpp +) + +avogadro_plugin(Forcefield + "Force field optimization and dynamics" + ExtensionPlugin + forcefield.h + Forcefield + "${forcefield_srcs}" + forcefielddialog.ui +) + +target_link_libraries(Forcefield PRIVATE Avogadro::Calc) + +# Bundled forcefield scripts +set(forcefields + scripts/ani2x.py + scripts/gaff.py + scripts/gfn1.py + scripts/gfn2.py + scripts/gfnff.py + scripts/mmff94.py + scripts/uff.py +) + +install(PROGRAMS ${forcefields} +DESTINATION "${INSTALL_LIBRARY_DIR}/avogadro2/scripts/energy/") diff --git a/avogadro/qtplugins/forcefield/forcefield.cpp b/avogadro/qtplugins/forcefield/forcefield.cpp new file mode 100644 index 0000000000..d97402e837 --- /dev/null +++ b/avogadro/qtplugins/forcefield/forcefield.cpp @@ -0,0 +1,436 @@ +/****************************************************************************** + This source file is part of the Avogadro project. + This source code is released under the 3-Clause BSD License, (see "LICENSE"). +******************************************************************************/ + +#include "forcefield.h" +#include "forcefielddialog.h" +#include "obmmenergy.h" +#include "scriptenergy.h" + +#include +#include + +#include +#include + +#include +#include +#include +#include + +#include +#include +#include +#include + +#include + +#include +#include + +#include +#include +#include +#include +#include +#include + +namespace Avogadro { +namespace QtPlugins { + +using Avogadro::Calc::EnergyCalculator; +using Avogadro::QtGui::Molecule; +using Avogadro::QtGui::RWMolecule; + +const int energyAction = 0; +const int optimizeAction = 1; +const int configureAction = 2; +const int freezeAction = 3; +const int unfreezeAction = 4; +const int constraintAction = 5; + +Forcefield::Forcefield(QObject* parent_) + : ExtensionPlugin(parent_), m_method(nullptr) +{ + QSettings settings; + settings.beginGroup("forcefield"); + m_autodetect = settings.value("autodetect", true).toBool(); + m_methodName = settings.value("forcefield", "LJ").toString().toStdString(); + m_nSteps = settings.value("steps", 10).toInt(); + m_maxSteps = settings.value("maxSteps", 250).toInt(); + m_tolerance = settings.value("tolerance", 1.0e-4).toDouble(); + m_gradientTolerance = settings.value("gradientTolerance", 1.0e-4).toDouble(); + settings.endGroup(); + + refreshScripts(); + /* @todo - finish OBMM interface + Calc::EnergyManager::registerModel(new OBMMEnergy("MMFF94")); + Calc::EnergyManager::registerModel(new OBMMEnergy("UFF")); + Calc::EnergyManager::registerModel(new OBMMEnergy("GAFF")); + */ + + QAction* action = new QAction(this); + action->setEnabled(true); + action->setText(tr("Optimize")); + action->setData(optimizeAction); + action->setProperty("menu priority", 920); + connect(action, SIGNAL(triggered()), SLOT(optimize())); + m_actions.push_back(action); + + action = new QAction(this); + action->setEnabled(true); + action->setText(tr("Energy")); // calculate energy + action->setData(energyAction); + action->setProperty("menu priority", 910); + connect(action, SIGNAL(triggered()), SLOT(energy())); + m_actions.push_back(action); + + action = new QAction(this); + action->setEnabled(true); + action->setText(tr("Configure…")); + action->setData(configureAction); + action->setProperty("menu priority", 900); + connect(action, SIGNAL(triggered()), SLOT(showDialog())); + m_actions.push_back(action); + + action = new QAction(this); + action->setSeparator(true); + m_actions.push_back(action); + + action = new QAction(this); + action->setEnabled(true); + action->setText(tr("Freeze Selected Atoms")); + action->setData(freezeAction); + connect(action, SIGNAL(triggered()), SLOT(freezeSelected())); + m_actions.push_back(action); + + action = new QAction(this); + action->setEnabled(true); + action->setText(tr("Unfreeze Selected Atoms")); + action->setData(unfreezeAction); + connect(action, SIGNAL(triggered()), SLOT(unfreezeSelected())); + m_actions.push_back(action); +} + +Forcefield::~Forcefield() {} + +QList Forcefield::actions() const +{ + return m_actions; +} + +QStringList Forcefield::menuPath(QAction* action) const +{ + QStringList path; + path << tr("&Extensions") << tr("&Calculate"); + return path; +} + +void Forcefield::showDialog() +{ + QStringList forceFields; + auto list = + Calc::EnergyManager::instance().identifiersForMolecule(*m_molecule); + for (auto option : list) { + forceFields << option.c_str(); + } + + QSettings settings; + QVariantMap options; + options["forcefield"] = m_methodName.c_str(); + options["nSteps"] = m_nSteps; + options["maxSteps"] = m_maxSteps; + options["tolerance"] = m_tolerance; + options["gradientTolerance"] = m_gradientTolerance; + options["autodetect"] = m_autodetect; + + QVariantMap results = ForceFieldDialog::prompt( + nullptr, forceFields, options, recommendedForceField().c_str()); + + if (!results.isEmpty()) { + // update settings + settings.beginGroup("forcefield"); + m_methodName = results["forcefield"].toString().toStdString(); + settings.setValue("forcefield", m_methodName.c_str()); + + m_maxSteps = results["maxSteps"].toInt(); + settings.setValue("maxSteps", m_maxSteps); + m_tolerance = results["tolerance"].toDouble(); + settings.setValue("tolerance", m_tolerance); + m_gradientTolerance = results["gradientTolerance"].toDouble(); + settings.setValue("gradientTolerance", m_gradientTolerance); + m_autodetect = results["autodetect"].toBool(); + settings.setValue("autodetect", m_autodetect); + settings.endGroup(); + } + setupMethod(); +} + +void Forcefield::setMolecule(QtGui::Molecule* mol) +{ + if (m_molecule == mol) + return; + + m_molecule = mol; + + setupMethod(); +} + +void Forcefield::setupMethod() +{ + if (m_autodetect) + m_methodName = recommendedForceField(); + + qDebug() << " setup method " << m_methodName.c_str() << " autodetect: " + << m_autodetect << " recommended " << recommendedForceField().c_str(); + + if (m_method == nullptr) { + // we have to create the calculator + m_method = Calc::EnergyManager::instance().model(m_methodName); + } else if (m_method->identifier() != m_methodName) { + delete m_method; // delete the previous one + m_method = Calc::EnergyManager::instance().model(m_methodName); + } + + m_method->setMolecule(m_molecule); +} + +void Forcefield::optimize() +{ + if (m_molecule == nullptr || m_method == nullptr) + return; + + // merge all coordinate updates into one step for undo + bool isInteractive = m_molecule->undoMolecule()->isInteractive(); + m_molecule->undoMolecule()->setInteractive(true); + + cppoptlib::ConjugatedGradientDescentSolver solver; + + int n = m_molecule->atomCount(); + + // double-check the mask + auto mask = m_molecule->frozenAtomMask(); + if (mask.rows() != 3*n) { + mask = Eigen::VectorXd::Zero(3 * n); + // set to 1.0 + for (Index i = 0; i < 3 * n; ++i) { + mask[i] = 1.0; + } + } + m_method->setMolecule(m_molecule); + m_method->setMask(mask); + + // we have to cast the current 3d positions into a VectorXd + Core::Array pos = m_molecule->atomPositions3d(); + double* p = pos[0].data(); + Eigen::Map map(p, 3 * n); + Eigen::VectorXd positions = map; + Eigen::VectorXd lastPositions = positions; + + Eigen::VectorXd gradient = Eigen::VectorXd::Zero(3 * n); + // just to get the right size / shape + // we'll use this to draw the force arrows later + Core::Array forces = m_molecule->atomPositions3d(); + + // Create a Criteria class so we can update coords every N steps + cppoptlib::Criteria crit = cppoptlib::Criteria::defaults(); + + // e.g., every N steps, update coordinates + crit.iterations = 5; + // we don't set function or gradient criteria + // .. these seem to be broken in the solver code + // .. so we handle ourselves + solver.setStopCriteria(crit); + + Real energy = m_method->value(positions); + m_method->gradient(positions, gradient); + qDebug() << " initial " << energy << " gradNorm: " << gradient.norm(); + qDebug() << " maxSteps" << m_maxSteps << " steps " << m_maxSteps / crit.iterations; + + Real currentEnergy = 0.0; + for (unsigned int i = 0; i < m_maxSteps / crit.iterations; ++i) { + solver.minimize(*m_method, positions); + + qApp->processEvents(QEventLoop::AllEvents, 500); + + currentEnergy = m_method->value(positions); + // get the current gradient for force visualization + m_method->gradient(positions, gradient); + qDebug() << " optimize " << i << currentEnergy + << " gradNorm: " << gradient.norm(); + + // update coordinates + bool isFinite = std::isfinite(currentEnergy); + if (isFinite) { + const double* d = positions.data(); + bool isFinite = true; + // casting back would be lovely... + for (size_t i = 0; i < n; ++i) { + if (!std::isfinite(*d) || !std::isfinite(*(d + 1)) || + !std::isfinite(*(d + 2))) { + isFinite = false; + break; + } + + pos[i] = Vector3(*(d), *(d + 1), *(d + 2)); + d += 3; + + forces[i] = -0.1 * Vector3(gradient[3 * i], gradient[3 * i + 1], + gradient[3 * i + 2]); + } + } + + // todo - merge these into one undo step + if (isFinite) { + m_molecule->undoMolecule()->setAtomPositions3d(pos, + tr("Optimize Geometry")); + m_molecule->setForceVectors(forces); + Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Modified; + m_molecule->emitChanged(changes); + lastPositions = positions; + + // check for convergence + /* + if (fabs(gradient.maxCoeff()) < m_gradientTolerance) + break; + if (fabs(currentEnergy - energy) < m_tolerance) + break; + */ + + energy = currentEnergy; + } else { + // reset to last positions + positions = lastPositions; + gradient = Eigen::VectorXd::Zero(3 * n); + } + } + + m_molecule->undoMolecule()->setInteractive(isInteractive); +} + +void Forcefield::energy() +{ + if (m_molecule == nullptr || m_method == nullptr) + return; + + int n = m_molecule->atomCount(); + // we have to cast the current 3d positions into a VectorXd + Core::Array pos = m_molecule->atomPositions3d(); + double* p = pos[0].data(); + Eigen::Map map(p, 3 * n); + Eigen::VectorXd positions = map; + + // now get the energy + m_method->setMolecule(m_molecule); + Real energy = m_method->value(positions); + + QString msg(tr("%1 Energy = %L2").arg(m_methodName.c_str()).arg(energy)); + QMessageBox::information(nullptr, tr("Avogadro"), msg); +} + +std::string Forcefield::recommendedForceField() const +{ + // if we have a unit cell, we need to use the LJ calculator + // (implementing something better would be nice) + if (m_molecule == nullptr || m_molecule->unitCell() != nullptr) + return "LJ"; + + // otherwise, let's see what identifers are returned + auto list = + Calc::EnergyManager::instance().identifiersForMolecule(*m_molecule); + if (list.empty()) + return "LJ"; // this will always work + + // iterate to see what we have + std::string bestOption; + for (auto option : list) { + // ideally, we'd use GFN-FF but it needs tweaking + // everything else is a ranking + // GAFF is better than MMFF94 which is better than UFF + if (option == "UFF" && bestOption != "GAFF" && bestOption != "MMFF94") + bestOption = option; + if (option == "MMFF94" && bestOption != "GAFF") + bestOption = option; + } + if (!bestOption.empty()) + return bestOption; + else + return "LJ"; // this will always work +} + +void Forcefield::freezeSelected() +{ + if (!m_molecule) + return; + + int numAtoms = m_molecule->atomCount(); + // now freeze the specified atoms + for (Index i = 0; i < numAtoms; ++i) { + if (m_molecule->atomSelected(i)) { + m_molecule->setFrozenAtom(i, true); + } + } +} + +void Forcefield::unfreezeSelected() +{ + if (!m_molecule) + return; + + int numAtoms = m_molecule->atomCount(); + // now freeze the specified atoms + for (Index i = 0; i < numAtoms; ++i) { + if (m_molecule->atomSelected(i)) { + m_molecule->setFrozenAtom(i, false); + } + } +} + +void Forcefield::refreshScripts() +{ + unregisterScripts(); + qDeleteAll(m_scripts); + m_scripts.clear(); + + QMap scriptPaths = + QtGui::ScriptLoader::scriptList("energy"); + foreach (const QString& filePath, scriptPaths) { + auto* model = new ScriptEnergy(filePath); + if (model->isValid()) + m_scripts.push_back(model); + else + delete model; + } + + registerScripts(); +} + +void Forcefield::unregisterScripts() +{ + for (QList::const_iterator + it = m_scripts.constBegin(), + itEnd = m_scripts.constEnd(); + it != itEnd; ++it) { + Calc::EnergyManager::unregisterModel((*it)->identifier()); + } +} + +void Forcefield::registerScripts() +{ + for (QList::const_iterator + it = m_scripts.constBegin(), + itEnd = m_scripts.constEnd(); + it != itEnd; ++it) { + + qDebug() << " register " << (*it)->identifier().c_str(); + + if (!Calc::EnergyManager::registerModel((*it)->newInstance())) { + qDebug() << "Could not register model" << (*it)->identifier().c_str() + << "due to name conflict."; + } + } +} + +} // namespace QtPlugins +} // namespace Avogadro diff --git a/avogadro/qtplugins/forcefield/forcefield.h b/avogadro/qtplugins/forcefield/forcefield.h new file mode 100644 index 0000000000..05170b66cf --- /dev/null +++ b/avogadro/qtplugins/forcefield/forcefield.h @@ -0,0 +1,98 @@ +/****************************************************************************** + This source file is part of the Avogadro project. + This source code is released under the 3-Clause BSD License, (see "LICENSE"). +******************************************************************************/ + +#ifndef AVOGADRO_QTPLUGINS_FORCEFIELD_H +#define AVOGADRO_QTPLUGINS_FORCEFIELD_H + +#include + +#include +#include + +class QAction; +class QDialog; + +namespace Avogadro { + +namespace Calc { +class EnergyCalculator; +} + +namespace QtPlugins { + +/** + * @brief The Forcefield class implements the extension interface for + * forcefield (and other) optimization + * @author Geoffrey R. Hutchison + */ +class Forcefield : public QtGui::ExtensionPlugin +{ + Q_OBJECT + +public: + enum Minimizer + { + SteepestDescent = 0, + ConjugateGradients, + LBFGS, + FIRE, + }; + + explicit Forcefield(QObject* parent = 0); + ~Forcefield() override; + + QString name() const override { return tr("Forcefield optimization"); } + + QString description() const override + { + return tr("Forcefield minimization, including scripts"); + } + + QList actions() const override; + + QStringList menuPath(QAction*) const override; + + void setMolecule(QtGui::Molecule* mol) override; + void setupMethod(); + + std::string recommendedForceField() const; + +public slots: + /** + * Scan for new scripts in the Forcefield directories. + */ + void refreshScripts(); + void registerScripts(); + void unregisterScripts(); + + void showDialog(); + +private slots: + void energy(); + void optimize(); + void freezeSelected(); + void unfreezeSelected(); + +private: + QList m_actions; + QtGui::Molecule* m_molecule = nullptr; + Calc::EnergyCalculator* m_method = nullptr; + std::string m_methodName; + bool m_autodetect; + + // defaults + Minimizer m_minimizer = LBFGS; + unsigned int m_maxSteps = 100; + unsigned int m_nSteps = 5; + double m_tolerance = 1.0e-6; + double m_gradientTolerance = 1.0e-4; + + QList m_scripts; +}; + +} // namespace QtPlugins +} // namespace Avogadro + +#endif // AVOGADRO_QTPLUGINS_FORCEFIELD_H diff --git a/avogadro/qtplugins/forcefield/forcefielddialog.cpp b/avogadro/qtplugins/forcefield/forcefielddialog.cpp new file mode 100644 index 0000000000..6997467780 --- /dev/null +++ b/avogadro/qtplugins/forcefield/forcefielddialog.cpp @@ -0,0 +1,127 @@ +/****************************************************************************** + This source file is part of the Avogadro project. + This source code is released under the 3-Clause BSD License, (see "LICENSE"). +******************************************************************************/ + +#include "forcefielddialog.h" +#include "ui_forcefielddialog.h" + +#include +#include +#include +#include + +#include // for log10 + +namespace Avogadro { +namespace QtPlugins { + +ForceFieldDialog::ForceFieldDialog(const QStringList& forceFields, + QWidget* parent_) + : QDialog(parent_), ui(new Ui::ForceFieldDialog) +{ + ui->setupUi(this); + ui->forceField->addItems(forceFields); + updateRecommendedForceField(); + + connect(ui->useRecommended, SIGNAL(toggled(bool)), + SLOT(useRecommendedForceFieldToggled(bool))); + + QSettings settings; + bool autoDetect = + settings.value("openbabel/optimizeGeometry/autoDetect", true).toBool(); + ui->useRecommended->setChecked(autoDetect); +} + +ForceFieldDialog::~ForceFieldDialog() +{ + delete ui; +} + +QVariantMap ForceFieldDialog::prompt(QWidget* parent_, + const QStringList& forceFields, + const QVariantMap& startingOptions, + const QString& recommendedForceField_) +{ + ForceFieldDialog dlg(forceFields, parent_); + dlg.setOptions(startingOptions); + dlg.setRecommendedForceField(recommendedForceField_); + + QVariantMap options; + if (static_cast(dlg.exec()) == Accepted) + options = dlg.options(); + + return options; +} + +QVariantMap ForceFieldDialog::options() const +{ + QVariantMap opts; + + opts["forcefield"] = ui->forceField->currentText(); + opts["maxSteps"] = ui->stepLimit->value(); + opts["tolerance"] = pow(10, ui->energyConv->value()); + opts["gradientTolerance"] = pow(10, ui->gradConv->value()); + opts["autodetect"] = ui->useRecommended->isChecked(); + + return opts; +} + +void ForceFieldDialog::setOptions(const QVariantMap& opts) +{ + if (opts.contains("forcefield") && opts["forcefield"].canConvert()) + ui->forceField->setCurrentText(opts["forcefield"].toString()); + if (opts.contains("maxSteps") && opts["maxSteps"].canConvert()) + ui->stepLimit->setValue(opts["maxSteps"].toInt()); + if (opts.contains("tolerance") && opts["tolerance"].canConvert()) + ui->energyConv->setValue(log10(opts["tolerance"].toDouble())); + if (opts.contains("gradientTolerance") && + opts["gradientTolerance"].canConvert()) + ui->gradConv->setValue(log10(opts["gradientTolerance"].toDouble())); + if (opts.contains("autodetect") && opts["autodetect"].canConvert()) + ui->useRecommended->setChecked(opts["autodetect"].toBool()); +} + +void ForceFieldDialog::setRecommendedForceField(const QString& rff) +{ + if (rff == m_recommendedForceField) + return; + + if (ui->forceField->findText(rff) == -1) + return; + + m_recommendedForceField = rff; + updateRecommendedForceField(); +} + +void ForceFieldDialog::useRecommendedForceFieldToggled(bool state) +{ + if (!m_recommendedForceField.isEmpty()) { + if (state) { + int index = ui->forceField->findText(m_recommendedForceField); + if (index >= 0) { + ui->forceField->setCurrentIndex(index); + } + } + } + ui->forceField->setEnabled(!state); + + QSettings().setValue("forcefield/autoDetect", state); +} + +void ForceFieldDialog::updateRecommendedForceField() +{ + if (m_recommendedForceField.isEmpty()) { + ui->useRecommended->hide(); + ui->forceField->setEnabled(true); + } else { + ui->useRecommended->setText( + tr("Autodetect (%1)").arg(m_recommendedForceField)); + // Force the combo box to update if needed: + useRecommendedForceFieldToggled(ui->useRecommended->isChecked()); + ui->useRecommended->show(); + } +} + +} // namespace QtPlugins +} // namespace Avogadro diff --git a/avogadro/qtplugins/forcefield/forcefielddialog.h b/avogadro/qtplugins/forcefield/forcefielddialog.h new file mode 100644 index 0000000000..8a6fb71c2a --- /dev/null +++ b/avogadro/qtplugins/forcefield/forcefielddialog.h @@ -0,0 +1,79 @@ +/****************************************************************************** + This source file is part of the Avogadro project. + This source code is released under the 3-Clause BSD License, (see "LICENSE"). +******************************************************************************/ + +#ifndef AVOGADRO_QTPLUGINS_FORCEFIELDDIALOG_H +#define AVOGADRO_QTPLUGINS_FORCEFIELDDIALOG_H + +#include + +namespace Avogadro { +namespace QtPlugins { + +namespace Ui { +class ForceFieldDialog; +} + +/** + * @brief The ForceFieldDialog class is used to prompt the user for parameters + * to be used in a force field optimization. + */ +class ForceFieldDialog : public QDialog +{ + Q_OBJECT + +public: + /** + * Construct a new dialog using the forcefields in @a forceFields. + */ + explicit ForceFieldDialog(const QStringList& forceFields, + QWidget* parent_ = 0); + ~ForceFieldDialog() override; + + /** + * Construct a new dialog using the forcefields in @a forceFields and + * initialize the options to those in @a startingOptions (see setOptions). + * If the user chooses the recommended force field, @a recommendedForceField_ + * will be set. This is useful for preferring a specific force field for a + * particular molecule. + * When the user closes the dialog, the options they selected are returned. If + * the user cancels the dialog, an empty list is returned. + */ + static QVariantMap prompt(QWidget* parent_, const QStringList& forceFields, + const QVariantMap& startingOptions, + const QString& recommendedForceField_ = QString()); + + /** + * Get/set the options displayed in the dialog. + */ + QVariantMap options() const; + void setOptions(const QVariantMap& opts); + + /** + * Get/set the recommended forcefield for the current molecule. If an empty + * string, the user will not be shown an option to use the recommended + * forcefield. + * If the string is non-empty (and in the forceFields list passed in the + * constructor), the user will have the option of setting the forcefield to + * this value. + * + * @{ + */ + QString recommendedForceField() const { return m_recommendedForceField; } + void setRecommendedForceField(const QString& rff); + /**@}*/ + +private slots: + void useRecommendedForceFieldToggled(bool state); + +private: + void updateRecommendedForceField(); + + Ui::ForceFieldDialog* ui; + QString m_recommendedForceField; +}; + +} // namespace QtPlugins +} // namespace Avogadro +#endif // AVOGADRO_QTPLUGINS_FORCEFIELDDIALOG_H diff --git a/avogadro/qtplugins/forcefield/forcefielddialog.ui b/avogadro/qtplugins/forcefield/forcefielddialog.ui new file mode 100644 index 0000000000..5f84754016 --- /dev/null +++ b/avogadro/qtplugins/forcefield/forcefielddialog.ui @@ -0,0 +1,193 @@ + + + Avogadro::QtPlugins::ForceFieldDialog + + + + 0 + 0 + 365 + 275 + + + + + 0 + 0 + + + + Geometry Optimization Parameters + + + + QLayout::SetFixedSize + + + + + Qt::Horizontal + + + QDialogButtonBox::Cancel|QDialogButtonBox::Ok + + + + + + + Convergence Criteria + + + + + + Energy convergence: + + + + + + + Step limit: + + + + + + + units + + + 10^ + + + -10 + + + 9 + + + -6 + + + + + + + steps + + + 0 + + + 100000 + + + 50 + + + 250 + + + + + + + Gradient convergence: + + + + + + + units + + + 10^ + + + -10 + + + -1 + + + -4 + + + + + + + + + + Optimization Method + + + + + + Force field: + + + + + + + + + + Autodetect + + + + + + + + + + forceField + useRecommended + energyConv + stepLimit + buttonBox + + + + + buttonBox + accepted() + Avogadro::QtPlugins::ForceFieldDialog + accept() + + + 248 + 254 + + + 157 + 274 + + + + + buttonBox + rejected() + Avogadro::QtPlugins::ForceFieldDialog + reject() + + + 316 + 260 + + + 286 + 274 + + + + + diff --git a/avogadro/qtplugins/forcefield/obmmenergy.cpp b/avogadro/qtplugins/forcefield/obmmenergy.cpp new file mode 100644 index 0000000000..e58d798243 --- /dev/null +++ b/avogadro/qtplugins/forcefield/obmmenergy.cpp @@ -0,0 +1,368 @@ +/****************************************************************************** + This source file is part of the Avogadro project. + This source code is released under the 3-Clause BSD License, (see "LICENSE"). +******************************************************************************/ + +#include "obmmenergy.h" + +#include + +#include + +#include +#include +#include +#include + +namespace Avogadro::QtPlugins { + +class OBMMEnergy::ProcessListener : public QObject +{ + Q_OBJECT +public: + ProcessListener(QProcess* proc) + : QObject(), m_finished(false), m_process(proc) + { + } + + bool waitForOutput(QByteArray output, int msTimeout = 2000) + { + connect(m_process, SIGNAL(readyRead()), SLOT(readyRead())); + if (!wait(msTimeout)) + return false; + + // success! + output = m_output; + disconnect(m_process, nullptr, nullptr, nullptr); + m_finished = false; + return true; + } + +public slots: + void readyRead() + { + m_finished = true; + m_output = m_process->readAllStandardOutput(); + } + +private: + bool wait(int msTimeout) + { + QTimer timer; + timer.start(msTimeout); + + while (timer.isActive() && !m_finished) + qApp->processEvents(QEventLoop::AllEvents, 500); + + return m_finished; + } + + QProcess* m_process; + bool m_finished; + QByteArray m_output; +}; + +OBMMEnergy::OBMMEnergy(const std::string& method) + : m_identifier(method), m_name(method), m_process(nullptr), +#if defined(_WIN32) + m_executable("obmm.exe") +#else + m_executable("obmm") +#endif +{ + // eventually CJSON might be nice + m_inputFormat = new Io::CmlFormat; + + if (method == "UFF") { + m_description = tr("Universal Force Field"); + m_elements.reset(); + for (unsigned int i = 1; i < 102; ++i) + m_elements.set(i); + } else if (method == "GAFF") { + m_description = tr("Generalized Amber Force Field"); + + // H, C, N, O, F, P, S, Cl, Br, and I + m_elements.set(1); + m_elements.set(6); + m_elements.set(7); + m_elements.set(8); + m_elements.set(9); + m_elements.set(15); + m_elements.set(16); + m_elements.set(17); + m_elements.set(35); + m_elements.set(53); + } else if (method == "MMFF94") { + m_description = tr("Merck Molecular Force Field 94"); + m_elements.reset(); + + // H, C, N, O, F, Si, P, S, Cl, Br, and I + m_elements.set(1); + m_elements.set(6); + m_elements.set(7); + m_elements.set(8); + m_elements.set(9); + m_elements.set(14); + m_elements.set(15); + m_elements.set(16); + m_elements.set(17); + m_elements.set(35); + m_elements.set(53); + } +} + +OBMMEnergy::~OBMMEnergy() +{ + delete m_inputFormat; + delete m_process; +} + +void OBMMEnergy::setupProcess() +{ + if (m_process != nullptr) { + m_process->kill(); + delete m_process; + } + + m_process = new QProcess(); + + // Read the AVO_OBMM_EXECUTABLE env var to optionally override the + // executable used. + QByteArray obmmExec = qgetenv("AVO_OBMM_EXECUTABLE"); + if (!obmmExec.isEmpty()) { + m_executable = obmmExec; + } else { + // If not overridden, look for an obmm next to the executable. + QDir baseDir(QCoreApplication::applicationDirPath()); + if (!baseDir.absolutePath().startsWith("/usr/") && + QFileInfo(baseDir.absolutePath() + '/' + m_executable).exists()) { + m_executable = baseDir.absolutePath() + '/' + m_executable; + QProcessEnvironment env = QProcessEnvironment::systemEnvironment(); +#if defined(_WIN32) + env.insert("BABEL_DATADIR", + QCoreApplication::applicationDirPath() + "/data"); +#else + QDir dir(QCoreApplication::applicationDirPath() + "/../share/openbabel"); + QStringList filters; + filters << "3.*"; + QStringList dirs = dir.entryList(filters); + if (dirs.size() == 1) { + env.insert("BABEL_DATADIR", QCoreApplication::applicationDirPath() + + "/../share/openbabel/" + dirs[0]); + } else { + qDebug() << "Error, Open Babel data directory not found."; + } + dir.setPath(QCoreApplication::applicationDirPath() + "/../lib/openbabel"); + dirs = dir.entryList(filters); + if (dirs.size() == 1) { + env.insert("BABEL_LIBDIR", QCoreApplication::applicationDirPath() + + "/../lib/openbabel/" + dirs[0]); + } else { + qDebug() << "Error, Open Babel plugins directory not found."; + } +#endif + m_process->setProcessEnvironment(env); + } + } +} + +Calc::EnergyCalculator* OBMMEnergy::newInstance() const +{ + return new OBMMEnergy(m_name); +} + +void OBMMEnergy::setMolecule(Core::Molecule* mol) +{ + m_molecule = mol; + + // should check if the molecule is valid for this script + // .. this should never happen, but let's be defensive + if (mol == nullptr) { + return; // nothing to do + } + + setupProcess(); + + // start the process + // we need a tempory file to write the molecule + // get a temporary filename + QString tempPath = QDir::tempPath(); + if (!tempPath.endsWith(QDir::separator())) + tempPath += QDir::separator(); + QString tempPattern = tempPath + "avogadroOBMMXXXXXX.cml"; + m_tempFile.setFileTemplate(tempPattern); + if (!m_tempFile.open()) { + // appendError("Error creating temporary file."); + return; + } + + // write the molecule + m_inputFormat->writeFile(m_tempFile.fileName().toStdString(), *mol); + m_tempFile.close(); + + // start the process + m_process->start(m_executable, QStringList() << m_tempFile.fileName()); + if (!m_process->waitForStarted()) { + // appendError("Error starting process."); + return; + } + ProcessListener listener(m_process); + QByteArray result; + if (!listener.waitForOutput(result)) { + // appendError("Error running process."); + return; + } + qDebug() << "OBMM start: " << result; + + // okay, we need to write "load " to the interpreter + // and then read the response + QByteArray input = "load " + m_tempFile.fileName().toLocal8Bit() + "\n"; + m_process->write(input); + if (!listener.waitForOutput(result)) { + // appendError("Error running process."); + return; + } + qDebug() << "OBMM: " << result; + + // set the method m_identifier.c_str() + + input = QByteArray("ff MMFF94\n"); + m_process->write(input); + if (!listener.waitForOutput(result)) { + // appendError("Error running process."); + return; + } + qDebug() << "OBMM ff: " << result; + + // check for an energy + input = QByteArray("energy\n"); + result.clear(); + m_process->write(input); + result.clear(); + while (!result.contains("command >")) { + result += m_process->readLine(); + } + qDebug() << "OBMM energy: " << result; +} + +Real OBMMEnergy::value(const Eigen::VectorXd& x) +{ + if (m_molecule == nullptr || m_process == nullptr) + return 0.0; // nothing to do + + m_process->waitForReadyRead(); + QByteArray result; + while (!result.contains("command >")) { + result += m_process->readLine(); + } + qDebug() << " starting " << result; + + // write the new coordinates and read the energy + QByteArray input = "coord\n"; + for (Index i = 0; i < x.size(); i += 3) { + // write as x y z (space separated) + input += QString::number(x[i]) + " " + QString::number(x[i + 1]) + " " + + QString::number(x[i + 2]) + "\n"; + } + input += "\n"; + + m_process->write(input); + m_process->waitForReadyRead(); + result.clear(); + while (!result.contains("command >")) { + result += m_process->readLine(); + } + + qDebug() << " asking energy " << result << m_process->state(); + + // now ask for the energy + input = "energy\n\n"; + result.clear(); + m_process->write(input); + m_process->waitForReadyRead(); + while (!result.contains("command >")) { + result += m_process->readLine(); + } + + qDebug() << "OBMM: " << result; + + // go through lines in result until we see "total energy" + QStringList lines = QString(result).remove('\r').split('\n'); + double energy = 0.0; + for (auto line : lines) { + if (line.contains("total energy =")) { + qDebug() << " OBMM: " << line; + QStringList items = line.split(" ", Qt::SkipEmptyParts); + if (items.size() > 4) + energy = items[3].toDouble(); + } + } + + qDebug() << " OBMM: " << energy << " done"; + + return energy; // if conversion fails, returns 0.0 +} + +void OBMMEnergy::gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) +{ + if (m_molecule == nullptr || m_process == nullptr) + return; + + EnergyCalculator::gradient(x, grad); + return; + + qDebug() << "OBMM: gradient"; + + // write the new coordinates and read the energy + QByteArray input = "coord\n"; + for (Index i = 0; i < x.size(); i += 3) { + // write as x y z (space separated) + input += QString::number(x[i]) + " " + QString::number(x[i + 1]) + " " + + QString::number(x[i + 2]) + "\n"; + } + + m_process->write(input); + qDebug() << "OBMM Grad wrote coords"; + m_process->waitForReadyRead(); + QByteArray result; + while (m_process->canReadLine()) { + result += m_process->readLine(); + } + + qDebug() << "OBMM: " << result; + + // now ask for the energy + input = "grad\n"; + m_process->write(input); + m_process->waitForReadyRead(); + while (m_process->canReadLine()) { + result += m_process->readLine(); + } + + qDebug() << "OBMM: " << result; + + // go through lines in result until we see "gradient " + QStringList lines = QString(result).remove('\r').split('\n'); + bool readingGradient = false; + unsigned int i = 0; + for (auto line : lines) { + if (line.contains("gradient")) { + readingGradient = true; + continue; + } + if (readingGradient) { + QStringList items = line.split(" ", Qt::SkipEmptyParts); + if (items.size() == 3) { + grad[3 * i] = -1.0 * items[0].toDouble(); + grad[3 * i + 1] = items[1].toDouble(); + grad[3 * i + 2] = items[2].toDouble(); + ++i; + } + } + } + + cleanGradients(grad); +} + +} // namespace Avogadro::QtPlugins + +#include "obmmenergy.moc" diff --git a/avogadro/qtplugins/forcefield/obmmenergy.h b/avogadro/qtplugins/forcefield/obmmenergy.h new file mode 100644 index 0000000000..f12e7ba1fd --- /dev/null +++ b/avogadro/qtplugins/forcefield/obmmenergy.h @@ -0,0 +1,95 @@ +/****************************************************************************** + This source file is part of the Avogadro project. + This source code is released under the 3-Clause BSD License, (see "LICENSE"). +******************************************************************************/ + +#ifndef AVOGADRO_QTPLUGINS_OBMMENERGY_H +#define AVOGADRO_QTPLUGINS_OBMMENERGY_H + +#include + +#include + +#include +#include +#include +#include + +class QJsonObject; + +namespace Avogadro { + +namespace Io { +class FileFormat; +} + +namespace QtGui { +class PythonScript; +} + +namespace QtPlugins { + +class OBMMEnergy : public Avogadro::Calc::EnergyCalculator +{ + Q_DECLARE_TR_FUNCTIONS(OBMMEnergy) + +public: + /** Formats that may be written to the script's input. */ + enum Format + { + NotUsed, + Cjson, + Cml, + Mdl, // sdf + Pdb, + Xyz + }; + + OBMMEnergy(const std::string& method = ""); + ~OBMMEnergy() override; + + std::string method() const { return m_identifier; } + void setupProcess(); + + Calc::EnergyCalculator* newInstance() const override; + + std::string identifier() const override { return m_identifier; } + std::string name() const override { return m_name; } + std::string description() const override + { + return m_description.toStdString(); + } + + Core::Molecule::ElementMask elements() const override { return (m_elements); } + + // This will check if the molecule is valid for this script + // and then start the external process + void setMolecule(Core::Molecule* mol) override; + // energy + Real value(const Eigen::VectorXd& x) override; + // gradient (which may be unsupported and fall back to numeric) + void gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) override; + + /** + * @brief Synchronous use of the QProcess. + */ + class ProcessListener; + +private: + Core::Molecule* m_molecule; + Io::FileFormat* m_inputFormat; + QProcess* m_process; + QString m_executable; + + Core::Molecule::ElementMask m_elements; + std::string m_identifier; + std::string m_name; + QString m_description; + + QTemporaryFile m_tempFile; +}; + +} // namespace QtPlugins +} // namespace Avogadro + +#endif // AVOGADRO_QTPLUGINS_OBMMENERGY_H diff --git a/avogadro/qtplugins/forcefield/scriptenergy.cpp b/avogadro/qtplugins/forcefield/scriptenergy.cpp new file mode 100644 index 0000000000..a637f680bc --- /dev/null +++ b/avogadro/qtplugins/forcefield/scriptenergy.cpp @@ -0,0 +1,420 @@ +/****************************************************************************** + This source file is part of the Avogadro project. + This source code is released under the 3-Clause BSD License, (see "LICENSE"). +******************************************************************************/ + +#include "scriptenergy.h" + +#include +#include + +// formats supported in scripts +#include +#include +#include +#include +#include + +#include +#include +#include + +#include +#include +#include +#include + +namespace Avogadro::QtPlugins { + +ScriptEnergy::ScriptEnergy(const QString& scriptFileName_) + : m_interpreter(new QtGui::PythonScript(scriptFileName_)), m_valid(true), + m_inputFormat(NotUsed), m_gradients(false), m_ions(false), + m_radicals(false), m_unitCells(false) +{ + m_elements.reset(); + readMetaData(); +} + +ScriptEnergy::~ScriptEnergy() +{ + delete m_interpreter; +} + +QString ScriptEnergy::scriptFilePath() const +{ + return m_interpreter->scriptFilePath(); +} + +Calc::EnergyCalculator* ScriptEnergy::newInstance() const +{ + return new ScriptEnergy(m_interpreter->scriptFilePath()); +} + +void ScriptEnergy::setMolecule(Core::Molecule* mol) +{ + m_molecule = mol; + + // should check if the molecule is valid for this script + // .. this should never happen, but let's be defensive + if (mol == nullptr || m_interpreter == nullptr) { + return; // nothing to do + } + + if (!m_unitCells && mol->unitCell()) { + // appendError("Unit cell not supported for this script."); + return; + } + if (!m_ions && mol->totalCharge() != 0) { + // appendError("Ionized molecules not supported for this script."); + return; + } + if (!m_radicals && mol->totalSpinMultiplicity() != 1) { + // appendError("Radical molecules not supported for this script."); + return; + } + + // start the process + // we need a tempory file to write the molecule + QScopedPointer format(createFileFormat(m_inputFormat)); + if (format.isNull()) { + // appendError("Invalid input format."); + return; + } + // get a temporary filename + QString tempPath = QDir::tempPath(); + if (!tempPath.endsWith(QDir::separator())) + tempPath += QDir::separator(); + QString tempPattern = + tempPath + "avogadroenergyXXXXXX." + format->fileExtensions()[0].c_str(); + m_tempFile.setFileTemplate(tempPattern); + if (!m_tempFile.open()) { + // appendError("Error creating temporary file."); + return; + } + + // write the molecule + format->writeFile(m_tempFile.fileName().toStdString(), *mol); + m_tempFile.close(); + + // construct the command line options + QStringList options; + options << "-f" << m_tempFile.fileName(); + + // if there was a previous process, kill it + m_interpreter->asyncTerminate(); + // start the interpreter + m_interpreter->asyncExecute(options); +} + +Real ScriptEnergy::value(const Eigen::VectorXd& x) +{ + if (m_molecule == nullptr || m_interpreter == nullptr) + return 0.0; // nothing to do + + // write the new coordinates and read the energy + QByteArray input; + for (Index i = 0; i < x.size(); i += 3) { + // write as x y z (space separated) + input += QString::number(x[i]) + " " + QString::number(x[i + 1]) + " " + + QString::number(x[i + 2]) + "\n"; + } + QByteArray result = m_interpreter->asyncWriteAndResponse(input); + + // go through lines in result until we see "AvogadroEnergy: " + QStringList lines = QString(result).remove('\r').split('\n'); + double energy = 0.0; + for (auto line : lines) { + if (line.startsWith("AvogadroEnergy:")) { + QStringList items = line.split(" "); + if (items.size() > 1) + energy = items[1].toDouble(); + } + } + + return energy; // if conversion fails, returns 0.0 +} + +void ScriptEnergy::gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) +{ + if (!m_gradients) { + EnergyCalculator::gradient(x, grad); + return; + } + + // Get the gradient from the script + // write the new coordinates and read the energy + QByteArray input; + for (Index i = 0; i < x.size(); i += 3) { + // write as x y z (space separated) + input += QString::number(x[i]) + " " + QString::number(x[i + 1]) + " " + + QString::number(x[i + 2]) + "\n"; + } + QByteArray result = m_interpreter->asyncWriteAndResponse(input); + + // parse the result + // first split on newlines + QStringList lines = QString(result).remove('\r').split('\n'); + unsigned int i = 0; + bool readingGrad = false; + for (auto line : lines) { + if (line.startsWith("AvogadroGradient:")) { + readingGrad = true; + continue; // next line + } + + if (readingGrad) { + QStringList items = line.split(" "); + if (items.size() == 3) { + grad[i] = items[0].toDouble(); + grad[i + 1] = items[1].toDouble(); + grad[i + 2] = items[2].toDouble(); + i += 3; + } + + if (i > x.size()) + break; + } + } + + cleanGradients(grad); +} + +ScriptEnergy::Format ScriptEnergy::stringToFormat(const std::string& str) +{ + if (str == "cjson") + return Cjson; + else if (str == "cml") + return Cml; + else if (str == "mdl" || str == "mol" || str == "sdf" || str == "sd") + return Mdl; + else if (str == "pdb") + return Pdb; + else if (str == "xyz") + return Xyz; + return NotUsed; +} + +Io::FileFormat* ScriptEnergy::createFileFormat(ScriptEnergy::Format fmt) +{ + switch (fmt) { + case Cjson: + return new Io::CjsonFormat; + case Cml: + return new Io::CmlFormat; + case Mdl: + return new Io::MdlFormat; + case Pdb: + return new Io::PdbFormat; + case Xyz: + return new Io::XyzFormat; + default: + case NotUsed: + return nullptr; + } +} + +void ScriptEnergy::resetMetaData() +{ + m_valid = false; + m_gradients = false; + m_ions = false; + m_radicals = false; + m_unitCells = false; + m_inputFormat = NotUsed; + m_identifier.clear(); + m_name.clear(); + m_description.clear(); + m_formatString.clear(); + m_elements.reset(); +} + +void ScriptEnergy::readMetaData() +{ + resetMetaData(); + + QByteArray output(m_interpreter->execute(QStringList() << "--metadata")); + + if (m_interpreter->hasErrors()) { + qWarning() << tr("Error retrieving metadata for energy script: %1") + .arg(scriptFilePath()) + << "\n" + << m_interpreter->errorList(); + return; + } + + QJsonParseError parseError; + QJsonDocument doc(QJsonDocument::fromJson(output, &parseError)); + if (parseError.error != QJsonParseError::NoError) { + qWarning() << tr("Error parsing metadata for energy script: %1") + .arg(scriptFilePath()) + << "\n" + << parseError.errorString(); + return; + } + + if (!doc.isObject()) { + qWarning() << tr("Error parsing metadata for energy script: %1\n" + "Result is not a JSON object.\n") + .arg(scriptFilePath()); + return; + } + + const QJsonObject metaData(doc.object()); + + // Read required inputs first. + std::string identifierTmp; + if (!parseString(metaData, "identifier", identifierTmp)) { + qWarning() << "Error parsing metadata for energy script:" + << scriptFilePath() << "\n" + << "Error parsing required member 'identifier'" + << "\n" + << output; + return; + } + m_identifier = identifierTmp; + + std::string nameTmp; + if (!parseString(metaData, "name", nameTmp)) { + qWarning() << "Error parsing metadata for energy script:" + << scriptFilePath() << "\n" + << "Error parsing required member 'name'" + << "\n" + << output; + return; + } + m_name = nameTmp; + + std::string descriptionTmp; + parseString(metaData, "description", descriptionTmp); + m_description = descriptionTmp; // optional + + Format inputFormatTmp = NotUsed; + std::string inputFormatStrTmp; + if (!parseString(metaData, "inputFormat", inputFormatStrTmp)) { + qWarning() << "Error parsing metadata for energy script:" + << scriptFilePath() << "\n" + << "Member 'inputFormat' required for writable formats." + << "\n" + << output; + return; + } + m_formatString = inputFormatStrTmp.c_str(); // for the json key + + // Validate the input format + inputFormatTmp = stringToFormat(inputFormatStrTmp); + if (inputFormatTmp == NotUsed) { + qWarning() << "Error parsing metadata for energy script:" + << scriptFilePath() << "\n" + << "Member 'inputFormat' not recognized:" + << inputFormatStrTmp.c_str() + << "\nValid values are cjson, cml, mdl/sdf, pdb, or xyz.\n" + << output; + return; + } + m_inputFormat = inputFormatTmp; + + // check ions, radicals, unit cells + /* + "unitCell": False, + "gradients": True, + "ion": False, + "radical": False, + */ + if (!metaData["gradients"].isBool()) { + return; // not valid + } + m_gradients = metaData["gradients"].toBool(); + + if (!metaData["unitCell"].isBool()) { + return; // not valid + } + m_unitCells = metaData["unitCell"].toBool(); + + if (!metaData["ion"].isBool()) { + return; // not valid + } + m_ions = metaData["ion"].toBool(); + + if (!metaData["radical"].isBool()) { + return; // not valid + } + m_radicals = metaData["radical"].toBool(); + + // get the element mask + // (if it doesn't exist, the default is no elements anyway) + m_valid = parseElements(metaData); +} + +bool ScriptEnergy::parseString(const QJsonObject& ob, const QString& key, + std::string& str) +{ + if (!ob[key].isString()) + return false; + + str = ob[key].toString().toStdString(); + + return !str.empty(); +} + +void ScriptEnergy::processElementString(const QString& str) +{ + // parse the QString + // first turn any commas into whitespace + QString str2(str); + str2.replace(',', ' '); + // then split on whitespace + QStringList strList = str2.split(QRegExp("\\s+"), QString::SkipEmptyParts); + foreach (QString sstr, strList) { + // these should be numbers or ranges (e.g., 1-84) + if (sstr.contains('-')) { + // range, so split on the dash + QStringList strList2 = sstr.split('-'); + if (strList2.size() != 2) + return; + + // get the two numbers + bool ok; + int start = strList2[0].toInt(&ok); + if (!ok || start < 1 || start > 119) + return; + int end = strList2[1].toInt(&ok); + if (!ok || end < 1 || end > 119) + return; + for (int i = start; i <= end; ++i) + m_elements.set(i); + } + + bool ok; + int i = sstr.toInt(&ok); + if (!ok || i < 1 || i > 119) + return; + + m_elements.set(i); + } +} + +bool ScriptEnergy::parseElements(const QJsonObject& object) +{ + m_elements.reset(); + + // we could either get a string or an array (of numbers) + if (object["elements"].isString()) { + auto str = object["elements"].toString(); + processElementString(str); + + } else if (object["elements"].isArray()) { + QJsonArray arr = object["elements"].toArray(); + for (auto&& i : arr) { + if (i.isString()) { + processElementString(i.toString()); + } else if (i.isDouble()) { + int element = i.toInt(); + if (element >= 1 && element <= 119) // check the range + m_elements.set(element); + } + } + } + return true; +} + +} // namespace Avogadro::QtPlugins diff --git a/avogadro/qtplugins/forcefield/scriptenergy.h b/avogadro/qtplugins/forcefield/scriptenergy.h new file mode 100644 index 0000000000..32783d2ff5 --- /dev/null +++ b/avogadro/qtplugins/forcefield/scriptenergy.h @@ -0,0 +1,107 @@ +/****************************************************************************** + This source file is part of the Avogadro project. + This source code is released under the 3-Clause BSD License, (see "LICENSE"). +******************************************************************************/ + +#ifndef AVOGADRO_QTPLUGINS_SCRIPTENERGY_H +#define AVOGADRO_QTPLUGINS_SCRIPTENERGY_H + +#include + +#include + +#include +#include +#include + +class QJsonObject; + +namespace Avogadro { + +namespace Io { +class FileFormat; +} + +namespace QtGui { +class PythonScript; +} + +namespace QtPlugins { + +class ScriptEnergy : public Avogadro::Calc::EnergyCalculator +{ + Q_DECLARE_TR_FUNCTIONS(ScriptEnergy) + +public: + /** Formats that may be written to the script's input. */ + enum Format + { + NotUsed, + Cjson, + Cml, + Mdl, // sdf + Pdb, + Xyz + }; + + ScriptEnergy(const QString& scriptFileName = ""); + ~ScriptEnergy() override; + + QString scriptFilePath() const; + + Format inputFormat() const { return m_inputFormat; } + bool isValid() const { return m_valid; } + + Calc::EnergyCalculator* newInstance() const override; + + std::string identifier() const override { return m_identifier; } + std::string name() const override { return m_name; } + std::string description() const override { return m_description; } + + Core::Molecule::ElementMask elements() const override { return m_elements; } + bool supportsGradients() const { return m_gradients; } + bool supportsIons() const { return m_ions; } + bool supportsRadicals() const { return m_radicals; } + bool supportsUnitCells() const { return m_unitCells; } + + // This will check if the molecule is valid for this script + // and then start the external process + void setMolecule(Core::Molecule* mol) override; + // energy + Real value(const Eigen::VectorXd& x) override; + // gradient (which may be unsupported and fall back to numeric) + void gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) override; + +private: + static Format stringToFormat(const std::string& str); + static Io::FileFormat* createFileFormat(Format fmt); + void resetMetaData(); + void readMetaData(); + bool parseString(const QJsonObject& ob, const QString& key, std::string& str); + void processElementString(const QString& str); + bool parseElements(const QJsonObject& ob); + +private: + QtGui::PythonScript* m_interpreter; + Format m_inputFormat; + Core::Molecule* m_molecule; + + // what's supported by this script + Core::Molecule::ElementMask m_elements; + bool m_valid; + bool m_gradients; + bool m_ions; + bool m_radicals; + bool m_unitCells; + + std::string m_identifier; + std::string m_name; + std::string m_description; + QString m_formatString; + QTemporaryFile m_tempFile; +}; + +} // namespace QtPlugins +} // namespace Avogadro + +#endif // AVOGADRO_QTPLUGINS_SCRIPTENERGY_H diff --git a/avogadro/qtplugins/forcefield/scripts/ani2x.py b/avogadro/qtplugins/forcefield/scripts/ani2x.py new file mode 100644 index 0000000000..06266cf08b --- /dev/null +++ b/avogadro/qtplugins/forcefield/scripts/ani2x.py @@ -0,0 +1,89 @@ +# This source file is part of the Avogadro project. +# This source code is released under the 3-Clause BSD License, (see "LICENSE"). + +import argparse +import json +import sys + +try: + import torch + import torchani + import numpy as np + + device = torch.device('cuda' if torch.cuda.is_available() else 'cpu') + model = torchani.models.ANI2x(periodic_table_index=True).to(device) + + imported = True +except ImportError: + imported = False + + +def getMetaData(): + # before we return metadata, make sure xtb is in the path + if not imported: + return {} # Avogadro will ignore us now + + metaData = { + "name": "ANI2x", + "identifier": "ANI2x", + "description": "Calculate ANI-2x energies and gradients", + "inputFormat": "cjson", + "elements": "1,6-9,16-17", + "unitCell": False, + "gradients": True, + "ion": False, + "radical": False, + } + return metaData + + +def run(filename): + # we get the molecule from the supplied filename + # in cjson format (it's a temporary file created by Avogadro) + with open(filename, "r") as f: + mol_cjson = json.load(f) + + # first setup the calculator + atoms = np.array(mol_cjson["atoms"]["elements"]["number"]) + species = torch.tensor([atoms], device=device) + coord_list = mol_cjson["atoms"]["coords"]["3d"] + np_coords = np.array(coord_list, dtype=float).reshape(-1, 3) + coordinates = torch.tensor([np_coords], requires_grad=True, device=device) + + # we loop forever - Avogadro will kill the process when done + num_atoms = len(atoms) + while True: + # read new coordinates from stdin + for i in range(num_atoms): + np_coords[i] = np.fromstring(input(), sep=" ") + coordinates = torch.tensor([np_coords], requires_grad=True, device=device) + + # first print the energy of these coordinates + energy = model((species, coordinates)).energies + print("AvogadroEnergy:", energy) # in Hartree + + # now print the gradient on each atom + print("AvogadroGradient:") + derivative = torch.autograd.grad(energy.sum(), coordinates)[0] + for i in range(num_atoms): + print(derivative[0][i][0].item(), derivative[0][i][1].item(), derivative[0][i][2].item()) + + +if __name__ == "__main__": + parser = argparse.ArgumentParser("ANI-2x calculator") + parser.add_argument("--display-name", action="store_true") + parser.add_argument("--metadata", action="store_true") + parser.add_argument("-f", "--file", nargs=1) + parser.add_argument("--lang", nargs="?", default="en") + args = vars(parser.parse_args()) + + if args["metadata"]: + print(json.dumps(getMetaData())) + elif args["display_name"]: + name = getMetaData().get("name") + if name: + print(name) + else: + sys.exit("ANI-2x is unavailable") + elif args["file"]: + run(args["file"][0]) diff --git a/avogadro/qtplugins/forcefield/scripts/gaff.py b/avogadro/qtplugins/forcefield/scripts/gaff.py new file mode 100644 index 0000000000..491c66d1f6 --- /dev/null +++ b/avogadro/qtplugins/forcefield/scripts/gaff.py @@ -0,0 +1,88 @@ +# This source file is part of the Avogadro project. +# This source code is released under the 3-Clause BSD License, (see "LICENSE"). + +import argparse +import json +import sys + +try: + from openbabel import pybel + import numpy as np + + imported = True +except ImportError: + imported = False + + +def getMetaData(): + # before we return metadata, make sure xtb is in the path + if not imported: + return {} # Avogadro will ignore us now + + metaData = { + "name": "GAFF", + "identifier": "GAFF", + "description": "Calculate GAFF energies and gradients", + "inputFormat": "cml", + "elements": "1,6-9,14-17,35,53", + "unitCell": False, + "gradients": True, + "ion": False, + "radical": False, + } + return metaData + + +def run(filename): + # we get the molecule from the supplied filename + # in cjson format (it's a temporary file created by Avogadro) + mol = next(pybel.readfile("cml", filename)) + + ff = pybel._forcefields["gaff"] + success = ff.Setup(mol.OBMol) + if not success: + # should never happen, but just in case + sys.exit("GAFF setup failed") + + # we loop forever - Avogadro will kill the process when done + num_atoms = len(mol.atoms) + while True: + # read new coordinates from stdin + for i in range(num_atoms): + coordinates = np.fromstring(input(), sep=" ") + atom = mol.atoms[i] + atom.OBAtom.SetVector(coordinates[0], coordinates[1], coordinates[2]) + + # update the molecule geometry for the next energy + ff.SetCoordinates(mol.OBMol) + + # first print the energy of these coordinates + energy = ff.Energy(True) # in kJ/mol + print("AvogadroEnergy:", energy) # in kJ/mol + + # now print the gradient on each atom + print("AvogadroGradient:") + for atom in mol.atoms: + grad = ff.GetGradient(atom.OBAtom) + print(-1.0*grad.GetX(), -1.0*grad.GetY(), -1.0*grad.GetZ()) + + + +if __name__ == "__main__": + parser = argparse.ArgumentParser("GAFF calculator") + parser.add_argument("--display-name", action="store_true") + parser.add_argument("--metadata", action="store_true") + parser.add_argument("-f", "--file", nargs=1) + parser.add_argument("--lang", nargs="?", default="en") + args = vars(parser.parse_args()) + + if args["metadata"]: + print(json.dumps(getMetaData())) + elif args["display_name"]: + name = getMetaData().get("name") + if name: + print(name) + else: + sys.exit("pybel is unavailable") + elif args["file"]: + run(args["file"][0]) diff --git a/avogadro/qtplugins/forcefield/scripts/gfn1.py b/avogadro/qtplugins/forcefield/scripts/gfn1.py new file mode 100644 index 0000000000..14e2e83a07 --- /dev/null +++ b/avogadro/qtplugins/forcefield/scripts/gfn1.py @@ -0,0 +1,104 @@ +# This source file is part of the Avogadro project. +# This source code is released under the 3-Clause BSD License, (see "LICENSE"). + +import argparse +import json +import sys + +try: + import numpy as np + from xtb.libxtb import VERBOSITY_MUTED + from xtb.interface import Calculator, Param + imported = True +except ImportError: + imported = False + +def getMetaData(): + # before we return metadata, make sure xtb is in the path + if not imported: + return {} # Avogadro will ignore us now + + metaData = { + "name": "GFN1", + "identifier": "GFN1", + "description": "Calculate GFN1-xtb energies and gradients", + "inputFormat": "cjson", + "elements": "1-86", + "unitCell": False, + "gradients": True, + "ion": True, + "radical": True, + } + return metaData + + +def run(filename): + # we get the molecule from the supplied filename + # in cjson format (it's a temporary file created by Avogadro) + with open(filename, "r") as f: + mol_cjson = json.load(f) + + # first setup the calculator + atoms = np.array(mol_cjson["atoms"]["elements"]["number"]) + coord_list = mol_cjson["atoms"]["coords"]["3d"] + coordinates = np.array(coord_list, dtype=float).reshape(-1, 3) + # .. we need to convert from Angstrom to Bohr + coordinates /= 0.52917721067 + + # check for total charge + # and spin multiplicity + charge = None # neutral + spin = None # singlet + if "properties" in mol_cjson: + if "totalCharge" in mol_cjson["properties"]: + charge = mol_cjson["properties"]["totalCharge"] + if "totalSpinMultiplicity" in mol_cjson["properties"]: + spin = mol_cjson["properties"]["totalSpinMultiplicity"] + + calc = Calculator(Param.GFN1xTB, atoms, coordinates, + charge=charge, uhf=spin) + calc.set_verbosity(VERBOSITY_MUTED) + res = calc.singlepoint() + + # we loop forever - Avogadro will kill the process when done + while(True): + # read new coordinates from stdin + for i in range(len(atoms)): + coordinates[i] = np.fromstring(input(), sep=" ") + # .. convert from Angstrom to Bohr + coordinates /= 0.52917721067 + + # update the calculator and run a new calculation + calc.update(coordinates) + calc.singlepoint(res) + + # first print the energy of these coordinates + print("AvogadroEnergy:", res.get_energy()) # in Hartree + + # now print the gradient + # .. we don't want the "[]" in the output + print("AvogadroGradient:") + grad = res.get_gradient() * 4961.475 # convert units + output = np.array2string(grad) + output = output.replace("[", "").replace("]", "") + print(output) + + +if __name__ == "__main__": + parser = argparse.ArgumentParser("GFN1 calculator") + parser.add_argument("--display-name", action="store_true") + parser.add_argument("--metadata", action="store_true") + parser.add_argument("-f", "--file", nargs=1) + parser.add_argument("--lang", nargs="?", default="en") + args = vars(parser.parse_args()) + + if args["metadata"]: + print(json.dumps(getMetaData())) + elif args["display_name"]: + name = getMetaData().get("name") + if name: + print(name) + else: + sys.exit("xtb-python is unavailable") + elif args["file"]: + run(args["file"][0]) diff --git a/avogadro/qtplugins/forcefield/scripts/gfn2.py b/avogadro/qtplugins/forcefield/scripts/gfn2.py new file mode 100644 index 0000000000..46cd1402c9 --- /dev/null +++ b/avogadro/qtplugins/forcefield/scripts/gfn2.py @@ -0,0 +1,104 @@ +# This source file is part of the Avogadro project. +# This source code is released under the 3-Clause BSD License, (see "LICENSE"). + +import argparse +import json +import sys + +try: + import numpy as np + from xtb.libxtb import VERBOSITY_MUTED + from xtb.interface import Calculator, Param + imported = True +except ImportError: + imported = False + +def getMetaData(): + # before we return metadata, make sure xtb is in the path + if not imported: + return {} # Avogadro will ignore us now + + metaData = { + "name": "GFN2", + "identifier": "GFN2", + "description": "Calculate GFN2-xtb energies and gradients", + "inputFormat": "cjson", + "elements": "1-86", + "unitCell": False, + "gradients": True, + "ion": True, + "radical": True, + } + return metaData + + +def run(filename): + # we get the molecule from the supplied filename + # in cjson format (it's a temporary file created by Avogadro) + with open(filename, "r") as f: + mol_cjson = json.load(f) + + # first setup the calculator + atoms = np.array(mol_cjson["atoms"]["elements"]["number"]) + coord_list = mol_cjson["atoms"]["coords"]["3d"] + coordinates = np.array(coord_list, dtype=float).reshape(-1, 3) + # .. we need to convert from Angstrom to Bohr + coordinates /= 0.52917721067 + + # check for total charge + # and spin multiplicity + charge = None # neutral + spin = None # singlet + if "properties" in mol_cjson: + if "totalCharge" in mol_cjson["properties"]: + charge = mol_cjson["properties"]["totalCharge"] + if "totalSpinMultiplicity" in mol_cjson["properties"]: + spin = mol_cjson["properties"]["totalSpinMultiplicity"] + + calc = Calculator(Param.GFN2xTB, atoms, coordinates, + charge=charge, uhf=spin) + calc.set_verbosity(VERBOSITY_MUTED) + res = calc.singlepoint() + + # we loop forever - Avogadro will kill the process when done + while(True): + # read new coordinates from stdin + for i in range(len(atoms)): + coordinates[i] = np.fromstring(input(), sep=" ") + # .. convert from Angstrom to Bohr + coordinates /= 0.52917721067 + + # update the calculator and run a new calculation + calc.update(coordinates) + calc.singlepoint(res) + + # first print the energy of these coordinates + print("AvogadroEnergy:", res.get_energy()) # in Hartree + + # now print the gradient + # .. we don't want the "[]" in the output + print("AvogadroGradient:") + grad = res.get_gradient() * 4961.475 # convert units + output = np.array2string(grad) + output = output.replace("[", "").replace("]", "") + print(output) + + +if __name__ == "__main__": + parser = argparse.ArgumentParser("GFN2 calculator") + parser.add_argument("--display-name", action="store_true") + parser.add_argument("--metadata", action="store_true") + parser.add_argument("-f", "--file", nargs=1) + parser.add_argument("--lang", nargs="?", default="en") + args = vars(parser.parse_args()) + + if args["metadata"]: + print(json.dumps(getMetaData())) + elif args["display_name"]: + name = getMetaData().get("name") + if name: + print(name) + else: + sys.exit("xtb-python is unavailable") + elif args["file"]: + run(args["file"][0]) diff --git a/avogadro/qtplugins/forcefield/scripts/gfnff.py b/avogadro/qtplugins/forcefield/scripts/gfnff.py new file mode 100644 index 0000000000..c487949193 --- /dev/null +++ b/avogadro/qtplugins/forcefield/scripts/gfnff.py @@ -0,0 +1,106 @@ +# This source file is part of the Avogadro project. +# This source code is released under the 3-Clause BSD License, (see "LICENSE"). + +import argparse +import json +import sys + +try: + import numpy as np + from xtb.libxtb import VERBOSITY_MUTED + from xtb.interface import Calculator, Param + + imported = True +except ImportError: + imported = False + + +def getMetaData(): + # before we return metadata, make sure xtb is in the path + if not imported: + return {} # Avogadro will ignore us now + + metaData = { + "name": "GFN-FF", + "identifier": "GFN-FF", + "description": "Calculate GFNFF-xtb energies and gradients", + "inputFormat": "cjson", + "elements": "1-86", + "unitCell": False, + "gradients": True, + "ion": True, + "radical": False, + } + return metaData + + +def run(filename): + # we get the molecule from the supplied filename + # in cjson format (it's a temporary file created by Avogadro) + with open(filename, "r") as f: + mol_cjson = json.load(f) + + # first setup the calculator + atoms = np.array(mol_cjson["atoms"]["elements"]["number"]) + coord_list = mol_cjson["atoms"]["coords"]["3d"] + coordinates = np.array(coord_list, dtype=float).reshape(-1, 3) + # .. we need to convert from Angstrom to Bohr + coordinates /= 0.52917721067 + + # check for total charge + # and spin multiplicity + charge = None # neutral + spin = None # singlet + if "properties" in mol_cjson: + if "totalCharge" in mol_cjson["properties"]: + charge = mol_cjson["properties"]["totalCharge"] + if "totalSpinMultiplicity" in mol_cjson["properties"]: + spin = mol_cjson["properties"]["totalSpinMultiplicity"] + + calc = Calculator(Param.GFNFF, atoms, coordinates, + charge=charge, uhf=spin) + calc.set_verbosity(VERBOSITY_MUTED) + res = calc.singlepoint() + + # we loop forever - Avogadro will kill our process when done + while True: + # read new coordinates from stdin + for i in range(len(atoms)): + coordinates[i] = np.fromstring(input(), sep=" ") + # .. convert from Angstrom to Bohr + coordinates /= 0.52917721067 + + # update the calculator and run a new calculation + calc.update(coordinates) + calc.singlepoint(res) + + # first print the energy of these coordinates + print("AvogadroEnergy:", res.get_energy()) # in Hartree + + # now print the gradient + # .. we don't want the "[]" in the output + print("AvogadroGradient:") + grad = res.get_gradient() * 496100.475 # convert units + output = np.array2string(grad) + output = output.replace("[", "").replace("]", "") + print(output) + + +if __name__ == "__main__": + parser = argparse.ArgumentParser("GFN2 calculator") + parser.add_argument("--display-name", action="store_true") + parser.add_argument("--metadata", action="store_true") + parser.add_argument("-f", "--file", nargs=1) + parser.add_argument("--lang", nargs="?", default="en") + args = vars(parser.parse_args()) + + if args["metadata"]: + print(json.dumps(getMetaData())) + elif args["display_name"]: + name = getMetaData().get("name") + if name: + print(name) + else: + sys.exit("xtb-python is unavailable") + elif args["file"]: + run(args["file"][0]) diff --git a/avogadro/qtplugins/forcefield/scripts/mmff94.py b/avogadro/qtplugins/forcefield/scripts/mmff94.py new file mode 100644 index 0000000000..3206123c40 --- /dev/null +++ b/avogadro/qtplugins/forcefield/scripts/mmff94.py @@ -0,0 +1,88 @@ +# This source file is part of the Avogadro project. +# This source code is released under the 3-Clause BSD License, (see "LICENSE"). + +import argparse +import json +import sys + +try: + from openbabel import pybel + import numpy as np + + imported = True +except ImportError: + imported = False + + +def getMetaData(): + # before we return metadata, make sure xtb is in the path + if not imported: + return {} # Avogadro will ignore us now + + metaData = { + "name": "MMFF94", + "identifier": "MMFF94", + "description": "Calculate MMFF94 energies and gradients", + "inputFormat": "cml", + "elements": "1,6-9,14-17,35,53", + "unitCell": False, + "gradients": True, + "ion": False, + "radical": False, + } + return metaData + + +def run(filename): + # we get the molecule from the supplied filename + # in cjson format (it's a temporary file created by Avogadro) + mol = next(pybel.readfile("cml", filename)) + + ff = pybel._forcefields["mmff94"] + success = ff.Setup(mol.OBMol) + if not success: + # should never happen, but just in case + sys.exit("MMFF94 force field setup failed") + + # we loop forever - Avogadro will kill the process when done + num_atoms = len(mol.atoms) + while True: + # read new coordinates from stdin + for i in range(num_atoms): + coordinates = np.fromstring(input(), sep=" ") + atom = mol.atoms[i] + atom.OBAtom.SetVector(coordinates[0], coordinates[1], coordinates[2]) + + # update the molecule geometry for the next energy + ff.SetCoordinates(mol.OBMol) + + # first print the energy of these coordinates + energy = ff.Energy(True) # in kJ/mol + print("AvogadroEnergy:", energy) # in kJ/mol + + # now print the gradient on each atom + print("AvogadroGradient:") + for atom in mol.atoms: + grad = ff.GetGradient(atom.OBAtom) + print(-1.0*grad.GetX(), -1.0*grad.GetY(), -1.0*grad.GetZ()) + + + +if __name__ == "__main__": + parser = argparse.ArgumentParser("MMFF94 calculator") + parser.add_argument("--display-name", action="store_true") + parser.add_argument("--metadata", action="store_true") + parser.add_argument("-f", "--file", nargs=1) + parser.add_argument("--lang", nargs="?", default="en") + args = vars(parser.parse_args()) + + if args["metadata"]: + print(json.dumps(getMetaData())) + elif args["display_name"]: + name = getMetaData().get("name") + if name: + print(name) + else: + sys.exit("pybel is unavailable") + elif args["file"]: + run(args["file"][0]) diff --git a/avogadro/qtplugins/forcefield/scripts/uff.py b/avogadro/qtplugins/forcefield/scripts/uff.py new file mode 100644 index 0000000000..6c5c926be5 --- /dev/null +++ b/avogadro/qtplugins/forcefield/scripts/uff.py @@ -0,0 +1,87 @@ +# This source file is part of the Avogadro project. +# This source code is released under the 3-Clause BSD License, (see "LICENSE"). + +import argparse +import json +import sys + +try: + from openbabel import pybel + import numpy as np + + imported = True +except ImportError: + imported = False + + +def getMetaData(): + # before we return metadata, make sure xtb is in the path + if not imported: + return {} # Avogadro will ignore us now + + metaData = { + "name": "UFF", + "identifier": "UFF", + "description": "Calculate UFF energies and gradients", + "inputFormat": "cml", + "elements": "1-86", + "unitCell": False, + "gradients": True, + "ion": False, + "radical": False, + } + return metaData + + +def run(filename): + # we get the molecule from the supplied filename + # in cjson format (it's a temporary file created by Avogadro) + mol = next(pybel.readfile("cml", filename)) + + ff = pybel._forcefields["uff"] + success = ff.Setup(mol.OBMol) + if not success: + # should never happen, but just in case + sys.exit("UFF force field setup failed") + + # we loop forever - Avogadro will kill the process when done + num_atoms = len(mol.atoms) + while True: + # read new coordinates from stdin + for i in range(num_atoms): + coordinates = np.fromstring(input(), sep=" ") + atom = mol.atoms[i] + atom.OBAtom.SetVector(coordinates[0], coordinates[1], coordinates[2]) + + # update the molecule geometry for the next energy + ff.SetCoordinates(mol.OBMol) + + # first print the energy of these coordinates + energy = ff.Energy(True) # in kJ/mol + print("AvogadroEnergy:", energy) # in kJ/mol + + # now print the gradient on each atom + print("AvogadroGradient:") + for atom in mol.atoms: + grad = ff.GetGradient(atom.OBAtom) + print(-1.0*grad.GetX(), -1.0*grad.GetY(), -1.0*grad.GetZ()) + + +if __name__ == "__main__": + parser = argparse.ArgumentParser("UFF calculator") + parser.add_argument("--display-name", action="store_true") + parser.add_argument("--metadata", action="store_true") + parser.add_argument("-f", "--file", nargs=1) + parser.add_argument("--lang", nargs="?", default="en") + args = vars(parser.parse_args()) + + if args["metadata"]: + print(json.dumps(getMetaData())) + elif args["display_name"]: + name = getMetaData().get("name") + if name: + print(name) + else: + sys.exit("pybel is unavailable") + elif args["file"]: + run(args["file"][0]) diff --git a/avogadro/qtplugins/scriptcharges/scriptchargemodel.cpp b/avogadro/qtplugins/scriptcharges/scriptchargemodel.cpp index 2c789616d0..5fa58a1a6c 100644 --- a/avogadro/qtplugins/scriptcharges/scriptchargemodel.cpp +++ b/avogadro/qtplugins/scriptcharges/scriptchargemodel.cpp @@ -277,7 +277,7 @@ void ScriptChargeModel::readMetaData() if (!parseString(metaData, "identifier", identifierTmp)) { qWarning() << "Error parsing metadata for charge script:" << scriptFilePath() << "\n" - << "Error parsing required member 'operations'" + << "Error parsing required member 'identifier'" << "\n" << output; return; diff --git a/thirdparty/CMakeLists.txt b/thirdparty/CMakeLists.txt index 14b5bf495d..1513781763 100644 --- a/thirdparty/CMakeLists.txt +++ b/thirdparty/CMakeLists.txt @@ -14,7 +14,7 @@ if(USE_EXTERNAL_NLOHMANN) else() add_library(nlohmann_json INTERFACE IMPORTED GLOBAL) target_include_directories(nlohmann_json - INTERFACE $) + INTERFACE $) add_library(nlohmann_json::nlohmann_json ALIAS nlohmann_json) endif(USE_EXTERNAL_NLOHMANN) @@ -42,6 +42,12 @@ else() unset(_STRUCT_ROOT) endif(USE_EXTERNAL_STRUCT) +if(NOT TARGET cppoptlib) + add_library(cppoptlib INTERFACE IMPORTED GLOBAL) + target_include_directories(cppoptlib INTERFACE + $) +endif(NOT TARGET cppoptlib) + if(NOT TARGET tinycolormap) add_library(tinycolormap INTERFACE IMPORTED GLOBAL) target_include_directories(tinycolormap INTERFACE diff --git a/thirdparty/cppoptlib/BUILD b/thirdparty/cppoptlib/BUILD new file mode 100644 index 0000000000..f44960a115 --- /dev/null +++ b/thirdparty/cppoptlib/BUILD @@ -0,0 +1,9 @@ +cc_library( + name = "cppoptlib", + hdrs = glob([ + "*.h", + "solver/*.h", + "linesearch/*.h", + ]), + visibility = ["//visibility:public"], +) diff --git a/thirdparty/cppoptlib/LICENSE b/thirdparty/cppoptlib/LICENSE new file mode 100644 index 0000000000..5955b8ffaa --- /dev/null +++ b/thirdparty/cppoptlib/LICENSE @@ -0,0 +1,22 @@ +The MIT License (MIT) + +Copyright (c) 2014-2015 Patrick Wieschollek +Copyright (c) 2015- the respective contributors + +Permission is hereby granted, free of charge, to any person obtaining a copy +of this software and associated documentation files (the "Software"), to deal +in the Software without restriction, including without limitation the rights +to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +copies of the Software, and to permit persons to whom the Software is +furnished to do so, subject to the following conditions: + +The above copyright notice and this permission notice shall be included in all +copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, +OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE +SOFTWARE. \ No newline at end of file diff --git a/thirdparty/cppoptlib/README.md b/thirdparty/cppoptlib/README.md new file mode 100644 index 0000000000..862dc9ee83 --- /dev/null +++ b/thirdparty/cppoptlib/README.md @@ -0,0 +1,236 @@ +CppOptimizationLibrary (Support for TensorFlow) +================================================================= + +[![Build Status](http://ci.patwie.com/api/badges/PatWie/CppNumericalSolvers/status.svg)](http://ci.patwie.com/PatWie/CppNumericalSolvers) + +A *header-only* library with bindings to **C++**, **[TensorFlow](https://www.tensorflow.org/)** and **Matlab**. + +Have you ever looked for a C++ function *fminsearch*, which is easy to use without adding tons of dependencies and without editing many setting-structs and without dependencies? Solve even your large-scale problems by using **TensorFlow+Python** to accelerate the minimization. See the TensorFlow-Example. + +All solvers are written scratch using Eigen, which means they are very easy to use. Want a full example? + +```cpp + class Rosenbrock : public Problem { + public: + double value(const Vector &x) { + const double t1 = (1 - x[0]); + const double t2 = (x[1] - x[0] * x[0]); + return t1 * t1 + 100 * t2 * t2; + } + }; + int main(int argc, char const *argv[]) { + Rosenbrock f; + Vector x(2); x << -1, 2; + BfgsSolver solver; + solver.minimize(f, x); + std::cout << "argmin " << x.transpose() << std::endl; + std::cout << "f in argmin " << f(x) << std::endl; + return 0; + } +``` +To use another solver, simply replace `BfgsSolver` by another name. +Supported solvers are: + +- gradient descent solver (GradientDescentSolver) +- conjugate gradient descent solver (ConjugatedGradientDescentSolver) +- Newton descent solver (NewtonDescentSolver) +- BFGS solver (BfgsSolver) +- L-BFGS solver (LbfgsSolver) +- L-BFGS-B solver (LbfgsbSolver) +- CMAes solver (CMAesSolver) +- Nelder-Mead solver (NelderMeadSolver) + +These solvers are tested on the Rosenbrock function from multiple difficult starting points by unit tests using the Google Testing Framework. And yes, you can use them directly in MATLAB. +Additional benchmark functions are *Beale, GoldsteinPrice, Booth, Matyas, Levi*. Note, not all solvers are equivalently good at all problems. + +For checking your gradient this library uses high-order central difference. Study the examples for more information about including box-constraints and gradient-information. + + +Extensive Introduction +----------- + +There are currently two ways to use this library: directly in your C++ code or in MATLAB by calling the provided mex-File. + +## TensorFlow + +You can use the expressive power of TensorFlow to accelerate the problem evaluation and compute reliable the gradients. You just write the problem in Python: + +```python +# y = x'Ax + b'x + c +y = tf.matmul(x, tf.matmul(A, x, transpose_b=True)) + tf.matmul(x, b, transpose_b=True) + c +dx = tf.gradients(y, x)[0] + +y = tf.identity(y, name='problem_objective') +dx = tf.identity(dx, name='problem_gradient') +``` + +and let TensorFlow figure out how to evaluate this expression and the gradients. + +## C++ + +There are several examples within the `src/examples` directory. These are built into `build/bin/examples` during `make all`. +Checkout `rosenbrock.cpp`. Your objective and gradient computations should be stored into a tiny class. The most simple usage is + +```cpp +class YourProblem : public Problem { + double value(const Vector &x) {} +} +``` + +In contrast to previous versions of this library, I switched to classes instead of lambda function. If you poke the examples, you will notice that this is much easier to write and understand. The only method a problem has to provide is the `value` member, which returns the value of the objective function. +For most solvers it should be useful to implement the gradient computation, too. Otherwise the library internally will use finite difference for gradient computations (which is definitely unstable and slow!). + +```cpp +class YourProblem : public Problem { + double value(const Vector &x) {} + void gradient(const Vector &x, Vector &grad) {} +} +``` + +Notice, the gradient is passed by reference! +After defining the problem it can be initialized in your code by: + +```cpp +// init problem +YourProblem f; +// test your gradient ONCE +bool probably_correct = f.checkGradient(x); +``` + +By convention, a solver minimizes a given objective function starting in `x` + +```cpp +// choose a solver +BfgsSolver solver; +// and minimize the function +solver.minimize(f, x); +double minValue = f(x); +``` + +For convenience there are some typedefs: + +```cpp +cppoptlib::Vector is a column vector Eigen::Matrix; +cppoptlib::Matrix is a matrix Eigen::Matrix; +``` +### full example + +```cpp +#include +#include "../../include/cppoptlib/meta.h" +#include "../../include/cppoptlib/problem.h" +#include "../../include/cppoptlib/solver/bfgssolver.h" + +using namespace cppoptlib; +using Eigen::VectorXd; + +class Rosenbrock : public Problem { + public: + using typename cppoptlib::Problem::Scalar; + using typename cppoptlib::Problem::TVector; + + double value(const TVector &x) { + const double t1 = (1 - x[0]); + const double t2 = (x[1] - x[0] * x[0]); + return t1 * t1 + 100 * t2 * t2; + } + void gradient(const TVector &x, TVector &grad) { + grad[0] = -2 * (1 - x[0]) + 200 * (x[1] - x[0] * x[0]) * (-2 * x[0]); + grad[1] = 200 * (x[1] - x[0] * x[0]); + } +}; + +int main(int argc, char const *argv[]) { + Rosenbrock f; + BfgsSolver solver; + VectorXd x(2); x << -1, 2; + solver.minimize(f, x); + std::cout << "argmin " << x.transpose() << std::endl; + std::cout << "f in argmin " << f(x) << std::endl; + return 0; +} +``` +### using box-constraints + +The `L-BFGS-B` algorithm allows to optimize functions with box-constraints, i.e., `min_x f(x) s.t. a <= x <= b` for some `a, b`. Given a `BoundedProblem`-class you can enter these constraints by + +```cpp +// init problem +YourBoundedProblem f; +f.setLowerBound(Vector::Zero(DIM)); +f.setUpperBound(Vector::Ones(DIM)*5); +// init solver +cppoptlib::LbfgsbSolver solver; +solver.minimize(f, x); +``` + +If you do not specify a bound, the algorithm will assume the unbounded case, eg. + +```cpp +// init problem +YourBoundedProblem f; +f.setLowerBound(Vector::Zero(DIM)); +// init solver +cppoptlib::LbfgsbSolver solver; +solver.minimize(f, x); +``` + +will optimize in x s.t. `0 <= x`. +See [src/examples/nonnegls.cpp](src/examples/nonnegls.cpp) for an example using L-BFGS-B to solve a bounded problem. + +## within MATLAB + +Simply create a function file for the objective and replace `fminsearch` or `fminunc` with `cppoptlib`. If you want to use symbolic gradient or hessian information see file `example.m` for details. A basic example would be: + +```matlab +x0 = [-1,2]'; +[fx,x] = cppoptlib(x0, @rosenbrock,'gradient',@rosenbrock_grad,'solver','bfgs'); +fx = cppoptlib(x0, @rosenbrock); +fx = fminsearch(x0, @rosenbrock); +``` +Even optimizing without any gradient information this library outperforms optimization routines from MATLAB on some problems. + +Install +----------- + +Note, this library is header-only, so you just need to add `include/cppoptlib` to your project without compiling anything and without adding further dependencies. We ship some examples for demonstration purposes and use [bazel](https://bazel.build/) to compile these examples and unittests. The latest commit using CMake is da314c6581d076e0dbadacdd263aefe4d06a2397. + +When using the MATLAB-binding, you need to compile the mex-file. Hereby, open Matlab and run `make.m` inside the MATLAB folder once. For TensorFlow-Support you need to build TensorFlow-Library from source + +```console +user@host $ bazel build -c opt --copt=-mfpmath=both --copt=-msse4.2 --config=cuda //tensorflow:libtensorflow.so +user@host $ bazel build -c opt --copt=-mfpmath=both --copt=-msse4.2 --config=cuda //tensorflow:libtensorflow_cc.so +``` +# Benchmarks + +Currently, not all solvers are equally good at all objective functions. The file `src/test/benchmark.cpp` contains some challenging objective functions which are tested by each provided solver. Note, MATLAB will also fail at some objective functions. + +# Contribute + +Make sure that `python lint.py` does not display any errors and check if travis is happy. It would be great, if some of the Forks-Owner are willing to make pull-request. + +[eigen3]: http://eigen.tuxfamily.org/ +[bazel]: https://bazel.build/ +[matlab]: http://www.mathworks.de/products/matlab/ +[tensorflow]: https://www.tensorflow.org/ + +# References + +**L-BFGS-B**: A LIMITED MEMORY ALGORITHM FOR BOUND CONSTRAINED OPTIMIZATION +*Richard H. Byrd, Peihuang Lu, Jorge Nocedal and Ciyou Zhu* + +**L-BFGS**: Numerical Optimization, 2nd ed. New York: Springer +*J. Nocedal and S. J. Wright* + +# Citing this implementation + +I see some interests in citing this implementation. Please use the following bibtex entry, if you consider to cite this implementation: + +```bibtex +@misc{wieschollek2016cppoptimizationlibrary, + title={CppOptimizationLibrary}, + author={Wieschollek, Patrick}, + year={2016}, + howpublished={\url{https://github.com/PatWie/CppNumericalSolvers}}, +} +``` diff --git a/thirdparty/cppoptlib/boundedproblem.h b/thirdparty/cppoptlib/boundedproblem.h new file mode 100644 index 0000000000..7f41099ee3 --- /dev/null +++ b/thirdparty/cppoptlib/boundedproblem.h @@ -0,0 +1,63 @@ +/* + * This file is part of CppNumericalSolvers + * + * Copyright (C) Tobias Wood @spinicist 2016 + * + * This Source Code form is subject to the terms of the MIT license. + * Please see the LICENSE file. + * + */ + +#ifndef BOUNDEDPROBLEM_H +#define BOUNDEDPROBLEM_H + +#include +#include + +#include "problem.h" + +namespace cppoptlib { + +template +class BoundedProblem : public Problem { +public: + using Superclass = Problem; + using typename Superclass::Scalar; + using typename Superclass::TVector; + +protected: + TVector m_lowerBound; + TVector m_upperBound; + +public: + BoundedProblem(int RunDim = CompileDim_) : Superclass() { + TVector infBound(RunDim); + infBound.setConstant(std::numeric_limits::infinity()); + m_lowerBound = -infBound; + m_upperBound = infBound; + } + + BoundedProblem(const TVector &l, const TVector &u) : + Superclass(), + m_lowerBound(l), + m_upperBound(u) + {} + + const TVector &lowerBound() const { return m_lowerBound; } + void setLowerBound(const TVector &lb) { m_lowerBound = lb; } + const TVector &upperBound() const { return m_upperBound; } + void setUpperBound(const TVector &ub) { m_upperBound = ub; } + + void setBoxConstraint(TVector lb, TVector ub) { + setLowerBound(lb); + setUpperBound(ub); + } + + bool isValid(const TVector &x){ + return ((x - m_lowerBound).array() >= 0.0).all() && ((x - m_upperBound).array() <= 0.0).all(); + } +}; + +} // end namespace cppoptlib + +#endif // BOUNDEDPROBLEM_H diff --git a/thirdparty/cppoptlib/linesearch/armijo.h b/thirdparty/cppoptlib/linesearch/armijo.h new file mode 100644 index 0000000000..2e25cf353d --- /dev/null +++ b/thirdparty/cppoptlib/linesearch/armijo.h @@ -0,0 +1,83 @@ +// CppNumericalSolver +#ifndef ARMIJO_H_ +#define ARMIJO_H_ + +#include "../meta.h" + +namespace cppoptlib { + +template +class Armijo { +public: + using Scalar = typename ProblemType::Scalar; + using TVector = typename ProblemType::TVector; + /** + * @brief use Armijo Rule for (weak) Wolfe conditiions + * @details [long description] + * + * @param searchDir search direction for next update step + * @param objFunc handle to problem + * + * @return step-width + */ + static Scalar linesearch(const TVector &x, const TVector &searchDir, ProblemType &objFunc, const Scalar alpha_init = 1.0) { + const Scalar c = 0.2; + const Scalar rho = 0.9; + Scalar alpha = alpha_init; + Scalar f = objFunc.value(x + alpha * searchDir); + const Scalar f_in = objFunc.value(x); + TVector grad(x.rows()); + objFunc.gradient(x, grad); + const Scalar Cache = c * grad.dot(searchDir); + + while(f > f_in + alpha * Cache) { + alpha *= rho; + f = objFunc.value(x + alpha * searchDir); + } + + return alpha; + } + +}; + +template +class Armijo { + + public: + using typename ProblemType::Scalar; + using typename ProblemType::TVector; + using typename ProblemType::THessian; + /** + * @brief use Armijo Rule for (weak) Wolfe conditiions + * @details [long description] + * + * @param searchDir search direction for next update step + * @param objFunc handle to problem + * + * @return step-width + */ + static Scalar linesearch(const TVector &x, const TVector &searchDir, ProblemType &objFunc) { + const Scalar c = 0.2; + const Scalar rho = 0.9; + Scalar alpha = 1.0; + + Scalar f = objFunc.value(x + alpha * searchDir); + const Scalar f_in = objFunc.value(x); + const THessian hessian(x.rows(), x.rows()); + objFunc.hessian(x, hessian); + TVector grad(x.rows()); + objFunc.gradient(x, grad); + const Scalar Cache = c * grad.dot(searchDir) + 0.5 * c*c * searchDir.transpose() * (hessian * searchDir); + + while(f > f_in + alpha * Cache) { + alpha *= rho; + f = objFunc.value(x + alpha * searchDir); + } + return alpha; + } + +}; + +} + +#endif /* ARMIJO_H_ */ diff --git a/thirdparty/cppoptlib/linesearch/morethuente.h b/thirdparty/cppoptlib/linesearch/morethuente.h new file mode 100644 index 0000000000..7c6c6298ff --- /dev/null +++ b/thirdparty/cppoptlib/linesearch/morethuente.h @@ -0,0 +1,314 @@ +// CppNumericalSolver +#ifndef MORETHUENTE_H_ +#define MORETHUENTE_H_ + +#include "../meta.h" +#include + +namespace cppoptlib { + +template +class MoreThuente { + + public: + using Scalar = typename ProblemType::Scalar; + using TVector = typename ProblemType::TVector; + + /** + * @brief use MoreThuente Rule for (strong) Wolfe conditiions + * @details [long description] + * + * @param searchDir search direction for next update step + * @param objFunc handle to problem + * + * @return step-width + */ + + static Scalar linesearch(const TVector &x, const TVector &searchDir, ProblemType &objFunc, const Scalar alpha_init = 1.0) { + // assume step width + Scalar ak = alpha_init; + + Scalar fval = objFunc.value(x); + TVector g = x.eval(); + objFunc.gradient(x, g); + + TVector s = searchDir.eval(); + TVector xx = x.eval(); + + cvsrch(objFunc, xx, fval, g, ak, s); + + return ak; + } + + static int cvsrch(ProblemType &objFunc, TVector &x, Scalar f, TVector &g, Scalar &stp, TVector &s) { + // we rewrite this from MIN-LAPACK and some MATLAB code + int info = 0; + int infoc = 1; + const Scalar xtol = 1e-15; + const Scalar ftol = 1e-4; + const Scalar gtol = 1e-2; + const Scalar stpmin = 1e-15; + const Scalar stpmax = 1e15; + const Scalar xtrapf = 4; + const int maxfev = 20; + int nfev = 0; + + Scalar dginit = g.dot(s); + if (dginit >= 0.0) { + // no descent direction + // TODO: handle this case + return -1; + } + + bool brackt = false; + bool stage1 = true; + + Scalar finit = f; + Scalar dgtest = ftol * dginit; + Scalar width = stpmax - stpmin; + Scalar width1 = 2 * width; + TVector wa = x.eval(); + + Scalar stx = 0.0; + Scalar fx = finit; + Scalar dgx = dginit; + Scalar sty = 0.0; + Scalar fy = finit; + Scalar dgy = dginit; + + Scalar stmin; + Scalar stmax; + + while (true) { + + // make sure we stay in the interval when setting min/max-step-width + if (brackt) { + stmin = std::min(stx, sty); + stmax = std::max(stx, sty); + } else { + stmin = stx; + stmax = stp + xtrapf * (stp - stx); + } + + // Force the step to be within the bounds stpmax and stpmin. + stp = std::max(stp, stpmin); + stp = std::min(stp, stpmax); + + // Oops, let us return the last reliable values + if ( + (brackt && ((stp <= stmin) || (stp >= stmax))) + || (nfev >= maxfev - 1 ) || (infoc == 0) + || (brackt && ((stmax - stmin) <= (xtol * stmax)))) { + stp = stx; + } + + // test new point + x = wa + stp * s; + f = objFunc.value(x); + objFunc.gradient(x, g); + nfev++; + Scalar dg = g.dot(s); + Scalar ftest1 = finit + stp * dgtest; + + // all possible convergence tests + if ((brackt & ((stp <= stmin) | (stp >= stmax))) | (infoc == 0)) + info = 6; + + if ((stp == stpmax) & (f <= ftest1) & (dg <= dgtest)) + info = 5; + + if ((stp == stpmin) & ((f > ftest1) | (dg >= dgtest))) + info = 4; + + if (nfev >= maxfev) + info = 3; + + if (brackt & (stmax - stmin <= xtol * stmax)) + info = 2; + + if ((f <= ftest1) & (fabs(dg) <= gtol * (-dginit))) + info = 1; + + // terminate when convergence reached + if (info != 0) + return -1; + + if (stage1 & (f <= ftest1) & (dg >= std::min(ftol, gtol)*dginit)) + stage1 = false; + + if (stage1 & (f <= fx) & (f > ftest1)) { + Scalar fm = f - stp * dgtest; + Scalar fxm = fx - stx * dgtest; + Scalar fym = fy - sty * dgtest; + Scalar dgm = dg - dgtest; + Scalar dgxm = dgx - dgtest; + Scalar dgym = dgy - dgtest; + + cstep( stx, fxm, dgxm, sty, fym, dgym, stp, fm, dgm, brackt, stmin, stmax, infoc); + + fx = fxm + stx * dgtest; + fy = fym + sty * dgtest; + dgx = dgxm + dgtest; + dgy = dgym + dgtest; + } else { + // this is ugly and some variables should be moved to the class scope + cstep( stx, fx, dgx, sty, fy, dgy, stp, f, dg, brackt, stmin, stmax, infoc); + } + + if (brackt) { + if (fabs(sty - stx) >= 0.66 * width1) + stp = stx + 0.5 * (sty - stx); + width1 = width; + width = fabs(sty - stx); + } + } + + return 0; + } + + static int cstep(Scalar& stx, Scalar& fx, Scalar& dx, Scalar& sty, Scalar& fy, Scalar& dy, Scalar& stp, + Scalar& fp, Scalar& dp, bool& brackt, Scalar& stpmin, Scalar& stpmax, int& info) { + info = 0; + bool bound = false; + + // Check the input parameters for errors. + if ((brackt & ((stp <= std::min(stx, sty) ) | (stp >= std::max(stx, sty)))) | (dx * (stp - stx) >= 0.0) + | (stpmax < stpmin)) { + return -1; + } + + Scalar sgnd = dp * (dx / fabs(dx)); + + Scalar stpf = 0; + Scalar stpc = 0; + Scalar stpq = 0; + + if (fp > fx) { + info = 1; + bound = true; + Scalar theta = 3. * (fx - fp) / (stp - stx) + dx + dp; + Scalar s = std::max(theta, std::max(dx, dp)); + Scalar gamma = s * sqrt((theta / s) * (theta / s) - (dx / s) * (dp / s)); + if (stp < stx) + gamma = -gamma; + Scalar p = (gamma - dx) + theta; + Scalar q = ((gamma - dx) + gamma) + dp; + Scalar r = p / q; + stpc = stx + r * (stp - stx); + stpq = stx + ((dx / ((fx - fp) / (stp - stx) + dx)) / 2.) * (stp - stx); + if (fabs(stpc - stx) < fabs(stpq - stx)) + stpf = stpc; + else + stpf = stpc + (stpq - stpc) / 2; + brackt = true; + } else if (sgnd < 0.0) { + info = 2; + bound = false; + Scalar theta = 3 * (fx - fp) / (stp - stx) + dx + dp; + Scalar s = std::max(theta, std::max(dx, dp)); + Scalar gamma = s * sqrt((theta / s) * (theta / s) - (dx / s) * (dp / s)); + if (stp > stx) + gamma = -gamma; + + Scalar p = (gamma - dp) + theta; + Scalar q = ((gamma - dp) + gamma) + dx; + Scalar r = p / q; + stpc = stp + r * (stx - stp); + stpq = stp + (dp / (dp - dx)) * (stx - stp); + if (fabs(stpc - stp) > fabs(stpq - stp)) + stpf = stpc; + else + stpf = stpq; + brackt = true; + } else if (fabs(dp) < fabs(dx)) { + info = 3; + bound = 1; + Scalar theta = 3 * (fx - fp) / (stp - stx) + dx + dp; + Scalar s = std::max(theta, std::max( dx, dp)); + Scalar gamma = s * sqrt(std::max(static_cast(0.), (theta / s) * (theta / s) - (dx / s) * (dp / s))); + if (stp > stx) + gamma = -gamma; + Scalar p = (gamma - dp) + theta; + Scalar q = (gamma + (dx - dp)) + gamma; + Scalar r = p / q; + if ((r < 0.0) & (gamma != 0.0)) { + stpc = stp + r * (stx - stp); + } else if (stp > stx) { + stpc = stpmax; + } else { + stpc = stpmin; + } + stpq = stp + (dp / (dp - dx)) * (stx - stp); + if (brackt) { + if (fabs(stp - stpc) < fabs(stp - stpq)) { + stpf = stpc; + } else { + stpf = stpq; + } + } else { + if (fabs(stp - stpc) > fabs(stp - stpq)) { + stpf = stpc; + } else { + stpf = stpq; + } + + } + } else { + info = 4; + bound = false; + if (brackt) { + Scalar theta = 3 * (fp - fy) / (sty - stp) + dy + dp; + Scalar s = std::max(theta, std::max(dy, dp)); + Scalar gamma = s * sqrt((theta / s) * (theta / s) - (dy / s) * (dp / s)); + if (stp > sty) + gamma = -gamma; + + Scalar p = (gamma - dp) + theta; + Scalar q = ((gamma - dp) + gamma) + dy; + Scalar r = p / q; + stpc = stp + r * (sty - stp); + stpf = stpc; + } else if (stp > stx) + stpf = stpmax; + else { + stpf = stpmin; + } + } + + if (fp > fx) { + sty = stp; + fy = fp; + dy = dp; + } else { + if (sgnd < 0.0) { + sty = stx; + fy = fx; + dy = dx; + } + + stx = stp; + fx = fp; + dx = dp; + } + + stpf = std::min(stpmax, stpf); + stpf = std::max(stpmin, stpf); + stp = stpf; + + if (brackt & bound) { + if (sty > stx) { + stp = std::min(stx + static_cast(0.66) * (sty - stx), stp); + } else { + stp = std::max(stx + static_cast(0.66) * (sty - stx), stp); + } + } + + return 0; + + } + +}; + +} + +#endif /* MORETHUENTE_H_ */ diff --git a/thirdparty/cppoptlib/linesearch/wolfeheuristic.h b/thirdparty/cppoptlib/linesearch/wolfeheuristic.h new file mode 100644 index 0000000000..47e78be293 --- /dev/null +++ b/thirdparty/cppoptlib/linesearch/wolfeheuristic.h @@ -0,0 +1,75 @@ +// CppNumericalSolver +#ifndef WOLFERULE_H_ +#define WOLFERULE_H_ + +#include "../meta.h" + +namespace cppoptlib { + +/** + * @brief this tries to guess the correct stepwith in a bisection-style + * @details WARNING: THIS IS QUITE HACKY. TEST ARMIJO before. + * + * @tparam T scalar type + * @tparam P problem type + * @tparam Ord order of solver + */ +template +class WolfeHeuristic { + + public: + + static T linesearch(const Vector & x0, const Vector & searchDir, P &objFunc, const T alpha_init = 1) { + + Vector x = x0; + + // evaluate phi(0) + T phi0 = objFunc.value(x0); + // evaluate phi'(0) + Vector grad(x.rows()); + objFunc.gradient(x, grad); + + T phi0_dash = searchDir.dot(grad); + + T alpha = alpha_init; + bool decrease_direction = true; + + // 200 guesses + for(size_t iter = 0; iter < 200; ++iter) { + + // new guess for phi(alpha) + Vector x_candidate = x + alpha * searchDir; + const T phi = objFunc.value(x_candidate); + + // decrease condition invalid --> shrink interval + if (phi > phi0 + 0.0001 * alpha * phi0_dash) { + alpha *= 0.5; + decrease_direction = false; + } else { + + // valid decrease --> test strong wolfe condition + Vector grad2(x.rows()); + objFunc.gradient(x_candidate, grad2); + const T phi_dash = searchDir.dot(grad2); + + // curvature condition invalid ? + if ((phi_dash < 0.9 * phi0_dash) || !decrease_direction) { + // increase interval + alpha *= 4.0; + } else { + // both condition are valid --> we are happy + x = x_candidate; + grad = grad2; + phi0 = phi; + return alpha; + } + } + } + + return alpha; + } + +}; +} + +#endif /* WOLFERULE_H_ */ diff --git a/thirdparty/cppoptlib/meta.h b/thirdparty/cppoptlib/meta.h new file mode 100644 index 0000000000..1e52171f39 --- /dev/null +++ b/thirdparty/cppoptlib/meta.h @@ -0,0 +1,152 @@ +// CppNumericalSolver +#ifndef META_H +#define META_H + +#include +#include +#include + +namespace cppoptlib { + +/*template +using Vector = Eigen::Matrix; + +template +using Matrix = Eigen::Matrix; +*/ + +enum class DebugLevel { None = 0, Low, High }; +enum class Status { + NotStarted = -1, + Continue = 0, + IterationLimit, + XDeltaTolerance, + FDeltaTolerance, + GradNormTolerance, + Condition, + UserDefined +}; + +enum class SimplexOp { + Place, + Reflect, + Expand, + ContractIn, + ContractOut, + Shrink +}; + +inline std::ostream &operator<<(std::ostream &os, const SimplexOp &op) { + switch (op) { + case SimplexOp::Place: os << "place"; break; + case SimplexOp::Reflect: os << "reflect"; break; + case SimplexOp::Expand: os << "expand"; break; + case SimplexOp::ContractIn: os << "contract-in"; break; + case SimplexOp::ContractOut: os << "contract-out"; break; + case SimplexOp::Shrink: os << "shrink"; break; + } + return os; +} + +inline std::string op_to_string(SimplexOp op) { + switch (op) { + case SimplexOp::Place: + return "place"; + case SimplexOp::Expand: + return "expand"; + case SimplexOp::Reflect: + return "reflect"; + case SimplexOp::ContractIn: + return "contract-in"; + case SimplexOp::ContractOut: + return "contract-out"; + case SimplexOp::Shrink: + return "shrink"; + } + return "unknown"; +} + +template +class Criteria { +public: + size_t iterations; //!< Maximum number of iterations + T xDelta; //!< Minimum change in parameter vector + T fDelta; //!< Minimum change in cost function + T gradNorm; //!< Minimum norm of gradient vector + T condition; //!< Maximum condition number of Hessian + + Criteria() { + reset(); + } + + static Criteria defaults() { + Criteria d; + d.iterations = 10000; + d.xDelta = 0; + d.fDelta = 0; + d.gradNorm = 1e-4; + d.condition = 0; + return d; + } + + void reset() { + iterations = 0; + xDelta = 0; + fDelta = 0; + gradNorm = 0; + condition = 0; + } + + void print(std::ostream &os) const { + os << "Iterations: " << iterations << std::endl; + os << "xDelta: " << xDelta << std::endl; + os << "fDelta: " << fDelta << std::endl; + os << "GradNorm: " << gradNorm << std::endl; + os << "Condition: " << condition << std::endl; + } +}; + +template +Status checkConvergence(const Criteria &stop, const Criteria ¤t) { + + if ((stop.iterations > 0) && (current.iterations > stop.iterations)) { + return Status::IterationLimit; + } + if ((stop.xDelta > 0) && (current.xDelta < stop.xDelta)) { + return Status::XDeltaTolerance; + } + if ((stop.fDelta > 0) && (current.fDelta < stop.fDelta)) { + return Status::FDeltaTolerance; + } + if ((stop.gradNorm > 0) && (current.gradNorm < stop.gradNorm)) { + return Status::GradNormTolerance; + } + if ((stop.condition > 0) && (current.condition > stop.condition)) { + return Status::Condition; + } + return Status::Continue; +} + +inline std::ostream &operator<<(std::ostream &os, const Status &s) { + switch (s) { + case Status::NotStarted: os << "Solver not started."; break; + case Status::Continue: os << "Convergence criteria not reached."; break; + case Status::IterationLimit: os << "Iteration limit reached."; break; + case Status::XDeltaTolerance: os << "Change in parameter vector too small."; break; + case Status::FDeltaTolerance: os << "Change in cost function value too small."; break; + case Status::GradNormTolerance: os << "Gradient vector norm too small."; break; + case Status::Condition: os << "Condition of Hessian/Covariance matrix too large."; break; + case Status::UserDefined: os << "Stop condition defined in the callback."; break; + } + return os; +} + +template +std::ostream &operator<<(std::ostream &os, const Criteria &c) { + c.print(os); + return os; +} + +} // End namespace cppoptlib + +#endif /* META_H */ diff --git a/thirdparty/cppoptlib/problem.h b/thirdparty/cppoptlib/problem.h new file mode 100644 index 0000000000..e7fd4b5b5f --- /dev/null +++ b/thirdparty/cppoptlib/problem.h @@ -0,0 +1,217 @@ +#ifndef PROBLEM_H +#define PROBLEM_H + +#include +#include +#include + +#include "meta.h" + +namespace cppoptlib { + +template +class Problem { + public: + static const int Dim = Dim_; + typedef Scalar_ Scalar; + using TVector = Eigen::Matrix; + using THessian = Eigen::Matrix; + using TCriteria = Criteria; + using TIndex = typename TVector::Index; + using MatrixType = Eigen::Matrix; + + public: + Problem() {} + virtual ~Problem()= default; + +#pragma GCC diagnostic push +#pragma GCC diagnostic ignored "-Wunused-parameter" + virtual bool callback(const Criteria &state, const TVector &x) { + return true; + } + + virtual bool detailed_callback(const Criteria &state, SimplexOp op, int index, const MatrixType &x, std::vector f) { + return true; + } +#pragma GCC diagnostic pop + + /** + * @brief returns objective value in x + * @details [long description] + * + * @param x [description] + * @return [description] + */ + virtual Scalar value(const TVector &x) = 0; + /** + * @brief overload value for nice syntax + * @details [long description] + * + * @param x [description] + * @return [description] + */ + Scalar operator()(const TVector &x) { + return value(x); + } + /** + * @brief returns gradient in x as reference parameter + * @details should be overwritten by symbolic gradient + * + * @param grad [description] + */ + virtual void gradient(const TVector &x, TVector &grad) { + finiteGradient(x, grad); + } + + /** + * @brief This computes the hessian + * @details should be overwritten by symbolic hessian, if solver relies on hessian + */ + virtual void hessian(const TVector &x, THessian &hessian) { + finiteHessian(x, hessian); + } + + virtual bool checkGradient(const TVector &x, int accuracy = 3) { + // TODO: check if derived class exists: + // int(typeid(&Rosenbrock::gradient) == typeid(&Problem::gradient)) == 1 --> overwritten + const TIndex D = x.rows(); + TVector actual_grad(D); + TVector expected_grad(D); + gradient(x, actual_grad); + finiteGradient(x, expected_grad, accuracy); + for (TIndex d = 0; d < D; ++d) { + Scalar scale = std::max(static_cast(std::max(fabs(actual_grad[d]), fabs(expected_grad[d]))), Scalar(1.)); + if(fabs(actual_grad[d]-expected_grad[d])>1e-2 * scale) + return false; + } + return true; + + } + + virtual bool checkHessian(const TVector &x, int accuracy = 3) { + // TODO: check if derived class exists: + // int(typeid(&Rosenbrock::gradient) == typeid(&Problem::gradient)) == 1 --> overwritten + const TIndex D = x.rows(); + + THessian actual_hessian = THessian::Zero(D, D); + THessian expected_hessian = THessian::Zero(D, D); + hessian(x, actual_hessian); + finiteHessian(x, expected_hessian, accuracy); + for (TIndex d = 0; d < D; ++d) { + for (TIndex e = 0; e < D; ++e) { + Scalar scale = std::max(static_cast(std::max(fabs(actual_hessian(d, e)), fabs(expected_hessian(d, e)))), Scalar(1.)); + if(fabs(actual_hessian(d, e)- expected_hessian(d, e))>1e-1 * scale) + return false; + } + } + return true; + } + + void finiteGradient(const TVector &x, TVector &grad, int accuracy = 0) { + // accuracy can be 0, 1, 2, 3 + const Scalar eps = 2.2204e-6; + static const std::array, 4> coeff = + { { {1, -1}, {1, -8, 8, -1}, {-1, 9, -45, 45, -9, 1}, {3, -32, 168, -672, 672, -168, 32, -3} } }; + static const std::array, 4> coeff2 = + { { {1, -1}, {-2, -1, 1, 2}, {-3, -2, -1, 1, 2, 3}, {-4, -3, -2, -1, 1, 2, 3, 4} } }; + static const std::array dd = {2, 12, 60, 840}; + + grad.resize(x.rows()); + TVector& xx = const_cast(x); + + const int innerSteps = 2*(accuracy+1); + const Scalar ddVal = dd[accuracy]*eps; + + for (TIndex d = 0; d < x.rows(); d++) { + grad[d] = 0; + for (int s = 0; s < innerSteps; ++s) + { + Scalar tmp = xx[d]; + xx[d] += coeff2[accuracy][s]*eps; + grad[d] += coeff[accuracy][s]*value(xx); + xx[d] = tmp; + } + grad[d] /= ddVal; + } + } + + void finiteHessian(const TVector &x, THessian &hessian, int accuracy = 0) { + const Scalar eps = std::numeric_limits::epsilon()*10e7; + + hessian.resize(x.rows(), x.rows()); + TVector& xx = const_cast(x); + + if(accuracy == 0) { + for (TIndex i = 0; i < x.rows(); i++) { + for (TIndex j = 0; j < x.rows(); j++) { + Scalar tmpi = xx[i]; + Scalar tmpj = xx[j]; + + Scalar f4 = value(xx); + xx[i] += eps; + xx[j] += eps; + Scalar f1 = value(xx); + xx[j] -= eps; + Scalar f2 = value(xx); + xx[j] += eps; + xx[i] -= eps; + Scalar f3 = value(xx); + hessian(i, j) = (f1 - f2 - f3 + f4) / (eps * eps); + + xx[i] = tmpi; + xx[j] = tmpj; + } + } + } else { + /* + \displaystyle{{\frac{\partial^2{f}}{\partial{x}\partial{y}}}\approx + \frac{1}{600\,h^2} \left[\begin{matrix} + -63(f_{1,-2}+f_{2,-1}+f_{-2,1}+f_{-1,2})+\\ + 63(f_{-1,-2}+f_{-2,-1}+f_{1,2}+f_{2,1})+\\ + 44(f_{2,-2}+f_{-2,2}-f_{-2,-2}-f_{2,2})+\\ + 74(f_{-1,-1}+f_{1,1}-f_{1,-1}-f_{-1,1}) + \end{matrix}\right] } + */ + for (TIndex i = 0; i < x.rows(); i++) { + for (TIndex j = 0; j < x.rows(); j++) { + Scalar tmpi = xx[i]; + Scalar tmpj = xx[j]; + + Scalar term_1 = 0; + xx[i] = tmpi; xx[j] = tmpj; xx[i] += 1*eps; xx[j] += -2*eps; term_1 += value(xx); + xx[i] = tmpi; xx[j] = tmpj; xx[i] += 2*eps; xx[j] += -1*eps; term_1 += value(xx); + xx[i] = tmpi; xx[j] = tmpj; xx[i] += -2*eps; xx[j] += 1*eps; term_1 += value(xx); + xx[i] = tmpi; xx[j] = tmpj; xx[i] += -1*eps; xx[j] += 2*eps; term_1 += value(xx); + + Scalar term_2 = 0; + xx[i] = tmpi; xx[j] = tmpj; xx[i] += -1*eps; xx[j] += -2*eps; term_2 += value(xx); + xx[i] = tmpi; xx[j] = tmpj; xx[i] += -2*eps; xx[j] += -1*eps; term_2 += value(xx); + xx[i] = tmpi; xx[j] = tmpj; xx[i] += 1*eps; xx[j] += 2*eps; term_2 += value(xx); + xx[i] = tmpi; xx[j] = tmpj; xx[i] += 2*eps; xx[j] += 1*eps; term_2 += value(xx); + + Scalar term_3 = 0; + xx[i] = tmpi; xx[j] = tmpj; xx[i] += 2*eps; xx[j] += -2*eps; term_3 += value(xx); + xx[i] = tmpi; xx[j] = tmpj; xx[i] += -2*eps; xx[j] += 2*eps; term_3 += value(xx); + xx[i] = tmpi; xx[j] = tmpj; xx[i] += -2*eps; xx[j] += -2*eps; term_3 -= value(xx); + xx[i] = tmpi; xx[j] = tmpj; xx[i] += 2*eps; xx[j] += 2*eps; term_3 -= value(xx); + + Scalar term_4 = 0; + xx[i] = tmpi; xx[j] = tmpj; xx[i] += -1*eps; xx[j] += -1*eps; term_4 += value(xx); + xx[i] = tmpi; xx[j] = tmpj; xx[i] += 1*eps; xx[j] += 1*eps; term_4 += value(xx); + xx[i] = tmpi; xx[j] = tmpj; xx[i] += 1*eps; xx[j] += -1*eps; term_4 -= value(xx); + xx[i] = tmpi; xx[j] = tmpj; xx[i] += -1*eps; xx[j] += 1*eps; term_4 -= value(xx); + + xx[i] = tmpi; + xx[j] = tmpj; + + hessian(i, j) = (-63 * term_1+63 * term_2+44 * term_3+74 * term_4)/(600.0 * eps * eps); + } + } + } + + } + +}; +} + +#endif /* PROBLEM_H */ diff --git a/thirdparty/cppoptlib/solver/bfgssolver.h b/thirdparty/cppoptlib/solver/bfgssolver.h new file mode 100644 index 0000000000..60cb052d90 --- /dev/null +++ b/thirdparty/cppoptlib/solver/bfgssolver.h @@ -0,0 +1,67 @@ +// CppNumericalSolver +#include +#include +#include "isolver.h" +#include "../linesearch/morethuente.h" + +#ifndef BFGSSOLVER_H_ +#define BFGSSOLVER_H_ + +namespace cppoptlib { + +template +class BfgsSolver : public ISolver { + public: + using Superclass = ISolver; + using typename Superclass::Scalar; + using typename Superclass::TVector; + using typename Superclass::THessian; + + void minimize(ProblemType &objFunc, TVector & x0) { + const size_t DIM = x0.rows(); + THessian H = THessian::Identity(DIM, DIM); + TVector grad(DIM); + TVector x_old = x0; + this->m_current.reset(); + objFunc.gradient(x0, grad); + do { + TVector searchDir = -1 * H * grad; + // check "positive definite" + Scalar phi = grad.dot(searchDir); + + // positive definit ? + if ((phi > 0) || (phi != phi)) { + // no, we reset the hessian approximation + H = THessian::Identity(DIM, DIM); + searchDir = -1 * grad; + } + + const Scalar rate = MoreThuente::linesearch(x0, searchDir, objFunc) ; + x0 = x0 + rate * searchDir; + + TVector grad_old = grad; + objFunc.gradient(x0, grad); + TVector s = rate * searchDir; + TVector y = grad - grad_old; + + const Scalar rho = 1.0 / y.dot(s); + H = H - rho * (s * (y.transpose() * H) + (H * y) * s.transpose()) + rho * (rho * y.dot(H * y) + 1.0) + * (s * s.transpose()); + // std::cout << "iter: "<() < 1e-7 ) + break; + x_old = x0; + ++this->m_current.iterations; + this->m_current.gradNorm = grad.template lpNorm(); + this->m_status = checkConvergence(this->m_stop, this->m_current); + } while (objFunc.callback(this->m_current, x0) && (this->m_status == Status::Continue)); + + } + +}; + +} +/* namespace cppoptlib */ + +#endif /* BFGSSOLVER_H_ */ diff --git a/thirdparty/cppoptlib/solver/cmaesbsolver.h b/thirdparty/cppoptlib/solver/cmaesbsolver.h new file mode 100644 index 0000000000..7cf334477e --- /dev/null +++ b/thirdparty/cppoptlib/solver/cmaesbsolver.h @@ -0,0 +1,231 @@ +// CppNumericalSolver +#ifndef CMAESB_H +#define CMAESB_H + +#include +#include +#include "isolver.h" + +namespace cppoptlib { + +/** + * @brief Covariance Matrix Adaptation + */ +template +class CMAesBSolver : public ISolver { +public: + using Super = ISolver; + using typename Super::Scalar; + using typename Super::TVector; + using typename Super::THessian; + using typename Super::TCriteria; + using TMatrix = Eigen::Matrix; + using TVarVector = Eigen::Matrix; + +protected: + std::mt19937 gen; + Scalar m_stepSize; + + /* + * @brief Create a vector sampled from a normal distribution + * + */ + TVector normDist(const int n) { + TVector sample = TVector::Zero(n); + std::normal_distribution d(0, 1); + for (int i = 0; i < n; ++i) { + sample[i] = d(gen); + } + return sample; + } + + std::vector index_partial_sort(const TVarVector &x, Eigen::ArrayXd::Index N) + { + eigen_assert(x.size() >= N); + std::vector allIndices(x.size()), indices(N); + for(size_t i = 0; i < allIndices.size(); i++) { + allIndices[i] = i; + } + partial_sort(allIndices.begin(), allIndices.begin() + N, allIndices.end(), [&x](size_t i1, size_t i2) { return x[i1] < x[i2]; }); + //std::cout << "SORTED: "; + for (Eigen::ArrayXd::Index i = 0; i < N; i++) { + indices[i] = allIndices[i]; + //std::cout << indices[i] << ","; + } + //std::cout << std::endl; + return indices; + } + +public: + CMAesBSolver() : gen((std::random_device())()) { + m_stepSize = 0.5; + + // Set some sensible defaults for the stop criteria + Super::m_stop.iterations = 1e5; + Super::m_stop.gradNorm = 0; // Switch this off + Super::m_stop.condition = 1e14; + Super::m_stop.xDelta = 1e-7; + Super::m_stop.fDelta = 1e-9; + } + + /** + * @brief minimize + * @details [long description] + * + * @param objFunc [description] + */ + void minimize(TProblem &objFunc, TVector &x0) { + const int n = x0.rows(); + int la = ceil(4 + round(3 * log(n))); + const int mu = floor(la / 2); + TVarVector w = TVarVector::Zero(mu); + for (int i = 0; i < mu; ++i) { + w[i] = log(mu+1/2)-log(i+1); + } + w /= w.sum(); + const Scalar mu_eff = (w.sum()*w.sum()) / w.dot(w); + la = std::max(16, la); // Increase to 16 samples for very small populations, but AFTER calcaulting mu_eff + + const Scalar cc = (4. + mu_eff / n) / (n + 4. + 2.*mu_eff/n); + const Scalar cs = (mu_eff + 2.) / (n + mu_eff + 5.); + const Scalar c1 = 2. / (pow(n + 1.3, 2.) + mu_eff); + const Scalar cmu = std::min(1. - c1, 2.*(mu_eff - 2. + 1./mu_eff) / (pow(n+2, 2.) + mu_eff)); + const Scalar ds = 1. + cs + 2.*std::max(0., sqrt((mu_eff - 1.) / (n + 1.)) - 1.); + const Scalar chi = sqrt(n) * (1. - 1./(4.*n) + 1./(21.*n*n)); + const Scalar hsig_thr = (1.4 + 2 / (n + 1.)) * chi; + + TVector pc = TVector::Zero(n); + TVector ps = TVector::Zero(n); + THessian B = THessian::Identity(n, n); + THessian D = THessian::Identity(n, n); + THessian C = THessian::Zero(n; n); + C.diagonal() = (objFunc.upperBound() - objFunc.lowerBound()) / 2; + Eigen::SelfAdjointEigenSolver eigenSolver(C); + B = eigenSolver.eigenvectors(); + D.diagonal() = eigenSolver.eigenvalues().array().sqrt(); + Scalar sigma = m_stepSize; + + TVector xmean = x0; + TVector zmean = TVector::Zero(n); + TMatrix arz(n, la); + TMatrix arx(n, la); + TVarVector costs(la); + Scalar prevCost = objFunc.value(x0); + // Constraint handling + TVector gamma = TVector::Ones(n); + + // CMA-ES Main Loop + int eigen_last_eval = 0; + int eigen_next_eval = std::max(1, 1/(10*n*(c1+cmu))); + this->m_current.reset(); + if (Super::m_debug >= DebugLevel::Low) { + std::cout << "CMA-ES Initial Config" << std::endl; + std::cout << "n " << n << " la " << la << " mu " << mu << " mu_eff " << mu_eff << " sigma " << sigma << std::endl; + std::cout << "cs " << cs << " ds " << ds << " chi " << chi << " cc " << cc + << " c1 " << c1 << " cmu " << cmu << " hsig_thr " << hsig_thr << std::endl; + std::cout << "C" << std::endl << C << std::endl; + std::cout << "Hessian will be updated every " << eigen_next_eval << " iterations." << std::endl; + std::cout << "Iteration: " << this->m_current.iterations << " best cost " << prevCost << " sigma " << sigma + << " cond " << this->m_current.condition << " xmean " << x0.transpose() << std::endl; + } + do { + for (int k = 0; k < la; ++k) { + arz.col(k) = normDist(n); + TVector xk = xmean + sigma * B*D*arz.col(k); + arx.col(k) = xk; + Scalar penalty = 0; + const Scalar eta_sum = C.diagonal().array().log().sum()/n; + for (int d = 0; d < n; d++) { + Scalar dist = 0; + const Scalar eta = exp(0.9 * (log(C.coeffRef(d, d) - eta_sum))); + if (xk.coeffRef(d) < objFunc.lowerBound().coeffRef(d)) { + dist = xk.coeffRef(d) - objFunc.lowerBound().coeffRef(d); + xk.coeffRef(d) = objFunc.lowerBound().coeffRef(d); + } else if (xk.coeffRef(d) > objFunc.upperBound().coeffRef(d)) { + dist = objFunc.upperBound().coeffRef(d) - xk.coeffRef(d); + xk.coeffRef(d) = objFunc.upperBound().coeffRef(d); + } + penalty += (dist*dist) / eta; + } + costs[k] = objFunc(xk) + penalty/n; + } + + if (Super::m_debug >= DebugLevel::High) { + std::cout << "arz" << std::endl << arz << std::endl; + std::cout << "arx" << std::endl << arx << std::endl; + std::cout << "costs " << costs.transpose() << std::endl; + } + + std::vector indices = index_partial_sort(costs, mu); + xmean = TVector::Zero(n); + zmean = TVector::Zero(n); + for (int k = 0; k < mu; k++) { + zmean += w[k]*arz.col(indices[k]); + xmean += w[k]*arx.col(indices[k]); + } + // Update constraint weights + for (int d = 0; d < n; d++) { + if (xmean.coeffRef(d) < objFunc.lowerBound().coeffRef(d) || xmean.coeffRef(d) > objFunc.upperBound().coeffRef(d)) { + gamma.coeffRef(d) *= pow(1.1, std::max(1, mu_eff / (10*n))); + } + } + // Update evolution paths + ps = (1. - cs)*ps + sqrt(cs*(2. - cs)*mu_eff) * B*zmean; + Scalar hsig = (ps.norm()/sqrt(pow(1 - (1. - cs), (2 * (this->m_current.iterations + 1)))) < hsig_thr) ? 1.0 : 0.0; + pc = (1. - cc)*pc + hsig*sqrt(cc*(2. - cc)*mu_eff)*(B*D*zmean); + // Adapt covariance matrix + C = (1 - c1 - cmu)*C + + c1*(pc*pc.transpose() + (1 - hsig)*cc*(2 - cc)*C); + for (int k = 0; k < mu; ++k) { + TVector temp = B*D*arz.col(k); + C += cmu*w(k)*temp*temp.transpose(); + } + sigma = sigma * exp((cs/ds) * ((ps).norm()/chi - 1.)); + + ++Super::m_current.iterations; + if ((Super::m_current.iterations - eigen_last_eval) == eigen_next_eval) { + // Update B and D + eigen_last_eval = Super::m_current.iterations; + Eigen::SelfAdjointEigenSolver eigenSolver(C); + B = eigenSolver.eigenvectors(); + D.diagonal() = eigenSolver.eigenvalues().array().sqrt(); + if (Super::m_debug >= DebugLevel::High) { + std::cout << "Updated hessian." << std::endl; + std::cout << "C" << std::endl << C << std::endl; + std::cout << "B" << std::endl << B << std::endl; + std::cout << "D" << std::endl << D << std::endl; + } + } + Super::m_current.condition = D.diagonal().maxCoeff() / D.diagonal().minCoeff(); + Super::m_current.xDelta = (xmean - x0).norm(); + x0 = xmean; + Super::m_current.fDelta = fabs(costs[indices[0]] - prevCost); + prevCost = costs[indices[0]]; + if (Super::m_debug >= DebugLevel::Low) { + std::cout << "Iteration: " << this->m_current.iterations << " best cost " << costs[indices[0]] + << " sigma " << sigma << " cond " << this->m_current.condition << " xmean " << xmean.transpose() << std::endl; + } + if (fabs(costs[indices[0]] - costs[indices[mu-1]]) < 1e-6) { + sigma = sigma * exp(0.2+cs/ds); + if (Super::m_debug >= DebugLevel::Low) { + std::cout << "Flat fitness " << costs[indices[0]] << " " << costs[indices[mu-1]] << std::endl; + } + } + Super::m_status = checkConvergence(this->m_stop, this->m_current); + } while (objFunc.callback(this->m_current, x0) && (this->m_status == Status::Continue)); + // Return the best evaluated solution + x0 = xmean; + m_stepSize = sigma; + if (Super::m_debug >= DebugLevel::Low) { + std::cout << "Stop" << std::endl; + this->m_stop.print(std::cout); + std::cout << "Current" << std::endl; + this->m_current.print(std::cout); + std::cout << "Reason: " << Super::m_status << std::endl; + } + } +}; + +} /* namespace cppoptlib */ + +#endif /* CMAES_H_ */ diff --git a/thirdparty/cppoptlib/solver/cmaessolver.h b/thirdparty/cppoptlib/solver/cmaessolver.h new file mode 100644 index 0000000000..083eb48c08 --- /dev/null +++ b/thirdparty/cppoptlib/solver/cmaessolver.h @@ -0,0 +1,205 @@ +// CppNumericalSolver +#ifndef CMAES_H_ +#define CMAES_H_ + +#include +#include +#include "isolver.h" + +namespace cppoptlib { + +/** + * @brief Covariance Matrix Adaptation + */ +template +class CMAesSolver : public ISolver { +public: + using Super = ISolver; + using typename Super::Scalar; + using typename Super::TVector; + using typename Super::THessian; + using typename Super::TCriteria; + using TMatrix = Eigen::Matrix; + using TVarVector = Eigen::Matrix; + +protected: + std::mt19937 gen; + Scalar m_stepSize; + /* + * @brief Create a vector sampled from a normal distribution + * + */ + TVector normDist(const int n) { + TVector sample = TVector::Zero(n); + std::normal_distribution d(0, 1); + for (int i = 0; i < n; ++i) { + sample[i] = d(gen); + } + return sample; + } + + std::vector index_partial_sort(const TVarVector &x, Eigen::ArrayXd::Index N) + { + eigen_assert(x.size() >= N); + std::vector allIndices(x.size()), indices(N); + for(size_t i = 0; i < allIndices.size(); i++) { + allIndices[i] = i; + } + partial_sort(allIndices.begin(), allIndices.begin() + N, allIndices.end(), [&x](size_t i1, size_t i2) { return x[i1] < x[i2]; }); + //std::cout << "SORTED: "; + for (Eigen::ArrayXd::Index i = 0; i < N; i++) { + indices[i] = allIndices[i]; + //std::cout << indices[i] << ","; + } + //std::cout << std::endl; + return indices; + } + +public: + CMAesSolver() : gen((std::random_device())()) { + m_stepSize = 0.5; + // Set some sensible defaults for the stop criteria + Super::m_stop.iterations = 1e5; + Super::m_stop.gradNorm = 0; // Switch this off + Super::m_stop.condition = 1e14; + Super::m_stop.xDelta = 1e-7; + Super::m_stop.fDelta = 1e-9; + } + + void minimize(TProblem &objFunc, TVector &x0) { + TVector var0 = TVector::Ones(x0.rows()); + this->minimize(objFunc, x0, var0); + } + + /** + * @brief minimize + * @details [long description] + * + * @param objFunc [description] + */ + void minimize(TProblem &objFunc, TVector &x0, const TVector &var0) { + const int n = x0.rows(); + eigen_assert(x0.rows() == var0.rows()); + int la = ceil(4 + round(3 * log(n))); + const int mu = floor(la / 2); + TVarVector w = TVarVector::Zero(mu); + for (int i = 0; i < mu; ++i) { + w[i] = log(mu+1/2)-log(i+1); + } + w /= w.sum(); + const Scalar mu_eff = (w.sum()*w.sum()) / w.dot(w); + la = std::max(16, la); // Increase to 16 samples for very small populations, but AFTER calcaulting mu_eff + const Scalar cc = (4. + mu_eff / n) / (n + 4. + 2.*mu_eff/n); + const Scalar cs = (mu_eff + 2.) / (n + mu_eff + 5.); + const Scalar c1 = 2. / (pow(n + 1.3, 2.) + mu_eff); + const Scalar cmu = std::min(1. - c1, 2.*(mu_eff - 2. + 1./mu_eff) / (pow(n+2, 2.) + mu_eff)); + const Scalar ds = 1. + cs + 2.*std::max(0., sqrt((mu_eff - 1.) / (n + 1.)) - 1.); + const Scalar chi = sqrt(n) * (1. - 1./(4.*n) + 1./(21.*n*n)); + const Scalar hsig_thr = (1.4 + 2 / (n + 1.)) * chi; + + TVector pc = TVector::Zero(n); + TVector ps = TVector::Zero(n); + THessian B = THessian::Identity(n, n); + THessian D = THessian::Identity(n, n); + THessian C = B*D*(B*D).transpose(); + + Scalar sigma = m_stepSize; + + TVector xmean = x0; + TVector zmean = TVector::Zero(n); + TMatrix arz(n, la); + TMatrix arx(n, la); + TVarVector costs(la); + Scalar prevCost = objFunc.value(x0); + // CMA-ES Main Loop + size_t eigen_last_eval = 0; + size_t eigen_next_eval = std::max(1, 1/(10*n*(c1+cmu))); + this->m_current.reset(); + if (Super::m_debug >= DebugLevel::Low) { + std::cout << "CMA-ES Initial Config" << std::endl; + std::cout << "n " << n << " la " << la << " mu " << mu << " mu_eff " << mu_eff << " sigma " << sigma << std::endl; + std::cout << "cs " << cs << " ds " << ds << " chi " << chi << " cc " << cc << " c1 " << c1 << " cmu " << cmu + << " hsig_thr " << hsig_thr << std::endl; + std::cout << "C" << std::endl << C << std::endl; + std::cout << "Hessian will be updated every " << eigen_next_eval << " iterations." << std::endl; + std::cout << "Iteration: " << this->m_current.iterations << " best cost " << prevCost << " sigma " << sigma + << " cond " << this->m_current.condition << " xmean " << x0.transpose() << std::endl; + } + do { + for (int k = 0; k < la; ++k) { + arz.col(k) = normDist(n); + arx.col(k) = xmean + sigma * B*D*arz.col(k); + costs[k] = objFunc(arx.col(k)); + } + if (Super::m_debug >= DebugLevel::High) { + std::cout << "arz" << std::endl << arz << std::endl; + std::cout << "arx" << std::endl << arx << std::endl; + std::cout << "costs " << costs.transpose() << std::endl; + } + std::vector indices = index_partial_sort(costs, mu); + xmean = TVector::Zero(n); + zmean = TVector::Zero(n); + for (int k = 0; k < mu; k++) { + zmean += w[k]*arz.col(indices[k]); + xmean += w[k]*arx.col(indices[k]); + } + // Update evolution paths + ps = (1. - cs)*ps + sqrt(cs*(2. - cs)*mu_eff) * B*zmean; + Scalar hsig = (ps.norm()/sqrt(pow(1 - (1. - cs), (2 * (this->m_current.iterations + 1)))) < hsig_thr) ? 1.0 : 0.0; + pc = (1. - cc)*pc + hsig*sqrt(cc*(2. - cc)*mu_eff)*(B*D*zmean); + // Adapt covariance matrix + C = (1 - c1 - cmu)*C + + c1*(pc*pc.transpose() + (1 - hsig)*cc*(2 - cc)*C); + for (int k = 0; k < mu; ++k) { + TVector temp = B*D*arz.col(k); + C += cmu*w(k)*temp*temp.transpose(); + } + sigma = sigma * exp((cs/ds) * ((ps).norm()/chi - 1.)); + + ++Super::m_current.iterations; + if ((Super::m_current.iterations - eigen_last_eval) == eigen_next_eval) { + // Update B and D + eigen_last_eval = Super::m_current.iterations; + Eigen::SelfAdjointEigenSolver eigenSolver(C); + B = eigenSolver.eigenvectors(); + D.diagonal() = eigenSolver.eigenvalues().array().sqrt(); + if (Super::m_debug >= DebugLevel::High) { + std::cout << "Updated hessian." << std::endl; + std::cout << "C" << std::endl << C << std::endl; + std::cout << "B" << std::endl << B << std::endl; + std::cout << "D" << std::endl << D << std::endl; + } + } + Super::m_current.condition = D.diagonal().maxCoeff() / D.diagonal().minCoeff(); + Super::m_current.xDelta = (xmean - x0).norm(); + x0 = xmean; + Super::m_current.fDelta = fabs(costs[indices[0]] - prevCost); + prevCost = costs[indices[0]]; + if (Super::m_debug >= DebugLevel::Low) { + std::cout << "Iteration: " << this->m_current.iterations << " best cost " << costs[indices[0]] << " sigma " << sigma + << " cond " << this->m_current.condition << " xmean " << xmean.transpose() << std::endl; + } + if (fabs(costs[indices[0]] - costs[indices[mu-1]]) < 1e-6) { + sigma = sigma * exp(0.2+cs/ds); + if (Super::m_debug >= DebugLevel::Low) { + std::cout << "Flat fitness " << costs[indices[0]] << " " << costs[indices[mu-1]] << std::endl; + } + } + Super::m_status = checkConvergence(this->m_stop, this->m_current); + } while (objFunc.callback(this->m_current, x0) && (this->m_status == Status::Continue)); + // Return the best evaluated solution + x0 = xmean; + m_stepSize = sigma; + if (Super::m_debug >= DebugLevel::Low) { + std::cout << "Stop" << std::endl; + this->m_stop.print(std::cout); + std::cout << "Current" << std::endl; + this->m_current.print(std::cout); + std::cout << "Reason: " << Super::m_status << std::endl; + } + } +}; + +} /* namespace cppoptlib */ + +#endif /* CMAES_H_ */ diff --git a/thirdparty/cppoptlib/solver/conjugatedgradientdescentsolver.h b/thirdparty/cppoptlib/solver/conjugatedgradientdescentsolver.h new file mode 100644 index 0000000000..1d6a1e0dec --- /dev/null +++ b/thirdparty/cppoptlib/solver/conjugatedgradientdescentsolver.h @@ -0,0 +1,61 @@ +// CppNumericalSolver +#ifndef CONJUGATEDGRADIENTDESCENTSOLVER_H_ +#define CONJUGATEDGRADIENTDESCENTSOLVER_H_ + +#include +#include "isolver.h" +#include "../linesearch/armijo.h" + +namespace cppoptlib { + +template +class ConjugatedGradientDescentSolver : public ISolver { + + public: + using Superclass = ISolver; + using typename Superclass::Scalar; + using typename Superclass::TVector; + + /** + * @brief minimize + * @details [long description] + * + * @param objFunc [description] + */ + void minimize(ProblemType &objFunc, TVector &x0) { + TVector grad(x0.rows()); + TVector grad_old(x0.rows()); + TVector Si(x0.rows()); + TVector Si_old(x0.rows()); + + this->m_current.reset(); + do { + objFunc.gradient(x0, grad); + + if (this->m_current.iterations == 0) { + Si = -grad; + } else { + const double beta = grad.dot(grad) / (grad_old.dot(grad_old)); + Si = -grad + beta * Si_old; + } + + const double rate = Armijo::linesearch(x0, Si, objFunc) ; + + x0 = x0 + rate * Si; + + grad_old = grad; + Si_old = Si; + + this->m_current.gradNorm = grad.template lpNorm(); + // std::cout << "iter: "<m_current.iterations; + this->m_status = checkConvergence(this->m_stop, this->m_current); + } while (objFunc.callback(this->m_current, x0) && (this->m_status == Status::Continue) ); + + } + +}; + +} /* namespace cppoptlib */ + +#endif /* CONJUGATEDGRADIENTDESCENTSOLVER_H_ */ diff --git a/thirdparty/cppoptlib/solver/gradientdescentsolver.h b/thirdparty/cppoptlib/solver/gradientdescentsolver.h new file mode 100644 index 0000000000..0f3d2c4054 --- /dev/null +++ b/thirdparty/cppoptlib/solver/gradientdescentsolver.h @@ -0,0 +1,50 @@ +// CppNumericalSolver +#ifndef GRADIENTDESCENTSOLVER_H_ +#define GRADIENTDESCENTSOLVER_H_ + +#include +#include "isolver.h" +#include "../linesearch/morethuente.h" + +namespace cppoptlib { + +template +class GradientDescentSolver : public ISolver { + +public: + using Superclass = ISolver; + using typename Superclass::Scalar; + using typename Superclass::TVector; + + /** + * @brief minimize + * @details [long description] + * + * @param objFunc [description] + */ + void minimize(ProblemType &objFunc, TVector &x0) { + + TVector direction(x0.rows()); + this->m_current.reset(); + do { + ; + objFunc.gradient(x0, direction); + const Scalar rate = MoreThuente::linesearch(x0, -direction, objFunc) ; + x0 = x0 - rate * direction; + this->m_current.gradNorm = direction.template lpNorm(); + // std::cout << "iter: "<m_current.iterations; + this->m_status = checkConvergence(this->m_stop, this->m_current); + } while (objFunc.callback(this->m_current, x0) && (this->m_status == Status::Continue)); + if (this->m_debug > DebugLevel::None) { + std::cout << "Stop status was: " << this->m_status << std::endl; + std::cout << "Stop criteria were: " << std::endl << this->m_stop << std::endl; + std::cout << "Current values are: " << std::endl << this->m_current << std::endl; + } + } + +}; + +} /* namespace cppoptlib */ + +#endif /* GRADIENTDESCENTSOLVER_H_ */ diff --git a/thirdparty/cppoptlib/solver/isolver.h b/thirdparty/cppoptlib/solver/isolver.h new file mode 100644 index 0000000000..bafaa2bc5c --- /dev/null +++ b/thirdparty/cppoptlib/solver/isolver.h @@ -0,0 +1,57 @@ +// CppNumericalSolver +#ifndef ISOLVER_H_ +#define ISOLVER_H_ + +#include +#include "isolver.h" +#include "../meta.h" +#include "../problem.h" + +namespace cppoptlib { + +template +class ISolver { +public: + using Scalar = typename ProblemType::Scalar; + using TVector = typename ProblemType::TVector; + using THessian = typename ProblemType::THessian; + using TCriteria = typename ProblemType::TCriteria; +protected: + const int order_ = Ord; + TCriteria m_stop, m_current; + Status m_status = Status::NotStarted; + DebugLevel m_debug = DebugLevel::None; + +public: + virtual ~ISolver() = default; + ISolver() { + m_stop = TCriteria::defaults(); + m_current.reset(); + } + + ISolver(const TCriteria &s) { + m_stop = s; + m_current.reset(); + } + + void setStopCriteria(const TCriteria &s) { m_stop = s; } + const TCriteria &criteria() { return m_current; } + const Status &status() { return m_status; } + void setDebug(const DebugLevel &d) { m_debug = d; } + + /** + * @brief minimize an objective function given a gradient (and optinal a hessian) + * @details this is just the abstract interface + * + * @param x0 starting point + * @param funObjective objective function + * @param funGradient gradient function + * @param funcHession hessian function + */ + virtual void minimize(ProblemType &objFunc, TVector &x0) = 0; + +}; + +} /* namespace cppoptlib */ + +#endif /* ISOLVER_H_ */ diff --git a/thirdparty/cppoptlib/solver/lbfgsbsolver.h b/thirdparty/cppoptlib/solver/lbfgsbsolver.h new file mode 100644 index 0000000000..230ec61a00 --- /dev/null +++ b/thirdparty/cppoptlib/solver/lbfgsbsolver.h @@ -0,0 +1,306 @@ +// CppNumericalSolver +// based on: +// L-BFGS-B: A LIMITED MEMORY ALGORITHM FOR BOUND CONSTRAINED OPTIMIZATION +// Richard H. Byrd, Peihuang Lu, Jorge Nocedal and Ciyou Zhu +#include +#include +#include +#include "isolver.h" +#include "../boundedproblem.h" +#include "../linesearch/morethuente.h" +#ifndef LBFGSBSOLVER_H +#define LBFGSBSOLVER_H +namespace cppoptlib { +template +class LbfgsbSolver : public ISolver { + public: + using Superclass = ISolver; + using typename Superclass::Scalar; + using typename Superclass::TVector; + using MatrixType = Eigen::Matrix; + using VariableTVector = Eigen::Matrix; + protected: + // workspace matrices + MatrixType W, M; + Scalar theta; + int DIM; + int m_historySize = 5; + + /** + * @brief sort pairs (k,v) according v ascending + * @details [long description] + * + * @param v [description] + * @return [description] + */ + std::vector sort_indexes(const std::vector< std::pair > &v) { + std::vector idx(v.size()); + for (size_t i = 0; i != idx.size(); ++i) + idx[i] = v[i].first; + sort(idx.begin(), idx.end(), [&v](size_t i1, size_t i2) { + return v[i1].second < v[i2].second; + }); + return idx; + } + + void clampToBound(const TProblem &problem, TVector &x) { + for (int r = 0; r < x.rows(); ++r) + { + if(x(r) < problem.lowerBound()(r)) + x(r) = problem.lowerBound()(r); + else if (x(r) > problem.upperBound()(r)) + x(r) = problem.upperBound()(r); + } + } + + /** + * @brief Algorithm CP: Computation of the generalized Cauchy point + * @details PAGE 8 + * + * @param c [description] + */ + void getGeneralizedCauchyPoint(const TProblem &problem, const TVector &x, const TVector &g, TVector &x_cauchy, VariableTVector &c) { + const int DIM = x.rows(); + // Given x,l,u,g, and B = \theta I-WMW + // {all t_i} = { (idx,value), ... } + // TODO: use "std::set" ? + std::vector > SetOfT; + // the feasible set is implicitly given by "SetOfT - {t_i==0}" + TVector d = -g; + // n operations + for (int j = 0; j < DIM; j++) { + if (g(j) == 0) { + SetOfT.push_back(std::make_pair(j, std::numeric_limits::max())); + } else { + Scalar tmp = 0; + if (g(j) < 0) { + tmp = (x(j) - problem.upperBound()(j)) / g(j); + } else { + tmp = (x(j) - problem.lowerBound()(j)) / g(j); + } + SetOfT.push_back(std::make_pair(j, tmp)); + if (tmp == 0) d(j) = 0; + } + } + // sortedindices [1,0,2] means the minimal element is on the 1-st entry + std::vector sortedIndices = sort_indexes(SetOfT); + x_cauchy = x; + // Initialize + // p := W^Scalar*p + VariableTVector p = (W.transpose() * d); // (2mn operations) + // c := 0 + c = VariableTVector::Zero(W.cols()); + // f' := g^Scalar*d = -d^Td + Scalar f_prime = -d.dot(d); // (n operations) + // f'' := \theta*d^Scalar*d-d^Scalar*W*M*W^Scalar*d = -\theta*f' - p^Scalar*M*p + Scalar f_doubleprime = (Scalar)(-1.0 * theta) * f_prime - p.dot(M * p); // (O(m^2) operations) + f_doubleprime = std::max(std::numeric_limits::epsilon(), f_doubleprime); + Scalar f_dp_orig = f_doubleprime; + // \delta t_min := -f'/f'' + Scalar dt_min = -f_prime / f_doubleprime; + // t_old := 0 + Scalar t_old = 0; + // b := argmin {t_i , t_i >0} + int i = 0; + for (int j = 0; j < DIM; j++) { + i = j; + if (SetOfT[sortedIndices[j]].second > 0) + break; + } + int b = sortedIndices[i]; + // see below + // t := min{t_i : i in F} + Scalar t = SetOfT[b].second; + // \delta Scalar := t - 0 + Scalar dt = t ; + // examination of subsequent segments + while ((dt_min >= dt) && (i < DIM)) { + if (d(b) > 0) + x_cauchy(b) = problem.upperBound()(b); + else if (d(b) < 0) + x_cauchy(b) = problem.lowerBound()(b); + // z_b = x_p^{cp} - x_b + Scalar zb = x_cauchy(b) - x(b); + // c := c +\delta t*p + c += dt * p; + // cache + VariableTVector wbt = W.row(b); + f_prime += dt * f_doubleprime + (Scalar) g(b) * g(b) + (Scalar) theta * g(b) * zb - (Scalar) g(b) * + wbt.transpose() * (M * c); + f_doubleprime += (Scalar) - 1.0 * theta * g(b) * g(b) + - (Scalar) 2.0 * (g(b) * (wbt.dot(M * p))) + - (Scalar) g(b) * g(b) * wbt.transpose() * (M * wbt); + f_doubleprime = std::max(std::numeric_limits::epsilon() * f_dp_orig, f_doubleprime); + p += g(b) * wbt.transpose(); + d(b) = 0; + dt_min = -f_prime / f_doubleprime; + t_old = t; + ++i; + if (i < DIM) { + b = sortedIndices[i]; + t = SetOfT[b].second; + dt = t - t_old; + } + } + dt_min = std::max(dt_min, (Scalar)0.0); + t_old += dt_min; + #pragma omp parallel for + for (int ii = i; ii < x_cauchy.rows(); ii++) { + x_cauchy(sortedIndices[ii]) = x(sortedIndices[ii]) + t_old * d(sortedIndices[ii]); + } + c += dt_min * p; + } + /** + * @brief find alpha* = max {a : a <= 1 and l_i-xc_i <= a*d_i <= u_i-xc_i} + * @details [long description] + * + * @param FreeVariables [description] + * @return [description] + */ + Scalar findAlpha(const TProblem &problem, TVector &x_cp, VariableTVector &du, std::vector &FreeVariables) { + Scalar alphastar = 1; + const unsigned int n = FreeVariables.size(); + assert(du.rows() == n); + for (unsigned int i = 0; i < n; i++) { + if (du(i) > 0) { + alphastar = std::min(alphastar, (problem.upperBound()(FreeVariables[i]) - x_cp(FreeVariables[i])) / du(i)); + } else { + alphastar = std::min(alphastar, (problem.lowerBound()(FreeVariables[i]) - x_cp(FreeVariables[i])) / du(i)); + } + } + return alphastar; + } + /** + * @brief solving unbounded probelm + * @details [long description] + * + * @param SubspaceMin [description] + */ + void SubspaceMinimization(const TProblem &problem, TVector &x_cauchy, TVector &x, VariableTVector &c, TVector &g, + TVector &SubspaceMin) { + Scalar theta_inverse = 1 / theta; + std::vector FreeVariablesIndex; + for (int i = 0; i < x_cauchy.rows(); i++) { + if ((x_cauchy(i) != problem.upperBound()(i)) && (x_cauchy(i) != problem.lowerBound()(i))) { + FreeVariablesIndex.push_back(i); + } + } + const int FreeVarCount = FreeVariablesIndex.size(); + MatrixType WZ = MatrixType::Zero(W.cols(), FreeVarCount); + for (int i = 0; i < FreeVarCount; i++) + WZ.col(i) = W.row(FreeVariablesIndex[i]); + TVector rr = (g + theta * (x_cauchy - x) - W * (M * c)); + // r=r(FreeVariables); + MatrixType r = MatrixType::Zero(FreeVarCount, 1); + for (int i = 0; i < FreeVarCount; i++) + r.row(i) = rr.row(FreeVariablesIndex[i]); + // STEP 2: "v = w^T*Z*r" and STEP 3: "v = M*v" + VariableTVector v = M * (WZ * r); + // STEP 4: N = 1/theta*W^T*Z*(W^T*Z)^T + MatrixType N = theta_inverse * WZ * WZ.transpose(); + // N = I - MN + N = MatrixType::Identity(N.rows(), N.rows()) - M * N; + // STEP: 5 + // v = N^{-1}*v + if (v.size() > 0) + v = N.lu().solve(v); + // STEP: 6 + // HERE IS A MISTAKE IN THE ORIGINAL PAPER! + VariableTVector du = -theta_inverse * r - theta_inverse * theta_inverse * WZ.transpose() * v; + // STEP: 7 + Scalar alpha_star = findAlpha(problem, x_cauchy, du, FreeVariablesIndex); + // STEP: 8 + VariableTVector dStar = alpha_star * du; + SubspaceMin = x_cauchy; + for (int i = 0; i < FreeVarCount; i++) { + SubspaceMin(FreeVariablesIndex[i]) = SubspaceMin(FreeVariablesIndex[i]) + dStar(i); + } + } + public: + void setHistorySize(const int hs) { m_historySize = hs; } + + void minimize(TProblem &problem, TVector &x0) { + if(!problem.isValid(x0)) + std::cerr << "start with invalid x0" << std::endl; + DIM = x0.rows(); + theta = 1.0; + W = MatrixType::Zero(DIM, 0); + M = MatrixType::Zero(0, 0); + MatrixType yHistory = MatrixType::Zero(DIM, 0); + MatrixType sHistory = MatrixType::Zero(DIM, 0); + TVector x = x0, g = x0; + Scalar f = problem.value(x); + problem.gradient(x, g); + // conv. crit. + auto noConvergence = + [&](TVector &x, TVector &g)->bool { + return (((x - g).cwiseMax(problem.lowerBound()).cwiseMin(problem.upperBound()) - x).template lpNorm() >= 1e-4); + }; + this->m_current.reset(); + this->m_status = Status::Continue; + while (problem.callback(this->m_current, x) && noConvergence(x, g) && (this->m_status == Status::Continue)) { + Scalar f_old = f; + TVector x_old = x; + TVector g_old = g; + // STEP 2: compute the cauchy point + TVector CauchyPoint = TVector::Zero(DIM); + VariableTVector c = VariableTVector::Zero(W.cols()); + getGeneralizedCauchyPoint(problem, x, g, CauchyPoint, c); + // STEP 3: compute a search direction d_k by the primal method for the sub-problem + TVector SubspaceMin; + SubspaceMinimization(problem, CauchyPoint, x, c, g, SubspaceMin); + // STEP 4: perform linesearch and STEP 5: compute gradient + Scalar alpha_init = 1.0; + const Scalar rate = MoreThuente::linesearch(x, SubspaceMin-x , problem, alpha_init); + // update current guess and function information + x = x - rate*(x-SubspaceMin); + // if current solution is out of bound, we clip it + clampToBound(problem, x); + f = problem.value(x); + problem.gradient(x, g); + // prepare for next iteration + TVector newY = g - g_old; + TVector newS = x - x_old; + // STEP 6: + Scalar test = newS.dot(newY); + test = (test < 0) ? -1.0 * test : test; + if (test > 1e-7 * newY.squaredNorm()) { + if (yHistory.cols() < m_historySize) { + yHistory.conservativeResize(DIM, yHistory.cols() + 1); + sHistory.conservativeResize(DIM, sHistory.cols() + 1); + } else { + yHistory.leftCols(m_historySize - 1) = yHistory.rightCols(m_historySize - 1).eval(); + sHistory.leftCols(m_historySize - 1) = sHistory.rightCols(m_historySize - 1).eval(); + } + yHistory.rightCols(1) = newY; + sHistory.rightCols(1) = newS; + // STEP 7: + theta = (Scalar)(newY.transpose() * newY) / (newY.transpose() * newS); + W = MatrixType::Zero(yHistory.rows(), yHistory.cols() + sHistory.cols()); + W << yHistory, (theta * sHistory); + MatrixType A = sHistory.transpose() * yHistory; + MatrixType L = A.template triangularView(); + MatrixType MM(A.rows() + L.rows(), A.rows() + L.cols()); + MatrixType D = -1 * A.diagonal().asDiagonal(); + MM << D, L.transpose(), L, ((sHistory.transpose() * sHistory) * theta); + M = MM.inverse(); + } + if (fabs(f_old - f) < 1e-8) { + // successive function values too similar + break; + } + ++this->m_current.iterations; + this->m_current.gradNorm = g.norm(); + this->m_status = checkConvergence(this->m_stop, this->m_current); + } + x0 = x; + if (this->m_debug > DebugLevel::None) { + std::cout << "Stop status was: " << this->m_status << std::endl; + std::cout << "Stop criteria were: " << std::endl << this->m_stop << std::endl; + std::cout << "Current values are: " << std::endl << this->m_current << std::endl; + } + } +}; +} +/* namespace cppoptlib */ +#endif /* LBFGSBSOLVER_H_ */ diff --git a/thirdparty/cppoptlib/solver/lbfgssolver.h b/thirdparty/cppoptlib/solver/lbfgssolver.h new file mode 100644 index 0000000000..eb45927d27 --- /dev/null +++ b/thirdparty/cppoptlib/solver/lbfgssolver.h @@ -0,0 +1,121 @@ +// CppNumericalSolver +// based on: +// Numerical Optimization, 2nd ed. New York: Springer +// J. Nocedal and S. J. Wright +#include +#include +#include "isolver.h" +#include "../linesearch/morethuente.h" + +#ifndef LBFGSSOLVER_H_ +#define LBFGSSOLVER_H_ + +namespace cppoptlib { + +template +class LbfgsSolver : public ISolver { + public: + using Superclass = ISolver; + using typename Superclass::Scalar; + using typename Superclass::TVector; + using typename Superclass::THessian; + using MatrixType = Eigen::Matrix; + + void minimize(ProblemType &objFunc, TVector &x0) { + const size_t m = 10; + const size_t DIM = x0.rows(); + MatrixType sVector = MatrixType::Zero(DIM, m); + MatrixType yVector = MatrixType::Zero(DIM, m); + Eigen::Matrix alpha = Eigen::Matrix::Zero(m); + TVector grad(DIM), q(DIM), grad_old(DIM), s(DIM), y(DIM); + objFunc.gradient(x0, grad); + TVector x_old = x0; + + size_t iter = 0, globIter = 0; + Scalar H0k = 1; + this->m_current.reset(); + do { + const Scalar relativeEpsilon = static_cast(0.0001) * std::max(static_cast(1.0), x0.norm()); + + if (grad.norm() < relativeEpsilon) + break; + + //Algorithm 7.4 (L-BFGS two-loop recursion) + q = grad; + const int k = std::min(m, iter); + + // for i = k − 1, k − 2, . . . , k − m§ + for (int i = k - 1; i >= 0; i--) { + // alpha_i <- rho_i*s_i^T*q + const double rho = 1.0 / static_cast(sVector.col(i)) + .dot(static_cast(yVector.col(i))); + alpha(i) = rho * static_cast(sVector.col(i)).dot(q); + // q <- q - alpha_i*y_i + q = q - alpha(i) * yVector.col(i); + } + // r <- H_k^0*q + q = H0k * q; + //for i k − m, k − m + 1, . . . , k − 1 + for (int i = 0; i < k; i++) { + // beta <- rho_i * y_i^T * r + const Scalar rho = 1.0 / static_cast(sVector.col(i)) + .dot(static_cast(yVector.col(i))); + const Scalar beta = rho * static_cast(yVector.col(i)).dot(q); + // r <- r + s_i * ( alpha_i - beta) + q = q + sVector.col(i) * (alpha(i) - beta); + } + // stop with result "H_k*f_f'=q" + + // any issues with the descent direction ? + Scalar descent = -grad.dot(q); + Scalar alpha_init = 1.0 / grad.norm(); + if (descent > -0.0001 * relativeEpsilon) { + q = -1 * grad; + iter = 0; + alpha_init = 1.0; + } + + // find steplength + const Scalar rate = MoreThuente::linesearch(x0, -q, objFunc, alpha_init) ; + // update guess + x0 = x0 - rate * q; + + grad_old = grad; + objFunc.gradient(x0, grad); + + s = x0 - x_old; + y = grad - grad_old; + + // update the history + if (iter < m) { + sVector.col(iter) = s; + yVector.col(iter) = y; + } else { + + sVector.leftCols(m - 1) = sVector.rightCols(m - 1).eval(); + sVector.rightCols(1) = s; + yVector.leftCols(m - 1) = yVector.rightCols(m - 1).eval(); + yVector.rightCols(1) = y; + } + // update the scaling factor + H0k = y.dot(s) / static_cast(y.dot(y)); + + x_old = x0; + // std::cout << "iter: "<m_current.iterations; + this->m_current.gradNorm = grad.template lpNorm(); + this->m_status = checkConvergence(this->m_stop, this->m_current); + } while ((objFunc.callback(this->m_current, x0)) && (this->m_status == Status::Continue)); + + } + +}; + +} +/* namespace cppoptlib */ + +#endif /* LBFGSSOLVER_H_ */ diff --git a/thirdparty/cppoptlib/solver/neldermeadsolver.h b/thirdparty/cppoptlib/solver/neldermeadsolver.h new file mode 100644 index 0000000000..d780f87a3e --- /dev/null +++ b/thirdparty/cppoptlib/solver/neldermeadsolver.h @@ -0,0 +1,225 @@ +// CppNumericalSolver +#ifndef NELDERMEADSOLVER_H_ +#define NELDERMEADSOLVER_H_ +#include +#include +#include "isolver.h" +#include "../meta.h" + +namespace cppoptlib { + +template +class NelderMeadSolver : public ISolver { + public: + using Superclass = ISolver; + using typename Superclass::Scalar; + using typename Superclass::TVector; + using MatrixType = Eigen::Matrix; + MatrixType x0; + SimplexOp lastOp = SimplexOp::Place; + Status stop_condition; + bool initialSimplexCreated = false; + + MatrixType makeInitialSimplex(TVector &x) { + size_t DIM = x.rows(); + + MatrixType s = MatrixType::Zero(DIM, DIM + 1); + for (int c = 0; c < int(DIM) + 1; ++c) { + for (int r = 0; r < int(DIM); ++r) { + s(r, c) = x(r); + if (r == c - 1) { + if (x(r) == 0) { + s(r, c) = 0.00025; + } else { + s(r, c) = (1 + 0.05) * x(r); + } + } + } + } + + return s; + } + + /** + * @brief minimize + * @details [long description] + * + * @param objFunc [description] + */ + void minimize(ProblemType &objFunc, TVector &x) { + + const Scalar rho = 1.; // rho > 0 + const Scalar xi = 2.; // xi > max(rho, 1) + const Scalar gam = 0.5; // 0 < gam < 1 + + const size_t DIM = x.rows(); + + // create initial simplex + if (! initialSimplexCreated) { + x0 = makeInitialSimplex(x); + } + + // compute function values + std::vector f; f.resize(DIM + 1); + std::vector index; index.resize(DIM + 1); + for (int i = 0; i < int(DIM) + 1; ++i) { + f[i] = objFunc(static_cast(x0.col(i))); + index[i] = i; + } + + sort(index.begin(), index.end(), [&](int a, int b)-> bool { return f[a] < f[b]; }); + + int iter = 0; + const int maxIter = this->m_stop.iterations * DIM; + while ( + objFunc.callback(this->m_current, x0.col(index[0])) && + (iter < maxIter) + ) { + // conv-check + Scalar max1 = fabs(f[index[1]] - f[index[0]]); + Scalar max2 = (x0.col(index[1]) - x0.col(index[0]) ).array().abs().maxCoeff(); + for (int i = 2; i < int(DIM) + 1; ++i) { + Scalar tmp1 = fabs(f[index[i]] - f[index[0]]); + if (tmp1 > max1) + max1 = tmp1; + + Scalar tmp2 = (x0.col(index[i]) - x0.col(index[0]) ).array().abs().maxCoeff(); + if (tmp2 > max2) + max2 = tmp2; + } + const Scalar tt1 = std::max(Scalar(1.e-04), 10 * std::nextafter(f[index[0]], std::numeric_limits::epsilon()) - f[index[0]]); + const Scalar tt2 = std::max(Scalar(1.e-04), 10 * (std::nextafter(x0.col(index[0]).maxCoeff(), std::numeric_limits::epsilon()) + - x0.col(index[0]).maxCoeff())); + + // User-defined stopping criteria + this->m_current.iterations = iter; + this->m_current.fDelta = max1; + this->m_current.xDelta = max2; + stop_condition = checkConvergence(this->m_stop, this->m_current); + if (this->m_stop.iterations != 0 && stop_condition != Status::Continue) { + break; + } + + // Allow stopping in the callback. This callback gets the correct current + // state unlike the simple one in while(), which get previous state. + if (objFunc.detailed_callback(this->m_current, lastOp, index[0], x0, f) == false) { + stop_condition = Status::UserDefined; + break; + } + + // max(||x - shift(x) ||_inf ) <= tol, + if (max1 <= tt1) { + // values to similar + if (max2 <= tt2) { + stop_condition = Status::FDeltaTolerance; + break; + } + } + + ////////////////////////// + + // midpoint of the simplex opposite the worst point + TVector x_bar = TVector::Zero(DIM); + for (int i = 0; i < int(DIM); ++i) { + x_bar += x0.col(index[i]); + } + x_bar /= Scalar(DIM); + + // Compute the reflection point + const TVector x_r = ( 1. + rho ) * x_bar - rho * x0.col(index[DIM]); + const Scalar f_r = objFunc(x_r); + lastOp = SimplexOp::Reflect; + + if (f_r < f[index[0]]) { + // the expansion point + const TVector x_e = ( 1. + rho * xi ) * x_bar - rho * xi * x0.col(index[DIM]); + const Scalar f_e = objFunc(x_e); + if ( f_e < f_r ) { + // expand + lastOp = SimplexOp::Expand; + x0.col(index[DIM]) = x_e; + f[index[DIM]] = f_e; + } else { + // reflect + lastOp = SimplexOp::Reflect; + x0.col(index[DIM]) = x_r; + f[index[DIM]] = f_r; + } + } else { + if ( f_r < f[index[DIM - 1]] ) { + x0.col(index[DIM]) = x_r; + f[index[DIM]] = f_r; + } else { + // contraction + if (f_r < f[index[DIM]]) { + const TVector x_c = (1 + rho * gam) * x_bar - rho * gam * x0.col(index[DIM]); + const Scalar f_c = objFunc(x_c); + if ( f_c <= f_r ) { + // outside + x0.col(index[DIM]) = x_c; + f[index[DIM]] = f_c; + lastOp = SimplexOp::ContractOut; + } else { + shrink(x0, index, f, objFunc); + lastOp = SimplexOp::Shrink; + } + } else { + // inside + const TVector x_c = ( 1 - gam ) * x_bar + gam * x0.col(index[DIM]); + const Scalar f_c = objFunc(x_c); + if (f_c < f[index[DIM]]) { + x0.col(index[DIM]) = x_c; + f[index[DIM]] = f_c; + lastOp = SimplexOp::ContractIn; + } else { + shrink(x0, index, f, objFunc); + lastOp = SimplexOp::Shrink; + } + } + } + } + sort(index.begin(), index.end(), [&](int a, int b)-> bool { return f[a] < f[b]; }); + iter++; + if (iter >= maxIter) { + stop_condition = Status::IterationLimit; + } + else { + stop_condition = Status::UserDefined; // if stopped in the callback in while() + } + } // while loop + + // report the last result + objFunc.detailed_callback(this->m_current, lastOp, index[0], x0, f); + x = x0.col(index[0]); + } + + void shrink(MatrixType &x, std::vector &index, std::vector &f, ProblemType &objFunc) { + const Scalar sig = 0.5; // 0 < sig < 1 + const int DIM = x.rows(); + f[index[0]] = objFunc(x.col(index[0])); + for (int i = 1; i < DIM + 1; ++i) { + x.col(index[i]) = sig * x.col(index[i]) + (1. - sig) * x.col(index[0]); + f[index[i]] = objFunc(x.col(index[i])); + } + } + + // Need our own checker here to get rid of the gradient test used in other solvers + template + Status checkConvergence(const Criteria &stop, const Criteria ¤t) { + if ((stop.iterations > 0) && (current.iterations > stop.iterations)) { + return Status::IterationLimit; + } + if ((stop.xDelta > 0) && (current.xDelta < stop.xDelta)) { + return Status::XDeltaTolerance; + } + if ((stop.fDelta > 0) && (current.fDelta < stop.fDelta)) { + return Status::FDeltaTolerance; + } + return Status::Continue; + } + +}; /* class NelderMeadSolver */ + +} /* namespace cppoptlib */ + +#endif /* NELDERMEADSOLVER_H_ */ diff --git a/thirdparty/cppoptlib/solver/newtondescentsolver.h b/thirdparty/cppoptlib/solver/newtondescentsolver.h new file mode 100644 index 0000000000..689997b363 --- /dev/null +++ b/thirdparty/cppoptlib/solver/newtondescentsolver.h @@ -0,0 +1,43 @@ +// CppNumericalSolver +#include +#include +#include "isolver.h" +#include "../linesearch/armijo.h" + +#ifndef NEWTONDESCENTSOLVER_H_ +#define NEWTONDESCENTSOLVER_H_ + +namespace cppoptlib { + +template +class NewtonDescentSolver : public ISolver { + public: + using Superclass = ISolver; + using typename Superclass::Scalar; + using typename Superclass::TVector; + using typename Superclass::THessian; + + void minimize(ProblemType &objFunc, TVector &x0) { + const int DIM = x0.rows(); + TVector grad = TVector::Zero(DIM); + THessian hessian = THessian::Zero(DIM, DIM); + this->m_current.reset(); + do { + objFunc.gradient(x0, grad); + objFunc.hessian(x0, hessian); + hessian += (1e-5) * THessian::Identity(DIM, DIM); + TVector delta_x = hessian.lu().solve(-grad); + const double rate = Armijo::linesearch(x0, delta_x, objFunc) ; + x0 = x0 + rate * delta_x; + // std::cout << "iter: "<m_current.iterations; + this->m_current.gradNorm = grad.template lpNorm(); + this->m_status = checkConvergence(this->m_stop, this->m_current); + } while (objFunc.callback(this->m_current, x0) && (this->m_status == Status::Continue)); + } +}; + +} +/* namespace cppoptlib */ + +#endif /* NEWTONDESCENTSOLVER_H_ */ diff --git a/thirdparty/cppoptlib/timer.h b/thirdparty/cppoptlib/timer.h new file mode 100644 index 0000000000..b25da8a7f0 --- /dev/null +++ b/thirdparty/cppoptlib/timer.h @@ -0,0 +1,90 @@ +#ifndef TIMER_H +#define TIMER_H + +#include +#include + +namespace cppoptlib { + +template +class timer +{ + std::chrono::time_point start_v; + std::chrono::time_point pause_v; + std::chrono::time_point end_v; + + bool stopped; + bool paused; + +public: + explicit timer() : stopped(false), paused(false) { + start_v = C::now(); + } + ~timer() {} + + /** + * @brief start stopwatch + * @details [long description] + */ + void start() { + start_v = C::now(); + paused = false; + stopped = false; + } + + /** + * @brief pause stopwatch, but allows resuming + * @details [long description] + */ + void pause() { + pause_v = C::now(); + paused = true; + } + + void resume() { + if(stopped) + throw std::runtime_error("cannot resume a stopped timer"); + start_v += C::now() - pause_v; + paused = false; + stopped = false; + } + + void stop() { + end_v = C::now(); + stopped = true; + } + + template + typename U::rep elapsed() const + { + /* + example: + cns::timer t; + t.sart(); + // do something + t.stop(); + std::cout << t.elapsed() << std::endl; + + where UNIT can be: + std::chrono::nanoseconds + std::chrono::microseconds + std::chrono::milliseconds + std::chrono::seconds + std::chrono::minutes + std::chrono::hours + */ + + return + (stopped) ? + std::chrono::duration_cast(end_v - start_v).count() : + (paused) ? + std::chrono::duration_cast(pause_v - start_v).count() : + std::chrono::duration_cast(C::now() - start_v).count();; + } + +}; + +} +/* namespace cns */ + +#endif /* TIMER_H */ diff --git a/thirdparty/nlohmann/nlohmann/adl_serializer.hpp b/thirdparty/nlohmann/adl_serializer.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/adl_serializer.hpp rename to thirdparty/nlohmann/adl_serializer.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/conversions/from_json.hpp b/thirdparty/nlohmann/detail/conversions/from_json.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/conversions/from_json.hpp rename to thirdparty/nlohmann/detail/conversions/from_json.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/conversions/to_chars.hpp b/thirdparty/nlohmann/detail/conversions/to_chars.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/conversions/to_chars.hpp rename to thirdparty/nlohmann/detail/conversions/to_chars.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/conversions/to_json.hpp b/thirdparty/nlohmann/detail/conversions/to_json.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/conversions/to_json.hpp rename to thirdparty/nlohmann/detail/conversions/to_json.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/exceptions.hpp b/thirdparty/nlohmann/detail/exceptions.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/exceptions.hpp rename to thirdparty/nlohmann/detail/exceptions.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/input/binary_reader.hpp b/thirdparty/nlohmann/detail/input/binary_reader.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/input/binary_reader.hpp rename to thirdparty/nlohmann/detail/input/binary_reader.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/input/input_adapters.hpp b/thirdparty/nlohmann/detail/input/input_adapters.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/input/input_adapters.hpp rename to thirdparty/nlohmann/detail/input/input_adapters.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/input/json_sax.hpp b/thirdparty/nlohmann/detail/input/json_sax.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/input/json_sax.hpp rename to thirdparty/nlohmann/detail/input/json_sax.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/input/lexer.hpp b/thirdparty/nlohmann/detail/input/lexer.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/input/lexer.hpp rename to thirdparty/nlohmann/detail/input/lexer.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/input/parser.hpp b/thirdparty/nlohmann/detail/input/parser.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/input/parser.hpp rename to thirdparty/nlohmann/detail/input/parser.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/iterators/internal_iterator.hpp b/thirdparty/nlohmann/detail/iterators/internal_iterator.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/iterators/internal_iterator.hpp rename to thirdparty/nlohmann/detail/iterators/internal_iterator.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/iterators/iter_impl.hpp b/thirdparty/nlohmann/detail/iterators/iter_impl.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/iterators/iter_impl.hpp rename to thirdparty/nlohmann/detail/iterators/iter_impl.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/iterators/iteration_proxy.hpp b/thirdparty/nlohmann/detail/iterators/iteration_proxy.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/iterators/iteration_proxy.hpp rename to thirdparty/nlohmann/detail/iterators/iteration_proxy.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/iterators/json_reverse_iterator.hpp b/thirdparty/nlohmann/detail/iterators/json_reverse_iterator.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/iterators/json_reverse_iterator.hpp rename to thirdparty/nlohmann/detail/iterators/json_reverse_iterator.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/iterators/primitive_iterator.hpp b/thirdparty/nlohmann/detail/iterators/primitive_iterator.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/iterators/primitive_iterator.hpp rename to thirdparty/nlohmann/detail/iterators/primitive_iterator.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/json_pointer.hpp b/thirdparty/nlohmann/detail/json_pointer.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/json_pointer.hpp rename to thirdparty/nlohmann/detail/json_pointer.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/json_ref.hpp b/thirdparty/nlohmann/detail/json_ref.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/json_ref.hpp rename to thirdparty/nlohmann/detail/json_ref.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/macro_scope.hpp b/thirdparty/nlohmann/detail/macro_scope.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/macro_scope.hpp rename to thirdparty/nlohmann/detail/macro_scope.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/macro_unscope.hpp b/thirdparty/nlohmann/detail/macro_unscope.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/macro_unscope.hpp rename to thirdparty/nlohmann/detail/macro_unscope.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/meta/cpp_future.hpp b/thirdparty/nlohmann/detail/meta/cpp_future.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/meta/cpp_future.hpp rename to thirdparty/nlohmann/detail/meta/cpp_future.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/meta/detected.hpp b/thirdparty/nlohmann/detail/meta/detected.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/meta/detected.hpp rename to thirdparty/nlohmann/detail/meta/detected.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/meta/is_sax.hpp b/thirdparty/nlohmann/detail/meta/is_sax.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/meta/is_sax.hpp rename to thirdparty/nlohmann/detail/meta/is_sax.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/meta/type_traits.hpp b/thirdparty/nlohmann/detail/meta/type_traits.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/meta/type_traits.hpp rename to thirdparty/nlohmann/detail/meta/type_traits.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/meta/void_t.hpp b/thirdparty/nlohmann/detail/meta/void_t.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/meta/void_t.hpp rename to thirdparty/nlohmann/detail/meta/void_t.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/output/binary_writer.hpp b/thirdparty/nlohmann/detail/output/binary_writer.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/output/binary_writer.hpp rename to thirdparty/nlohmann/detail/output/binary_writer.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/output/output_adapters.hpp b/thirdparty/nlohmann/detail/output/output_adapters.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/output/output_adapters.hpp rename to thirdparty/nlohmann/detail/output/output_adapters.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/output/serializer.hpp b/thirdparty/nlohmann/detail/output/serializer.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/output/serializer.hpp rename to thirdparty/nlohmann/detail/output/serializer.hpp diff --git a/thirdparty/nlohmann/nlohmann/detail/value_t.hpp b/thirdparty/nlohmann/detail/value_t.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/detail/value_t.hpp rename to thirdparty/nlohmann/detail/value_t.hpp diff --git a/thirdparty/nlohmann/nlohmann/json.hpp b/thirdparty/nlohmann/json.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/json.hpp rename to thirdparty/nlohmann/json.hpp diff --git a/thirdparty/nlohmann/nlohmann/json_fwd.hpp b/thirdparty/nlohmann/json_fwd.hpp similarity index 100% rename from thirdparty/nlohmann/nlohmann/json_fwd.hpp rename to thirdparty/nlohmann/json_fwd.hpp From f9e8230eb4def8b95eab2a3a07f38dd83aa140d8 Mon Sep 17 00:00:00 2001 From: ghutchis Date: Mon, 23 Oct 2023 23:04:00 +0000 Subject: [PATCH 040/186] Automated translation updates Signed-off-by: GitHub --- i18n/avogadrolibs.pot | 515 ++++++++++++++++++++++++++---------------- 1 file changed, 321 insertions(+), 194 deletions(-) diff --git a/i18n/avogadrolibs.pot b/i18n/avogadrolibs.pot index 318ac47cdd..0cd79a0d83 100644 --- a/i18n/avogadrolibs.pot +++ b/i18n/avogadrolibs.pot @@ -8,7 +8,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.97.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-15 02:02+0000\n" +"POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: FULL NAME \n" "Language-Team: LANGUAGE \n" @@ -487,7 +487,7 @@ msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34 :1708 +#: qtgui/elementtranslator.cpp:34 :1747 msgid "Carbon" msgstr "" @@ -569,13 +569,13 @@ msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94 :1711 +#: qtgui/elementtranslator.cpp:94 :1750 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97 :1714 +#: qtgui/elementtranslator.cpp:97 :1753 msgid "Cobalt" msgstr "" @@ -1059,7 +1059,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) -#: qtgui/jsonwidget.cpp:177 :627 +#: qtgui/jsonwidget.cpp:177 :666 msgid "Title" msgstr "" @@ -1240,27 +1240,27 @@ msgstr "" msgid "Warning '%1'" msgstr "" -#: qtgui/pythonscript.cpp:238 +#: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" -#: qtgui/pythonscript.cpp:241 +#: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" -#: qtgui/pythonscript.cpp:244 +#: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" -#: qtgui/pythonscript.cpp:247 +#: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" -#: qtgui/pythonscript.cpp:250 +#: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" -#: qtgui/pythonscript.cpp:254 +#: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" @@ -1289,7 +1289,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252 :1528 +#: qtplugins/selectiontool/selectiontool.cpp:252 :1567 msgid "Change Layer" msgstr "" @@ -1396,16 +1396,16 @@ msgstr "" msgid "Rotate to Standard Orientation" msgstr "" -#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:55 +#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" -#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:61 -#: qtplugins/spacegroup/spacegroup.cpp:219 +#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 +#: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" msgstr "" -#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:244 +#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 msgid "Symmetrize Cell" msgstr "" @@ -1598,14 +1598,14 @@ msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/openbabel/openbabel.cpp:204 qtplugins/openbabel/openbabel.cpp:213 -#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:360 -#: qtplugins/openbabel/openbabel.cpp:386 qtplugins/openbabel/openbabel.cpp:395 -#: qtplugins/openbabel/openbabel.cpp:449 qtplugins/openbabel/openbabel.cpp:499 -#: qtplugins/openbabel/openbabel.cpp:512 qtplugins/openbabel/openbabel.cpp:537 -#: qtplugins/openbabel/openbabel.cpp:551 qtplugins/openbabel/openbabel.cpp:580 -#: qtplugins/openbabel/openbabel.cpp:592 qtplugins/openbabel/openbabel.cpp:638 -#: qtplugins/openbabel/openbabel.cpp:688 qtplugins/openbabel/openbabel.cpp:730 -#: qtplugins/openbabel/openbabel.cpp:762 +#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:362 +#: qtplugins/openbabel/openbabel.cpp:388 qtplugins/openbabel/openbabel.cpp:397 +#: qtplugins/openbabel/openbabel.cpp:451 qtplugins/openbabel/openbabel.cpp:501 +#: qtplugins/openbabel/openbabel.cpp:514 qtplugins/openbabel/openbabel.cpp:539 +#: qtplugins/openbabel/openbabel.cpp:553 qtplugins/openbabel/openbabel.cpp:582 +#: qtplugins/openbabel/openbabel.cpp:594 qtplugins/openbabel/openbabel.cpp:640 +#: qtplugins/openbabel/openbabel.cpp:690 qtplugins/openbabel/openbabel.cpp:732 +#: qtplugins/openbabel/openbabel.cpp:764 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/quantuminput/quantuminput.cpp:111 msgid "Error" @@ -1679,25 +1679,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:734 +#: qtplugins/surfaces/surfaces.cpp:735 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:736 +#: qtplugins/surfaces/surfaces.cpp:737 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:738 +#: qtplugins/surfaces/surfaces.cpp:739 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:740 +#: qtplugins/surfaces/surfaces.cpp:741 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1705,7 +1705,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:742 +#: qtplugins/surfaces/surfaces.cpp:743 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1713,7 +1713,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:744 +#: qtplugins/surfaces/surfaces.cpp:745 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1721,7 +1721,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:746 +#: qtplugins/surfaces/surfaces.cpp:747 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1729,7 +1729,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:748 +#: qtplugins/surfaces/surfaces.cpp:749 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1737,7 +1737,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:750 +#: qtplugins/surfaces/surfaces.cpp:751 msgctxt "colormap" msgid "Cividis" msgstr "" @@ -1749,7 +1749,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:752 :171 rc.cpp:1576 +#: qtplugins/surfaces/surfaces.cpp:753 :171 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" @@ -1759,7 +1759,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:754 :168 rc.cpp:1573 +#: qtplugins/surfaces/surfaces.cpp:755 :168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1769,7 +1769,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:756 :162 rc.cpp:1567 +#: qtplugins/surfaces/surfaces.cpp:757 :162 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" @@ -1779,7 +1779,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:758 :165 rc.cpp:1570 +#: qtplugins/surfaces/surfaces.cpp:759 :165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1791,7 +1791,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:760 :174 rc.cpp:1579 +#: qtplugins/surfaces/surfaces.cpp:761 :174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1803,7 +1803,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 -#: qtplugins/resetview/resetview.cpp:57 +#: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "" @@ -1825,7 +1825,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305 :159 rc.cpp:1564 +#: qtplugins/applycolors/applycolors.cpp:305 :159 rc.cpp:1603 msgid "Colormap:" msgstr "" @@ -1933,6 +1933,18 @@ msgstr "" msgid "Bond" msgstr "" +#: qtplugins/bonding/bonding.cpp:74 +msgid "Remove bonds from all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:76 +msgid "Create bonds between all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:77 +msgid "Perceive bond orders." +msgstr "" + #: qtplugins/bonding/bonding.h:32 msgid "Bonding" msgstr "" @@ -2065,6 +2077,7 @@ msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 +#: qtplugins/forcefield/forcefield.cpp:126 #: qtplugins/openbabel/openbabel.cpp:107 #: qtplugins/plugindownloader/plugindownloader.cpp:40 #: qtplugins/quantuminput/quantuminput.cpp:69 qtplugins/yaehmop/yaehmop.cpp:112 @@ -2238,7 +2251,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158 :1606 rc.cpp:1633 +#: qtplugins/label/label.cpp:158 :1645 rc.cpp:1672 msgid "Custom" msgstr "" @@ -2382,6 +2395,7 @@ msgid "Generate input for CP2K." msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 +#: qtplugins/forcefield/forcefield.cpp:83 msgid "Energy" msgstr "" @@ -2416,13 +2430,13 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397 :680 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397 :719 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365 :1252 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365 :1291 msgid "PME" msgstr "" @@ -2532,7 +2546,7 @@ msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" @@ -2548,11 +2562,19 @@ msgstr "" msgid "Import Crystal from Clipboard" msgstr "" -#: qtplugins/crystal/crystal.cpp:193 +#: qtplugins/crystal/crystal.cpp:175 +msgid "Wrap atoms into the unit cell." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:177 +msgid "Rotate the unit cell to the standard orientation." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" -#: qtplugins/crystal/crystal.cpp:194 +#: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" @@ -2560,7 +2582,7 @@ msgstr "" msgid "Crystal" msgstr "" -#: qtplugins/crystal/crystal.h:64 +#: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" @@ -2643,7 +2665,7 @@ msgstr "" #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#: qtplugins/editor/editortoolwidget.cpp:208 :1585 rc.cpp:1603 +#: qtplugins/editor/editortoolwidget.cpp:208 :1624 rc.cpp:1642 msgid "Automatic" msgstr "" @@ -2734,6 +2756,87 @@ msgstr "" msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" +#: qtplugins/forcefield/forcefield.cpp:75 +msgid "Optimize" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:91 +msgid "Configure…" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:103 +msgid "Freeze Selected Atoms" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:110 +msgid "Unfreeze Selected Atoms" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:126 +msgid "&Calculate" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/openbabel/openbabel.cpp:525 +msgid "Optimize Geometry" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:328 +#, qt-format +msgid "%1 Energy = %L2" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/playertool/playertool.cpp:343 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 +#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/yaehmop/yaehmop.cpp:534 +msgid "Avogadro" +msgstr "" + +#: qtplugins/forcefield/forcefield.h:46 +msgid "Forcefield optimization" +msgstr "" + +#: qtplugins/forcefield/forcefield.h:50 +msgid "Forcefield minimization, including scripts" +msgstr "" + +#: qtplugins/forcefield/forcefielddialog.cpp:119 +#: qtplugins/openbabel/obforcefielddialog.cpp:319 +#, qt-format +msgid "Autodetect (%1)" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:77 +msgid "Universal Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:82 +msgid "Generalized Amber Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:96 +msgid "Merck Molecular Force Field 94" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:238 +#, qt-format +msgid "Error retrieving metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:248 +#, qt-format +msgid "Error parsing metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:256 +#, qt-format +msgid "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" +msgstr "" + #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" @@ -2884,7 +2987,7 @@ msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168 :561 +#: qtplugins/insertdna/insertdna.cpp:168 :600 msgid "Thymine" msgstr "" @@ -2892,7 +2995,7 @@ msgstr "" #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 -#: qtplugins/lineformatinput/lineformatinput.cpp:123 :982 +#: qtplugins/lineformatinput/lineformatinput.cpp:123 :1021 msgid "Insert Molecule…" msgstr "" @@ -2957,7 +3060,7 @@ msgstr "" #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193 :1261 +#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193 :1300 msgid "None" msgstr "" @@ -3138,7 +3241,7 @@ msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) -#: qtplugins/meshes/meshes.cpp:170 :1519 +#: qtplugins/meshes/meshes.cpp:170 :1558 msgid "Opacity:" msgstr "" @@ -3157,7 +3260,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:243 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3169,7 +3272,7 @@ msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::MolecularPropertiesDialog) -#: qtplugins/molecularproperties/molecularproperties.h:31 :1042 +#: qtplugins/molecularproperties/molecularproperties.h:31 :1081 msgid "Molecular Properties" msgstr "" @@ -3192,35 +3295,35 @@ msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228 :1072 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228 :1111 msgid "Molecule Name:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231 :1048 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231 :1087 msgid "Molecular Mass (g/mol):" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:221 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233 :1054 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233 :1093 msgid "Chemical Formula:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:63 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:223 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236 :1060 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236 :1099 msgid "Number of Atoms:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_8) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:225 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238 :1066 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238 :1105 msgid "Number of Bonds:" msgstr "" @@ -3283,15 +3386,6 @@ msgstr "" msgid "Chalcogen" msgstr "" -#: qtplugins/openbabel/obforcefielddialog.cpp:319 -#, qt-format -msgid "Autodetect (%1)" -msgstr "" - -#: qtplugins/openbabel/openbabel.cpp:45 qtplugins/openbabel/openbabel.cpp:523 -msgid "Optimize Geometry" -msgstr "" - #: qtplugins/openbabel/openbabel.cpp:52 msgid "Configure Force Field…" msgstr "" @@ -3335,42 +3429,42 @@ msgstr "" msgid "Error parsing openbabel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:361 qtplugins/openbabel/openbabel.cpp:396 +#: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:387 +#: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:405 +#: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:430 +#: qtplugins/openbabel/openbabel.cpp:432 msgid "Optimizing Geometry (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:431 +#: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:450 +#: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:456 +#: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:470 qtplugins/openbabel/openbabel.cpp:478 +#: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format msgid "" "Step %1 of %2\n" @@ -3378,102 +3472,102 @@ msgid "" "dE: %4" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:492 +#: qtplugins/openbabel/openbabel.cpp:494 msgid "Updating molecule…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:500 qtplugins/openbabel/openbabel.cpp:581 -#: qtplugins/openbabel/openbabel.cpp:763 +#: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 +#: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:513 qtplugins/openbabel/openbabel.cpp:593 +#: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:532 +#: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:538 +#: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:544 +#: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:545 +#: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:552 +#: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:563 +#: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:573 +#: qtplugins/openbabel/openbabel.cpp:575 msgid "Updating molecule from Open Babel…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:625 qtplugins/openbabel/openbabel.cpp:667 +#: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:630 qtplugins/openbabel/openbabel.cpp:680 +#: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 msgid "Adding Hydrogens (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:631 +#: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:639 qtplugins/openbabel/openbabel.cpp:689 +#: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:652 qtplugins/openbabel/openbabel.cpp:702 -#: qtplugins/openbabel/openbabel.cpp:744 +#: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 +#: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 msgid "Add hydrogens for pH" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 msgid "pH:" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:681 qtplugins/openbabel/openbabel.cpp:723 +#: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:717 +#: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:722 +#: qtplugins/openbabel/openbabel.cpp:724 msgid "Removing Hydrogens (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:731 +#: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:754 +#: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:817 +#: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." @@ -3523,7 +3617,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) -#: qtplugins/openmminput/openmminputdialog.cpp:497 :1162 +#: qtplugins/openmminput/openmminputdialog.cpp:497 :1201 msgid "input.prmtop" msgstr "" @@ -3553,7 +3647,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 -#: qtplugins/openmminput/openmminputdialog.cpp:1069 :1279 rc.cpp:1294 +#: qtplugins/openmminput/openmminputdialog.cpp:1069 :1318 rc.cpp:1333 msgid "True" msgstr "" @@ -3596,7 +3690,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113 :1636 +#: qtplugins/playertool/playertool.cpp:113 :1675 msgid "Frame:" msgstr "" @@ -3628,7 +3722,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:854 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 msgid "GIF (*.gif)" msgstr "" @@ -3644,18 +3738,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "" -#: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:882 -#: qtplugins/surfaces/surfaces.cpp:926 qtplugins/surfaces/surfaces.cpp:938 -#: qtplugins/yaehmop/yaehmop.cpp:534 -msgid "Avogadro" -msgstr "" - -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:927 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4067,14 +4154,18 @@ msgstr "" msgid "Generate input for quantum codes." msgstr "" -#: qtplugins/resetview/resetview.cpp:37 +#: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" -#: qtplugins/resetview/resetview.cpp:38 +#: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" +#: qtplugins/resetview/resetview.cpp:52 +msgid "Align view to axes." +msgstr "" + #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" @@ -4197,7 +4288,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30 :1675 +#: qtplugins/select/select.h:30 :1714 msgid "Select" msgstr "" @@ -4229,97 +4320,101 @@ msgstr "" msgid "New Layer" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:49 +#: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:67 :1660 +#: qtplugins/spacegroup/spacegroup.cpp:68 :1699 msgid "Symmetrize" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:72 +#: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:77 -#: qtplugins/spacegroup/spacegroup.cpp:294 +#: qtplugins/spacegroup/spacegroup.cpp:78 +#: qtplugins/spacegroup/spacegroup.cpp:315 msgid "Reduce to Asymmetric Unit" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:83 +#: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:178 +#: qtplugins/spacegroup/spacegroup.cpp:112 +msgid "Fill symmetric atoms based on the crystal space group." +msgstr "" + +#: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:179 +#: qtplugins/spacegroup/spacegroup.cpp:200 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:194 +#: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:195 -#: qtplugins/spacegroup/spacegroup.cpp:220 -#: qtplugins/spacegroup/spacegroup.cpp:245 +#: qtplugins/spacegroup/spacegroup.cpp:216 +#: qtplugins/spacegroup/spacegroup.cpp:241 +#: qtplugins/spacegroup/spacegroup.cpp:266 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:208 +#: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:233 +#: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:257 +#: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:315 qtplugins/yaehmop/yaehmop.cpp:209 +#: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:316 +#: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hall" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hermann-Mauguin" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:345 +#: qtplugins/spacegroup/spacegroup.cpp:366 msgid "Select Space Group" msgstr "" @@ -4327,7 +4422,7 @@ msgstr "" msgid "SpaceGroup" msgstr "" -#: qtplugins/spacegroup/spacegroup.h:65 +#: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" @@ -4435,28 +4530,28 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:567 +#: qtplugins/surfaces/surfaces.cpp:568 msgid "Calculating electron density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:576 +#: qtplugins/surfaces/surfaces.cpp:577 msgid "Calculating spin density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:585 +#: qtplugins/surfaces/surfaces.cpp:586 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:831 qtplugins/surfaces/surfaces.cpp:859 +#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:833 +#: qtplugins/surfaces/surfaces.cpp:834 msgid "Export Movie" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:835 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4494,7 +4589,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34 :1645 +#: qtplugins/symmetry/symmetry.h:34 :1684 msgid "Symmetry" msgstr "" @@ -5316,6 +5411,85 @@ msgstr "" msgid "Bond Order:" msgstr "" +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) +msgid "Geometry Optimization Parameters" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +msgid "Convergence Criteria" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label_2) +msgid "Energy convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 +#. i18n: ectx: property (text), widget (QLabel, label_5) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 +#. i18n: ectx: property (text), widget (QLabel, label_5) +msgid "Step limit:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 +#. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +msgid " units" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 +#. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +msgid "10^" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 +#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +msgid " steps" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QLabel, label_4) +msgid "Gradient convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +msgid "Optimization Method" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 +#. i18n: ectx: property (text), widget (QLabel, label) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Force field:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +msgid "Autodetect" +msgstr "" + #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" @@ -6110,21 +6284,6 @@ msgstr "" msgid "TODO" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) -msgid "Geometry Optimization Parameters" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) -msgid "Optimization Method" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Force field:" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" @@ -6155,11 +6314,6 @@ msgstr "" msgid "Newton's Method" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 -#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) -msgid "Autodetect" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" @@ -6187,38 +6341,11 @@ msgstr "" msgid "Å" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 -#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 -#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) -msgid " steps" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) -msgid "Convergence Criteria" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 -#. i18n: ectx: property (text), widget (QLabel, label_5) -msgid "Step limit:" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 -#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) -msgid " units" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 -#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) -msgid "10^" -msgstr "" - #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" From c6afa7e9ceb59a773b5a4aad2b9c7870df130d81 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 23 Oct 2023 22:29:28 -0400 Subject: [PATCH 041/186] Install ligand and functional group fragments Signed-off-by: Geoff Hutchison --- .../qtplugins/templatetool/CMakeLists.txt | 22 +++++++++++++++++++ 1 file changed, 22 insertions(+) diff --git a/avogadro/qtplugins/templatetool/CMakeLists.txt b/avogadro/qtplugins/templatetool/CMakeLists.txt index 91a10eb9cf..9f66eb38cf 100644 --- a/avogadro/qtplugins/templatetool/CMakeLists.txt +++ b/avogadro/qtplugins/templatetool/CMakeLists.txt @@ -21,4 +21,26 @@ avogadro_plugin(TemplateTool "${template_rcs}" ) +# Install the fragments +set(_molecules "${AvogadroLibs_SOURCE_DIR}/../fragments") + +# Look in parallel directory for the molecule fragment repository +if(NOT EXISTS "${_fragments}") +# download molecules... +ExternalProject_Add(fragments + GIT_REPOSITORY https://github.com/openchemistry/fragments + GIT_TAG main + # or https://github.com/OpenChemistry/molecules/archive/refs/heads/master.zip + SOURCE_DIR "${AvogadroLibs_SOURCE_DIR}/../fragments" + CONFIGURE_COMMAND "" + BUILD_COMMAND "" + INSTALL_COMMAND "" +) +endif() + +install(DIRECTORY "${AvogadroLibs_SOURCE_DIR}/../fragments" + DESTINATION "${INSTALL_DATA_DIR}/avogadro2" + PATTERN ".git" EXCLUDE +) + target_link_libraries(TemplateTool LINK_PRIVATE Avogadro::QtOpenGL) From 857c54e11efa32f9d877f6c81116aada502d1693 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 23 Oct 2023 23:30:13 -0400 Subject: [PATCH 042/186] Switch to L-BFGS and fixup GFN-FF parsing Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/forcefield/forcefield.cpp | 3 ++- avogadro/qtplugins/forcefield/scriptenergy.cpp | 8 +++++--- avogadro/qtplugins/forcefield/scripts/gfn1.py | 2 +- avogadro/qtplugins/forcefield/scripts/gfn2.py | 2 +- avogadro/qtplugins/forcefield/scripts/gfnff.py | 4 ++-- 5 files changed, 11 insertions(+), 8 deletions(-) diff --git a/avogadro/qtplugins/forcefield/forcefield.cpp b/avogadro/qtplugins/forcefield/forcefield.cpp index d97402e837..4ae132fc9a 100644 --- a/avogadro/qtplugins/forcefield/forcefield.cpp +++ b/avogadro/qtplugins/forcefield/forcefield.cpp @@ -205,7 +205,8 @@ void Forcefield::optimize() bool isInteractive = m_molecule->undoMolecule()->isInteractive(); m_molecule->undoMolecule()->setInteractive(true); - cppoptlib::ConjugatedGradientDescentSolver solver; + cppoptlib::LbfgsSolver solver; + // cppoptlib::ConjugatedGradientDescentSolver solver; int n = m_molecule->atomCount(); diff --git a/avogadro/qtplugins/forcefield/scriptenergy.cpp b/avogadro/qtplugins/forcefield/scriptenergy.cpp index a637f680bc..f7bc5c7e9f 100644 --- a/avogadro/qtplugins/forcefield/scriptenergy.cpp +++ b/avogadro/qtplugins/forcefield/scriptenergy.cpp @@ -125,9 +125,11 @@ Real ScriptEnergy::value(const Eigen::VectorXd& x) double energy = 0.0; for (auto line : lines) { if (line.startsWith("AvogadroEnergy:")) { - QStringList items = line.split(" "); - if (items.size() > 1) + QStringList items = line.split(" ", QString::SkipEmptyParts); + if (items.size() > 1) { energy = items[1].toDouble(); + break; + } } } @@ -163,7 +165,7 @@ void ScriptEnergy::gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) } if (readingGrad) { - QStringList items = line.split(" "); + QStringList items = line.split(" ", QString::SkipEmptyParts); if (items.size() == 3) { grad[i] = items[0].toDouble(); grad[i + 1] = items[1].toDouble(); diff --git a/avogadro/qtplugins/forcefield/scripts/gfn1.py b/avogadro/qtplugins/forcefield/scripts/gfn1.py index 14e2e83a07..fdb5a5fb1f 100644 --- a/avogadro/qtplugins/forcefield/scripts/gfn1.py +++ b/avogadro/qtplugins/forcefield/scripts/gfn1.py @@ -64,7 +64,7 @@ def run(filename): while(True): # read new coordinates from stdin for i in range(len(atoms)): - coordinates[i] = np.fromstring(input(), sep=" ") + coordinates[i] = np.fromstring(input()) # .. convert from Angstrom to Bohr coordinates /= 0.52917721067 diff --git a/avogadro/qtplugins/forcefield/scripts/gfn2.py b/avogadro/qtplugins/forcefield/scripts/gfn2.py index 46cd1402c9..7b67c67c7e 100644 --- a/avogadro/qtplugins/forcefield/scripts/gfn2.py +++ b/avogadro/qtplugins/forcefield/scripts/gfn2.py @@ -64,7 +64,7 @@ def run(filename): while(True): # read new coordinates from stdin for i in range(len(atoms)): - coordinates[i] = np.fromstring(input(), sep=" ") + coordinates[i] = np.fromstring(input()) # .. convert from Angstrom to Bohr coordinates /= 0.52917721067 diff --git a/avogadro/qtplugins/forcefield/scripts/gfnff.py b/avogadro/qtplugins/forcefield/scripts/gfnff.py index c487949193..e8f5b1ae73 100644 --- a/avogadro/qtplugins/forcefield/scripts/gfnff.py +++ b/avogadro/qtplugins/forcefield/scripts/gfnff.py @@ -66,7 +66,7 @@ def run(filename): while True: # read new coordinates from stdin for i in range(len(atoms)): - coordinates[i] = np.fromstring(input(), sep=" ") + coordinates[i] = np.fromstring(input()) # .. convert from Angstrom to Bohr coordinates /= 0.52917721067 @@ -80,7 +80,7 @@ def run(filename): # now print the gradient # .. we don't want the "[]" in the output print("AvogadroGradient:") - grad = res.get_gradient() * 496100.475 # convert units + grad = res.get_gradient() * 4961.475 # convert units output = np.array2string(grad) output = output.replace("[", "").replace("]", "") print(output) From b626114116c79de7c959e4c0960e2594344a5334 Mon Sep 17 00:00:00 2001 From: Hosted Weblate Date: Mon, 23 Oct 2023 23:14:58 +0000 Subject: [PATCH 043/186] Update translation files Updated by "Update PO files to match POT (msgmerge)" hook in Weblate. Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ --- i18n/af.po | 515 +++++++++++++++++++++++--------------- i18n/ar.po | 522 +++++++++++++++++++++++--------------- i18n/bg.po | 531 ++++++++++++++++++++++++--------------- i18n/bs.po | 551 ++++++++++++++++++++++++---------------- i18n/ca.po | 551 ++++++++++++++++++++++++---------------- i18n/ca@valencia.po | 551 ++++++++++++++++++++++++---------------- i18n/cs.po | 558 +++++++++++++++++++++++++---------------- i18n/da.po | 546 +++++++++++++++++++++++++--------------- i18n/de.po | 560 +++++++++++++++++++++++++---------------- i18n/el.po | 558 +++++++++++++++++++++++++---------------- i18n/en_AU.po | 551 ++++++++++++++++++++++++---------------- i18n/en_CA.po | 551 ++++++++++++++++++++++++---------------- i18n/en_GB.po | 558 +++++++++++++++++++++++++---------------- i18n/eo.po | 541 +++++++++++++++++++++++++--------------- i18n/es.po | 559 +++++++++++++++++++++++++---------------- i18n/et.po | 527 ++++++++++++++++++++++++--------------- i18n/eu.po | 559 +++++++++++++++++++++++++---------------- i18n/fa.po | 515 +++++++++++++++++++++++--------------- i18n/fi.po | 541 +++++++++++++++++++++++++--------------- i18n/fr.po | 562 +++++++++++++++++++++++++---------------- i18n/fr_CA.po | 515 +++++++++++++++++++++++--------------- i18n/gl.po | 554 +++++++++++++++++++++++++---------------- i18n/he.po | 519 +++++++++++++++++++++++--------------- i18n/hi.po | 515 +++++++++++++++++++++++--------------- i18n/hr.po | 515 +++++++++++++++++++++++--------------- i18n/hu.po | 595 +++++++++++++++++++++++++++----------------- i18n/id.po | 558 +++++++++++++++++++++++++---------------- i18n/it.po | 563 +++++++++++++++++++++++++---------------- i18n/ja.po | 559 +++++++++++++++++++++++++---------------- i18n/ka.po | 531 ++++++++++++++++++++++++--------------- i18n/kn.po | 517 +++++++++++++++++++++++--------------- i18n/ko.po | 556 ++++++++++++++++++++++++++--------------- i18n/ms.po | 558 +++++++++++++++++++++++++---------------- i18n/nb.po | 538 ++++++++++++++++++++++++--------------- i18n/nl.po | 554 +++++++++++++++++++++++++---------------- i18n/oc.po | 535 ++++++++++++++++++++++++--------------- i18n/pl.po | 525 +++++++++++++++++++++++--------------- i18n/pt.po | 556 ++++++++++++++++++++++++++--------------- i18n/pt_BR.po | 559 +++++++++++++++++++++++++---------------- i18n/ro.po | 515 +++++++++++++++++++++++--------------- i18n/ru.po | 553 ++++++++++++++++++++++++---------------- i18n/sa.po | 515 +++++++++++++++++++++++--------------- i18n/sk.po | 540 +++++++++++++++++++++++++--------------- i18n/sl.po | 558 +++++++++++++++++++++++++---------------- i18n/sq.po | 517 +++++++++++++++++++++++--------------- i18n/sr.po | 562 +++++++++++++++++++++++++---------------- i18n/sv.po | 524 +++++++++++++++++++++++--------------- i18n/ta.po | 515 +++++++++++++++++++++++--------------- i18n/te.po | 515 +++++++++++++++++++++++--------------- i18n/th.po | 515 +++++++++++++++++++++++--------------- i18n/tr.po | 554 ++++++++++++++++++++++++++--------------- i18n/ug.po | 520 +++++++++++++++++++++++--------------- i18n/uk.po | 558 +++++++++++++++++++++++++---------------- i18n/vi.po | 551 ++++++++++++++++++++++++---------------- i18n/zh_CN.po | 553 ++++++++++++++++++++++++---------------- i18n/zh_TW.po | 551 ++++++++++++++++++++++++---------------- 56 files changed, 18898 insertions(+), 11447 deletions(-) diff --git a/i18n/af.po b/i18n/af.po index cd1eab6432..247176e6cf 100644 --- a/i18n/af.po +++ b/i18n/af.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-15 02:02+0000\n" +"POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2021-06-19 13:34+0000\n" "Last-Translator: Nathan \n" "Language-Team: Afrikaans \n" "Language-Team: Arabic \n" "Language-Team: Bulgarian \n" "Language-Team: Bosnian \n" "Language-Team: Catalan \n" "Language-Team: Catalan (Valencia) \n" @@ -489,7 +489,7 @@ msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1708 +#: qtgui/elementtranslator.cpp:34:1747 msgid "Carbon" msgstr "Carboni" @@ -571,13 +571,13 @@ msgstr "Manganés" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1711 +#: qtgui/elementtranslator.cpp:94:1750 msgid "Iron" msgstr "Ferro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1714 +#: qtgui/elementtranslator.cpp:97:1753 msgid "Cobalt" msgstr "Cobalt" @@ -1064,7 +1064,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) -#: qtgui/jsonwidget.cpp:177:627 +#: qtgui/jsonwidget.cpp:177:666 msgid "Title" msgstr "Títol" @@ -1255,27 +1255,27 @@ msgstr "" msgid "Warning '%1'" msgstr "" -#: qtgui/pythonscript.cpp:238 +#: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" -#: qtgui/pythonscript.cpp:241 +#: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" -#: qtgui/pythonscript.cpp:244 +#: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" -#: qtgui/pythonscript.cpp:247 +#: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" -#: qtgui/pythonscript.cpp:250 +#: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" -#: qtgui/pythonscript.cpp:254 +#: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" @@ -1306,7 +1306,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1528 +#: qtplugins/selectiontool/selectiontool.cpp:252:1567 #, fuzzy msgid "Change Layer" msgstr "Canvia l'orde de l'enllaç" @@ -1422,16 +1422,16 @@ msgstr "" msgid "Rotate to Standard Orientation" msgstr "" -#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:55 +#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" -#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:61 -#: qtplugins/spacegroup/spacegroup.cpp:219 +#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 +#: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" msgstr "" -#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:244 +#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 #, fuzzy msgid "Symmetrize Cell" msgstr "Super cel·la" @@ -1641,14 +1641,14 @@ msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/openbabel/openbabel.cpp:204 qtplugins/openbabel/openbabel.cpp:213 -#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:360 -#: qtplugins/openbabel/openbabel.cpp:386 qtplugins/openbabel/openbabel.cpp:395 -#: qtplugins/openbabel/openbabel.cpp:449 qtplugins/openbabel/openbabel.cpp:499 -#: qtplugins/openbabel/openbabel.cpp:512 qtplugins/openbabel/openbabel.cpp:537 -#: qtplugins/openbabel/openbabel.cpp:551 qtplugins/openbabel/openbabel.cpp:580 -#: qtplugins/openbabel/openbabel.cpp:592 qtplugins/openbabel/openbabel.cpp:638 -#: qtplugins/openbabel/openbabel.cpp:688 qtplugins/openbabel/openbabel.cpp:730 -#: qtplugins/openbabel/openbabel.cpp:762 +#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:362 +#: qtplugins/openbabel/openbabel.cpp:388 qtplugins/openbabel/openbabel.cpp:397 +#: qtplugins/openbabel/openbabel.cpp:451 qtplugins/openbabel/openbabel.cpp:501 +#: qtplugins/openbabel/openbabel.cpp:514 qtplugins/openbabel/openbabel.cpp:539 +#: qtplugins/openbabel/openbabel.cpp:553 qtplugins/openbabel/openbabel.cpp:582 +#: qtplugins/openbabel/openbabel.cpp:594 qtplugins/openbabel/openbabel.cpp:640 +#: qtplugins/openbabel/openbabel.cpp:690 qtplugins/openbabel/openbabel.cpp:732 +#: qtplugins/openbabel/openbabel.cpp:764 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/quantuminput/quantuminput.cpp:111 msgid "Error" @@ -1731,25 +1731,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:734 +#: qtplugins/surfaces/surfaces.cpp:735 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:736 +#: qtplugins/surfaces/surfaces.cpp:737 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:738 +#: qtplugins/surfaces/surfaces.cpp:739 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:740 +#: qtplugins/surfaces/surfaces.cpp:741 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1757,7 +1757,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:742 +#: qtplugins/surfaces/surfaces.cpp:743 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1765,7 +1765,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:744 +#: qtplugins/surfaces/surfaces.cpp:745 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1773,7 +1773,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:746 +#: qtplugins/surfaces/surfaces.cpp:747 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1781,7 +1781,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:748 +#: qtplugins/surfaces/surfaces.cpp:749 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1789,7 +1789,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:750 +#: qtplugins/surfaces/surfaces.cpp:751 msgctxt "colormap" msgid "Cividis" msgstr "" @@ -1801,7 +1801,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:752:171 rc.cpp:1576 +#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 #, fuzzy #| msgid "Spectra" msgctxt "colormap" @@ -1813,7 +1813,7 @@ msgstr "Espectre" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:754:168 rc.cpp:1573 +#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1823,7 +1823,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:756:162 rc.cpp:1567 +#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1835,7 +1835,7 @@ msgstr "Cancel·la" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:758:165 rc.cpp:1570 +#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1847,7 +1847,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1579 +#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1859,7 +1859,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 -#: qtplugins/resetview/resetview.cpp:57 +#: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Visualitza" @@ -1885,7 +1885,7 @@ msgstr "Colors seleccionats" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1564 +#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 #, fuzzy #| msgid "Color:" msgid "Colormap:" @@ -2006,6 +2006,19 @@ msgstr "&Compila" msgid "Bond" msgstr "Enllaç" +#: qtplugins/bonding/bonding.cpp:74 +msgid "Remove bonds from all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:76 +msgid "Create bonds between all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:77 +#, fuzzy +msgid "Perceive bond orders." +msgstr "Voleu detectar els enllaços?" + #: qtplugins/bonding/bonding.h:32 msgid "Bonding" msgstr "" @@ -2151,6 +2164,7 @@ msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 +#: qtplugins/forcefield/forcefield.cpp:126 #: qtplugins/openbabel/openbabel.cpp:107 #: qtplugins/plugindownloader/plugindownloader.cpp:40 #: qtplugins/quantuminput/quantuminput.cpp:69 qtplugins/yaehmop/yaehmop.cpp:112 @@ -2339,7 +2353,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1606 rc.cpp:1633 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 msgid "Custom" msgstr "Personalitzat" @@ -2488,6 +2502,7 @@ msgid "Generate input for CP2K." msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 +#: qtplugins/forcefield/forcefield.cpp:83 msgid "Energy" msgstr "Energia" @@ -2525,13 +2540,13 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:680 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:719 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1252 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1291 msgid "PME" msgstr "" @@ -2645,7 +2660,7 @@ msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" @@ -2661,11 +2676,19 @@ msgstr "" msgid "Import Crystal from Clipboard" msgstr "" -#: qtplugins/crystal/crystal.cpp:193 +#: qtplugins/crystal/crystal.cpp:175 +msgid "Wrap atoms into the unit cell." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:177 +msgid "Rotate the unit cell to the standard orientation." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" -#: qtplugins/crystal/crystal.cpp:194 +#: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" @@ -2673,7 +2696,7 @@ msgstr "" msgid "Crystal" msgstr "" -#: qtplugins/crystal/crystal.h:64 +#: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" @@ -2760,7 +2783,7 @@ msgstr "Altra" #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#: qtplugins/editor/editortoolwidget.cpp:208:1585 rc.cpp:1603 +#: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" msgstr "" @@ -2856,6 +2879,104 @@ msgstr "" msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" +#: qtplugins/forcefield/forcefield.cpp:75 +#, fuzzy +#| msgid "Optimization" +msgid "Optimize" +msgstr "Optimització" + +#: qtplugins/forcefield/forcefield.cpp:91 +#, fuzzy +msgid "Configure…" +msgstr "Configura el camp de força…" + +#: qtplugins/forcefield/forcefield.cpp:103 +#, fuzzy +#| msgid "Import Selected Atoms" +msgid "Freeze Selected Atoms" +msgstr "Importa Àtoms Seleccionats" + +#: qtplugins/forcefield/forcefield.cpp:110 +#, fuzzy +#| msgid "Fix Selected Atoms" +msgid "Unfreeze Selected Atoms" +msgstr "Fixa els àtoms seleccionats" + +#: qtplugins/forcefield/forcefield.cpp:126 +#, fuzzy +#| msgid "Calculate" +msgid "&Calculate" +msgstr "Calcula" + +#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/openbabel/openbabel.cpp:525 +#, fuzzy +msgid "Optimize Geometry" +msgstr "&Optimitza Geometria" + +#: qtplugins/forcefield/forcefield.cpp:328 +#, fuzzy, qt-format +#| msgid "Energy = %L1 %2" +msgid "%1 Energy = %L2" +msgstr "Energia = %L1 %2" + +#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/playertool/playertool.cpp:343 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 +#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/yaehmop/yaehmop.cpp:534 +msgid "Avogadro" +msgstr "Avogadro" + +#: qtplugins/forcefield/forcefield.h:46 +#, fuzzy +#| msgid "Forcefield Optimization" +msgid "Forcefield optimization" +msgstr "Optimització del camp de forces" + +#: qtplugins/forcefield/forcefield.h:50 +#, fuzzy +#| msgid "Forcefield Optimization" +msgid "Forcefield minimization, including scripts" +msgstr "Optimització del camp de forces" + +#: qtplugins/forcefield/forcefielddialog.cpp:119 +#: qtplugins/openbabel/obforcefielddialog.cpp:319 +#, qt-format +msgid "Autodetect (%1)" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:77 +#, fuzzy +#| msgid "Force Field" +msgid "Universal Force Field" +msgstr "Camp de força" + +#: qtplugins/forcefield/obmmenergy.cpp:82 +msgid "Generalized Amber Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:96 +msgid "Merck Molecular Force Field 94" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:238 +#, qt-format +msgid "Error retrieving metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:248 +#, qt-format +msgid "Error parsing metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:256 +#, qt-format +msgid "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" +msgstr "" + #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "&GAMESS" @@ -3020,7 +3141,7 @@ msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:561 +#: qtplugins/insertdna/insertdna.cpp:168:600 msgid "Thymine" msgstr "" @@ -3028,7 +3149,7 @@ msgstr "" #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 -#: qtplugins/lineformatinput/lineformatinput.cpp:123:982 +#: qtplugins/lineformatinput/lineformatinput.cpp:123:1021 #, fuzzy #| msgid "Molecule" msgid "Insert Molecule…" @@ -3103,7 +3224,7 @@ msgstr "Distància" #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1261 +#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" msgstr "Cap" @@ -3299,7 +3420,7 @@ msgstr "Mesura" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) -#: qtplugins/meshes/meshes.cpp:170:1519 +#: qtplugins/meshes/meshes.cpp:170:1558 msgid "Opacity:" msgstr "Opacitat:" @@ -3319,7 +3440,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:243 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 #, fuzzy msgid "&Analysis" msgstr "Analític" @@ -3332,7 +3453,7 @@ msgstr "&Propietats" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::MolecularPropertiesDialog) -#: qtplugins/molecularproperties/molecularproperties.h:31:1042 +#: qtplugins/molecularproperties/molecularproperties.h:31:1081 msgid "Molecular Properties" msgstr "Propietats de la molècula" @@ -3357,7 +3478,7 @@ msgstr "No està configurada la molècula" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1072 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 #, fuzzy #| msgid "IUPAC Molecule Name:" msgid "Molecule Name:" @@ -3366,7 +3487,7 @@ msgstr "Nom de la molècula IUPAC:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1048 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1087 #, fuzzy msgid "Molecular Mass (g/mol):" msgstr "Massa molecular (g/mol)" @@ -3374,21 +3495,21 @@ msgstr "Massa molecular (g/mol)" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:221 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1054 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1093 msgid "Chemical Formula:" msgstr "Formula química:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:63 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:223 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1060 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1099 msgid "Number of Atoms:" msgstr "Número d'àtoms:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_8) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:225 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1066 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1105 msgid "Number of Bonds:" msgstr "Número d'enllaços:" @@ -3458,16 +3579,6 @@ msgstr "Hidrogen" msgid "Chalcogen" msgstr "" -#: qtplugins/openbabel/obforcefielddialog.cpp:319 -#, qt-format -msgid "Autodetect (%1)" -msgstr "" - -#: qtplugins/openbabel/openbabel.cpp:45 qtplugins/openbabel/openbabel.cpp:523 -#, fuzzy -msgid "Optimize Geometry" -msgstr "&Optimitza Geometria" - #: qtplugins/openbabel/openbabel.cpp:52 #, fuzzy msgid "Configure Force Field…" @@ -3515,43 +3626,43 @@ msgstr "" msgid "Error parsing openbabel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:361 qtplugins/openbabel/openbabel.cpp:396 +#: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:387 +#: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:405 +#: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:430 +#: qtplugins/openbabel/openbabel.cpp:432 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "&Optimitza Geometria" -#: qtplugins/openbabel/openbabel.cpp:431 +#: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:450 +#: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:456 +#: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:470 qtplugins/openbabel/openbabel.cpp:478 +#: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format msgid "" "Step %1 of %2\n" @@ -3559,17 +3670,17 @@ msgid "" "dE: %4" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:492 +#: qtplugins/openbabel/openbabel.cpp:494 #, fuzzy msgid "Updating molecule…" msgstr "No està configurada la molècula" -#: qtplugins/openbabel/openbabel.cpp:500 qtplugins/openbabel/openbabel.cpp:581 -#: qtplugins/openbabel/openbabel.cpp:763 +#: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 +#: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:513 qtplugins/openbabel/openbabel.cpp:593 +#: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " @@ -3578,91 +3689,91 @@ msgstr "" "El fitxer trajectòria %1 no concorda amb el nombre d'àtoms de l'actual " "molècula" -#: qtplugins/openbabel/openbabel.cpp:532 +#: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:538 +#: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:544 +#: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:545 +#: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:552 +#: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:563 +#: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:573 +#: qtplugins/openbabel/openbabel.cpp:575 #, fuzzy msgid "Updating molecule from Open Babel…" msgstr "No està configurada la molècula" -#: qtplugins/openbabel/openbabel.cpp:625 qtplugins/openbabel/openbabel.cpp:667 +#: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:630 qtplugins/openbabel/openbabel.cpp:680 +#: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Afig hidrògens" -#: qtplugins/openbabel/openbabel.cpp:631 +#: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:639 qtplugins/openbabel/openbabel.cpp:689 +#: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:652 qtplugins/openbabel/openbabel.cpp:702 -#: qtplugins/openbabel/openbabel.cpp:744 +#: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 +#: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "Add hydrogens for pH" msgstr "Afig hidrògens per al pH" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "pH:" msgstr "pH" -#: qtplugins/openbabel/openbabel.cpp:681 qtplugins/openbabel/openbabel.cpp:723 +#: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:717 +#: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:722 +#: qtplugins/openbabel/openbabel.cpp:724 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Suprimeix hidrògens" -#: qtplugins/openbabel/openbabel.cpp:731 +#: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:754 +#: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:817 +#: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." @@ -3715,7 +3826,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) -#: qtplugins/openmminput/openmminputdialog.cpp:497:1162 +#: qtplugins/openmminput/openmminputdialog.cpp:497:1201 msgid "input.prmtop" msgstr "" @@ -3745,7 +3856,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 -#: qtplugins/openmminput/openmminputdialog.cpp:1069:1279 rc.cpp:1294 +#: qtplugins/openmminput/openmminputdialog.cpp:1069:1318 rc.cpp:1333 msgid "True" msgstr "" @@ -3791,7 +3902,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1636 +#: qtplugins/playertool/playertool.cpp:113:1675 #, fuzzy msgid "Frame:" msgstr "Paràmetres:" @@ -3825,7 +3936,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:854 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 msgid "GIF (*.gif)" msgstr "" @@ -3842,18 +3953,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "fitxers de vídeo (*.avi)" -#: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:882 -#: qtplugins/surfaces/surfaces.cpp:926 qtplugins/surfaces/surfaces.cpp:938 -#: qtplugins/yaehmop/yaehmop.cpp:534 -msgid "Avogadro" -msgstr "Avogadro" - -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:927 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4307,14 +4411,20 @@ msgstr "" msgid "Generate input for quantum codes." msgstr "" -#: qtplugins/resetview/resetview.cpp:37 +#: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" -#: qtplugins/resetview/resetview.cpp:38 +#: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" +#: qtplugins/resetview/resetview.cpp:52 +#, fuzzy +#| msgid "Align Settings" +msgid "Align view to axes." +msgstr "Configuració de l'alineació" + #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" @@ -4461,7 +4571,7 @@ msgstr "Selecciona per residu..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1675 +#: qtplugins/select/select.h:30:1714 #, fuzzy msgid "Select" msgstr "&Selecciona" @@ -4497,100 +4607,104 @@ msgstr "" msgid "New Layer" msgstr "Etiqueta nova" -#: qtplugins/spacegroup/spacegroup.cpp:49 +#: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:67:1660 +#: qtplugins/spacegroup/spacegroup.cpp:68:1699 msgid "Symmetrize" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:72 +#: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Omple la cel·la unitat" -#: qtplugins/spacegroup/spacegroup.cpp:77 -#: qtplugins/spacegroup/spacegroup.cpp:294 +#: qtplugins/spacegroup/spacegroup.cpp:78 +#: qtplugins/spacegroup/spacegroup.cpp:315 msgid "Reduce to Asymmetric Unit" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:83 +#: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:178 +#: qtplugins/spacegroup/spacegroup.cpp:112 +msgid "Fill symmetric atoms based on the crystal space group." +msgstr "" + +#: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:179 +#: qtplugins/spacegroup/spacegroup.cpp:200 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:194 +#: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:195 -#: qtplugins/spacegroup/spacegroup.cpp:220 -#: qtplugins/spacegroup/spacegroup.cpp:245 +#: qtplugins/spacegroup/spacegroup.cpp:216 +#: qtplugins/spacegroup/spacegroup.cpp:241 +#: qtplugins/spacegroup/spacegroup.cpp:266 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:208 +#: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:233 +#: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:257 +#: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:315 qtplugins/yaehmop/yaehmop.cpp:209 +#: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro" -#: qtplugins/spacegroup/spacegroup.cpp:316 +#: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hall" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hermann-Mauguin" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:345 +#: qtplugins/spacegroup/spacegroup.cpp:366 msgid "Select Space Group" msgstr "" @@ -4598,7 +4712,7 @@ msgstr "" msgid "SpaceGroup" msgstr "" -#: qtplugins/spacegroup/spacegroup.h:65 +#: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" @@ -4719,31 +4833,31 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:567 +#: qtplugins/surfaces/surfaces.cpp:568 #, fuzzy msgid "Calculating electron density" msgstr "Calculant la densitat d'electrons" -#: qtplugins/surfaces/surfaces.cpp:576 +#: qtplugins/surfaces/surfaces.cpp:577 #, fuzzy msgid "Calculating spin density" msgstr "Calculant la densitat d'electrons" -#: qtplugins/surfaces/surfaces.cpp:585 +#: qtplugins/surfaces/surfaces.cpp:586 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:831 qtplugins/surfaces/surfaces.cpp:859 +#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:833 +#: qtplugins/surfaces/surfaces.cpp:834 #, fuzzy msgid "Export Movie" msgstr "E&xporta Imatge" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:835 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4781,7 +4895,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1645 +#: qtplugins/symmetry/symmetry.h:34:1684 msgid "Symmetry" msgstr "" @@ -5621,6 +5735,85 @@ msgstr "Element:" msgid "Bond Order:" msgstr "Orde d'enllaç:" +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) +msgid "Geometry Optimization Parameters" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +msgid "Convergence Criteria" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label_2) +msgid "Energy convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 +#. i18n: ectx: property (text), widget (QLabel, label_5) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 +#. i18n: ectx: property (text), widget (QLabel, label_5) +msgid "Step limit:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 +#. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +msgid " units" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 +#. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +msgid "10^" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 +#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +msgid " steps" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QLabel, label_4) +msgid "Gradient convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +msgid "Optimization Method" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 +#. i18n: ectx: property (text), widget (QLabel, label) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Force field:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +msgid "Autodetect" +msgstr "" + #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" @@ -6450,21 +6643,6 @@ msgstr "&Optimitza Geometria" msgid "TODO" msgstr "PER FER" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) -msgid "Geometry Optimization Parameters" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) -msgid "Optimization Method" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Force field:" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" @@ -6495,11 +6673,6 @@ msgstr "" msgid "Newton's Method" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 -#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) -msgid "Autodetect" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" @@ -6527,38 +6700,11 @@ msgstr "" msgid "Å" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 -#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 -#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) -msgid " steps" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) -msgid "Convergence Criteria" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 -#. i18n: ectx: property (text), widget (QLabel, label_5) -msgid "Step limit:" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 -#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) -msgid " units" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 -#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) -msgid "10^" -msgstr "" - #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" @@ -8084,12 +8230,6 @@ msgstr "" #~ msgstr "" #~ "No es pot establir el camp de forces per esta molècula. Canviant a UFF" -#~ msgid "Energy = %L1 %2" -#~ msgstr "Energia = %L1 %2" - -#~ msgid "Forcefield Optimization" -#~ msgstr "Optimització del camp de forces" - #~ msgid "Systematic Rotor Search" #~ msgstr "Cerca sistemàtica del gir" @@ -9457,9 +9597,6 @@ msgstr "" #~ msgid "Setup Force Field" #~ msgstr "Configura el camp de forces" -#~ msgid "Force Field" -#~ msgstr "Camp de força" - #~ msgid "Ghemical" #~ msgstr "Ghemical" @@ -10321,9 +10458,6 @@ msgstr "" #~ msgid "Gradient" #~ msgstr "Gradient" -#~ msgid "Optimization" -#~ msgstr "Optimització" - #~ msgid "Trudge" #~ msgstr "Trudge" @@ -11208,6 +11342,3 @@ msgstr "" #~ msgid "Z Matrix Editor" #~ msgstr "Editor de matriu Z" - -#~ msgid "Import Selected Atoms" -#~ msgstr "Importa Àtoms Seleccionats" diff --git a/i18n/cs.po b/i18n/cs.po index 011c992aa0..18fe0c44ee 100644 --- a/i18n/cs.po +++ b/i18n/cs.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-15 02:02+0000\n" +"POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2016-06-29 05:59+0000\n" "Last-Translator: fri \n" "Language-Team: Czech \n" @@ -489,7 +489,7 @@ msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1708 +#: qtgui/elementtranslator.cpp:34:1747 msgid "Carbon" msgstr "Uhlík" @@ -571,13 +571,13 @@ msgstr "Hořčík" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1711 +#: qtgui/elementtranslator.cpp:94:1750 msgid "Iron" msgstr "Železo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1714 +#: qtgui/elementtranslator.cpp:97:1753 msgid "Cobalt" msgstr "Kobalt" @@ -1064,7 +1064,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) -#: qtgui/jsonwidget.cpp:177:627 +#: qtgui/jsonwidget.cpp:177:666 msgid "Title" msgstr "Název" @@ -1255,27 +1255,27 @@ msgstr "" msgid "Warning '%1'" msgstr "" -#: qtgui/pythonscript.cpp:238 +#: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" -#: qtgui/pythonscript.cpp:241 +#: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" -#: qtgui/pythonscript.cpp:244 +#: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" -#: qtgui/pythonscript.cpp:247 +#: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" -#: qtgui/pythonscript.cpp:250 +#: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" -#: qtgui/pythonscript.cpp:254 +#: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" @@ -1306,7 +1306,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1528 +#: qtplugins/selectiontool/selectiontool.cpp:252:1567 #, fuzzy msgid "Change Layer" msgstr "Změnit druh vazby" @@ -1424,17 +1424,17 @@ msgstr "" msgid "Rotate to Standard Orientation" msgstr "Otočit do obvyklého natočení" -#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:55 +#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 #, fuzzy msgid "Reduce to Primitive" msgstr "Zmenšit na základní buňku" -#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:61 -#: qtplugins/spacegroup/spacegroup.cpp:219 +#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 +#: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" msgstr "" -#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:244 +#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 #, fuzzy msgid "Symmetrize Cell" msgstr "Učinit krystal souměrným" @@ -1652,14 +1652,14 @@ msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/openbabel/openbabel.cpp:204 qtplugins/openbabel/openbabel.cpp:213 -#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:360 -#: qtplugins/openbabel/openbabel.cpp:386 qtplugins/openbabel/openbabel.cpp:395 -#: qtplugins/openbabel/openbabel.cpp:449 qtplugins/openbabel/openbabel.cpp:499 -#: qtplugins/openbabel/openbabel.cpp:512 qtplugins/openbabel/openbabel.cpp:537 -#: qtplugins/openbabel/openbabel.cpp:551 qtplugins/openbabel/openbabel.cpp:580 -#: qtplugins/openbabel/openbabel.cpp:592 qtplugins/openbabel/openbabel.cpp:638 -#: qtplugins/openbabel/openbabel.cpp:688 qtplugins/openbabel/openbabel.cpp:730 -#: qtplugins/openbabel/openbabel.cpp:762 +#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:362 +#: qtplugins/openbabel/openbabel.cpp:388 qtplugins/openbabel/openbabel.cpp:397 +#: qtplugins/openbabel/openbabel.cpp:451 qtplugins/openbabel/openbabel.cpp:501 +#: qtplugins/openbabel/openbabel.cpp:514 qtplugins/openbabel/openbabel.cpp:539 +#: qtplugins/openbabel/openbabel.cpp:553 qtplugins/openbabel/openbabel.cpp:582 +#: qtplugins/openbabel/openbabel.cpp:594 qtplugins/openbabel/openbabel.cpp:640 +#: qtplugins/openbabel/openbabel.cpp:690 qtplugins/openbabel/openbabel.cpp:732 +#: qtplugins/openbabel/openbabel.cpp:764 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/quantuminput/quantuminput.cpp:111 msgid "Error" @@ -1743,25 +1743,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:734 +#: qtplugins/surfaces/surfaces.cpp:735 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:736 +#: qtplugins/surfaces/surfaces.cpp:737 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:738 +#: qtplugins/surfaces/surfaces.cpp:739 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:740 +#: qtplugins/surfaces/surfaces.cpp:741 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1769,7 +1769,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:742 +#: qtplugins/surfaces/surfaces.cpp:743 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1777,7 +1777,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:744 +#: qtplugins/surfaces/surfaces.cpp:745 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1785,7 +1785,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:746 +#: qtplugins/surfaces/surfaces.cpp:747 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1793,7 +1793,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:748 +#: qtplugins/surfaces/surfaces.cpp:749 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1801,7 +1801,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:750 +#: qtplugins/surfaces/surfaces.cpp:751 msgctxt "colormap" msgid "Cividis" msgstr "" @@ -1813,7 +1813,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:752:171 rc.cpp:1576 +#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 #, fuzzy #| msgid "Spectra" msgctxt "colormap" @@ -1825,7 +1825,7 @@ msgstr "Spektra" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:754:168 rc.cpp:1573 +#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1835,7 +1835,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:756:162 rc.cpp:1567 +#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1847,7 +1847,7 @@ msgstr "Zrušit" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:758:165 rc.cpp:1570 +#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1859,7 +1859,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1579 +#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1871,7 +1871,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 -#: qtplugins/resetview/resetview.cpp:57 +#: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Zobrazit" @@ -1897,7 +1897,7 @@ msgstr "Vybrané barvy" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1564 +#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 #, fuzzy #| msgid "Color:" msgid "Colormap:" @@ -2042,6 +2042,19 @@ msgstr "&Sestavení" msgid "Bond" msgstr "Vazba" +#: qtplugins/bonding/bonding.cpp:74 +msgid "Remove bonds from all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:76 +msgid "Create bonds between all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:77 +#, fuzzy +msgid "Perceive bond orders." +msgstr "Rozpoznat vazby?" + #: qtplugins/bonding/bonding.h:32 msgid "Bonding" msgstr "" @@ -2186,6 +2199,7 @@ msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 +#: qtplugins/forcefield/forcefield.cpp:126 #: qtplugins/openbabel/openbabel.cpp:107 #: qtplugins/plugindownloader/plugindownloader.cpp:40 #: qtplugins/quantuminput/quantuminput.cpp:69 qtplugins/yaehmop/yaehmop.cpp:112 @@ -2374,7 +2388,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1606 rc.cpp:1633 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 msgid "Custom" msgstr "Vlastní" @@ -2523,6 +2537,7 @@ msgid "Generate input for CP2K." msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 +#: qtplugins/forcefield/forcefield.cpp:83 msgid "Energy" msgstr "Energie" @@ -2560,13 +2575,13 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:680 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:719 msgid "NONE" msgstr "ŽÁDNÝ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1252 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1291 msgid "PME" msgstr "" @@ -2684,7 +2699,7 @@ msgstr "Zmenšit buňku (&titěrná)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "&Crystal" msgstr "Krystal..." @@ -2702,11 +2717,23 @@ msgstr "Přidat &jednotkovou buňku" msgid "Import Crystal from Clipboard" msgstr "Z&avést krystal ze schránky..." -#: qtplugins/crystal/crystal.cpp:193 +#: qtplugins/crystal/crystal.cpp:175 +#, fuzzy +#| msgid "&Keep atoms in unit cell" +msgid "Wrap atoms into the unit cell." +msgstr "&Zachovat atomy v jednotkové buňce" + +#: qtplugins/crystal/crystal.cpp:177 +#, fuzzy +#| msgid "Rotate to Standard Orientation" +msgid "Rotate the unit cell to the standard orientation." +msgstr "Otočit do obvyklého natočení" + +#: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" -#: qtplugins/crystal/crystal.cpp:194 +#: qtplugins/crystal/crystal.cpp:216 #, fuzzy msgid "The unit cell is already reduced." msgstr "" @@ -2718,7 +2745,7 @@ msgstr "" msgid "Crystal" msgstr "Krystal..." -#: qtplugins/crystal/crystal.h:64 +#: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" @@ -2814,7 +2841,7 @@ msgstr "jiné" #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#: qtplugins/editor/editortoolwidget.cpp:208:1585 rc.cpp:1603 +#: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" msgstr "" @@ -2911,6 +2938,104 @@ msgstr "" msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" +#: qtplugins/forcefield/forcefield.cpp:75 +#, fuzzy +#| msgid "Optimization" +msgid "Optimize" +msgstr "Optimalizace" + +#: qtplugins/forcefield/forcefield.cpp:91 +#, fuzzy +msgid "Configure…" +msgstr "Nastavit silové pole..." + +#: qtplugins/forcefield/forcefield.cpp:103 +#, fuzzy +#| msgid "Import Selected Atoms" +msgid "Freeze Selected Atoms" +msgstr "Importovat vybrané atomy" + +#: qtplugins/forcefield/forcefield.cpp:110 +#, fuzzy +#| msgid "Fix Selected Atoms" +msgid "Unfreeze Selected Atoms" +msgstr "Upevnit vybrané atomy" + +#: qtplugins/forcefield/forcefield.cpp:126 +#, fuzzy +#| msgid "Calculate" +msgid "&Calculate" +msgstr "Vypočítat" + +#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/openbabel/openbabel.cpp:525 +#, fuzzy +msgid "Optimize Geometry" +msgstr "&Vyladit uspořádání" + +#: qtplugins/forcefield/forcefield.cpp:328 +#, fuzzy, qt-format +#| msgid "Energy = %L1 %2" +msgid "%1 Energy = %L2" +msgstr "Energie = %L1 %2" + +#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/playertool/playertool.cpp:343 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 +#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/yaehmop/yaehmop.cpp:534 +msgid "Avogadro" +msgstr "Avogadro" + +#: qtplugins/forcefield/forcefield.h:46 +#, fuzzy +#| msgid "Forcefield Optimization" +msgid "Forcefield optimization" +msgstr "Optimalizace silového pole" + +#: qtplugins/forcefield/forcefield.h:50 +#, fuzzy +#| msgid "Forcefield Optimization" +msgid "Forcefield minimization, including scripts" +msgstr "Optimalizace silového pole" + +#: qtplugins/forcefield/forcefielddialog.cpp:119 +#: qtplugins/openbabel/obforcefielddialog.cpp:319 +#, qt-format +msgid "Autodetect (%1)" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:77 +#, fuzzy +#| msgid "Force Field" +msgid "Universal Force Field" +msgstr "Silové pole" + +#: qtplugins/forcefield/obmmenergy.cpp:82 +msgid "Generalized Amber Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:96 +msgid "Merck Molecular Force Field 94" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:238 +#, qt-format +msgid "Error retrieving metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:248 +#, qt-format +msgid "Error parsing metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:256 +#, qt-format +msgid "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" +msgstr "" + #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "&GAMESS" @@ -3072,7 +3197,7 @@ msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:561 +#: qtplugins/insertdna/insertdna.cpp:168:600 msgid "Thymine" msgstr "Thymin" @@ -3080,7 +3205,7 @@ msgstr "Thymin" #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 -#: qtplugins/lineformatinput/lineformatinput.cpp:123:982 +#: qtplugins/lineformatinput/lineformatinput.cpp:123:1021 #, fuzzy #| msgid "Molecule" msgid "Insert Molecule…" @@ -3155,7 +3280,7 @@ msgstr "Vzdálenost" #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1261 +#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" msgstr "Není" @@ -3382,7 +3507,7 @@ msgstr "Měření" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) -#: qtplugins/meshes/meshes.cpp:170:1519 +#: qtplugins/meshes/meshes.cpp:170:1558 msgid "Opacity:" msgstr "Průhlednost" @@ -3403,7 +3528,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:243 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 #, fuzzy msgid "&Analysis" msgstr "Analytická" @@ -3416,7 +3541,7 @@ msgstr "&Vlastnosti" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::MolecularPropertiesDialog) -#: qtplugins/molecularproperties/molecularproperties.h:31:1042 +#: qtplugins/molecularproperties/molecularproperties.h:31:1081 msgid "Molecular Properties" msgstr "Vlastnosti molekul" @@ -3441,7 +3566,7 @@ msgstr "Žádný soubor molekul" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1072 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 #, fuzzy #| msgid "IUPAC Molecule Name:" msgid "Molecule Name:" @@ -3450,7 +3575,7 @@ msgstr "Název molekuly IUPAC:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1048 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1087 #, fuzzy msgid "Molecular Mass (g/mol):" msgstr "Váha molekuly (g/mol):" @@ -3458,21 +3583,21 @@ msgstr "Váha molekuly (g/mol):" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:221 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1054 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1093 msgid "Chemical Formula:" msgstr "Chemický vzorec:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:63 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:223 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1060 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1099 msgid "Number of Atoms:" msgstr "Počet atomů:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_8) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:225 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1066 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1105 msgid "Number of Bonds:" msgstr "Počet vazeb:" @@ -3554,16 +3679,6 @@ msgstr "Vodík" msgid "Chalcogen" msgstr "" -#: qtplugins/openbabel/obforcefielddialog.cpp:319 -#, qt-format -msgid "Autodetect (%1)" -msgstr "" - -#: qtplugins/openbabel/openbabel.cpp:45 qtplugins/openbabel/openbabel.cpp:523 -#, fuzzy -msgid "Optimize Geometry" -msgstr "&Vyladit uspořádání" - #: qtplugins/openbabel/openbabel.cpp:52 #, fuzzy msgid "Configure Force Field…" @@ -3611,43 +3726,43 @@ msgstr "" msgid "Error parsing openbabel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:361 qtplugins/openbabel/openbabel.cpp:396 +#: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:387 +#: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:405 +#: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:430 +#: qtplugins/openbabel/openbabel.cpp:432 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "&Vyladit uspořádání" -#: qtplugins/openbabel/openbabel.cpp:431 +#: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:450 +#: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:456 +#: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:470 qtplugins/openbabel/openbabel.cpp:478 +#: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format msgid "" "Step %1 of %2\n" @@ -3655,108 +3770,108 @@ msgid "" "dE: %4" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:492 +#: qtplugins/openbabel/openbabel.cpp:494 #, fuzzy msgid "Updating molecule…" msgstr "Žádný soubor molekul" -#: qtplugins/openbabel/openbabel.cpp:500 qtplugins/openbabel/openbabel.cpp:581 -#: qtplugins/openbabel/openbabel.cpp:763 +#: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 +#: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:513 qtplugins/openbabel/openbabel.cpp:593 +#: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:532 +#: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:538 +#: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:544 +#: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:545 +#: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:552 +#: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:563 +#: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:573 +#: qtplugins/openbabel/openbabel.cpp:575 #, fuzzy msgid "Updating molecule from Open Babel…" msgstr "Žádný soubor molekul" -#: qtplugins/openbabel/openbabel.cpp:625 qtplugins/openbabel/openbabel.cpp:667 +#: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:630 qtplugins/openbabel/openbabel.cpp:680 +#: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Přidat vodíkové atomy" -#: qtplugins/openbabel/openbabel.cpp:631 +#: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:639 qtplugins/openbabel/openbabel.cpp:689 +#: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:652 qtplugins/openbabel/openbabel.cpp:702 -#: qtplugins/openbabel/openbabel.cpp:744 +#: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 +#: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "Add hydrogens for pH" msgstr "Přidat vodíkové atomy pro pH" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "pH:" msgstr "pH" -#: qtplugins/openbabel/openbabel.cpp:681 qtplugins/openbabel/openbabel.cpp:723 +#: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:717 +#: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:722 +#: qtplugins/openbabel/openbabel.cpp:724 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Odstranit vodíkové atomy" -#: qtplugins/openbabel/openbabel.cpp:731 +#: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:754 +#: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:817 +#: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." @@ -3809,7 +3924,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) -#: qtplugins/openmminput/openmminputdialog.cpp:497:1162 +#: qtplugins/openmminput/openmminputdialog.cpp:497:1201 msgid "input.prmtop" msgstr "" @@ -3839,7 +3954,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 -#: qtplugins/openmminput/openmminputdialog.cpp:1069:1279 rc.cpp:1294 +#: qtplugins/openmminput/openmminputdialog.cpp:1069:1318 rc.cpp:1333 msgid "True" msgstr "" @@ -3885,7 +4000,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1636 +#: qtplugins/playertool/playertool.cpp:113:1675 #, fuzzy msgid "Frame:" msgstr "Snímky" @@ -3919,7 +4034,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:854 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 msgid "GIF (*.gif)" msgstr "" @@ -3936,18 +4051,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "Video soubory (*.avi)" -#: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:882 -#: qtplugins/surfaces/surfaces.cpp:926 qtplugins/surfaces/surfaces.cpp:938 -#: qtplugins/yaehmop/yaehmop.cpp:534 -msgid "Avogadro" -msgstr "Avogadro" - -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:927 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4403,14 +4511,20 @@ msgstr "" msgid "Generate input for quantum codes." msgstr "" -#: qtplugins/resetview/resetview.cpp:37 +#: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" -#: qtplugins/resetview/resetview.cpp:38 +#: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" +#: qtplugins/resetview/resetview.cpp:52 +#, fuzzy +#| msgid "Align Settings" +msgid "Align view to axes." +msgstr "Nastavení zarovnání" + #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" @@ -4557,7 +4671,7 @@ msgstr "Výběr podle zbytku..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1675 +#: qtplugins/select/select.h:30:1714 #, fuzzy msgid "Select" msgstr "&Vybrat" @@ -4609,43 +4723,47 @@ msgstr "" msgid "New Layer" msgstr "Nový štítek:" -#: qtplugins/spacegroup/spacegroup.cpp:49 +#: qtplugins/spacegroup/spacegroup.cpp:50 #, fuzzy msgid "Perceive Space Group…" msgstr "Vnímat prostorovou skupinu" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:67:1660 +#: qtplugins/spacegroup/spacegroup.cpp:68:1699 msgid "Symmetrize" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:72 +#: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Vyplnit jednotkovou buňku" -#: qtplugins/spacegroup/spacegroup.cpp:77 -#: qtplugins/spacegroup/spacegroup.cpp:294 +#: qtplugins/spacegroup/spacegroup.cpp:78 +#: qtplugins/spacegroup/spacegroup.cpp:315 msgid "Reduce to Asymmetric Unit" msgstr "Redukovat na Asymetrickou jednotku" -#: qtplugins/spacegroup/spacegroup.cpp:83 +#: qtplugins/spacegroup/spacegroup.cpp:84 #, fuzzy msgid "Set Tolerance…" msgstr "Tolerance:" -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "Space Group" msgstr "Prostorová &skupina" -#: qtplugins/spacegroup/spacegroup.cpp:178 +#: qtplugins/spacegroup/spacegroup.cpp:112 +msgid "Fill symmetric atoms based on the crystal space group." +msgstr "" + +#: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:179 +#: qtplugins/spacegroup/spacegroup.cpp:200 #, fuzzy msgid "" "Space group perception failed.\n" @@ -4655,61 +4773,61 @@ msgstr "" "\n" "Chtěl byste to zkusit znovu s jinou povolenou odchylkou?" -#: qtplugins/spacegroup/spacegroup.cpp:194 +#: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:195 -#: qtplugins/spacegroup/spacegroup.cpp:220 -#: qtplugins/spacegroup/spacegroup.cpp:245 +#: qtplugins/spacegroup/spacegroup.cpp:216 +#: qtplugins/spacegroup/spacegroup.cpp:241 +#: qtplugins/spacegroup/spacegroup.cpp:266 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:208 +#: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:233 +#: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:257 +#: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:315 qtplugins/yaehmop/yaehmop.cpp:209 +#: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro" -#: qtplugins/spacegroup/spacegroup.cpp:316 +#: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" msgstr "Mezinárodní" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hall" msgstr "Hall" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" -#: qtplugins/spacegroup/spacegroup.cpp:345 +#: qtplugins/spacegroup/spacegroup.cpp:366 #, fuzzy msgid "Select Space Group" msgstr "Vybrat prostorovou grupu" @@ -4719,7 +4837,7 @@ msgstr "Vybrat prostorovou grupu" msgid "SpaceGroup" msgstr "Prostorová &skupina" -#: qtplugins/spacegroup/spacegroup.h:65 +#: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" @@ -4841,31 +4959,31 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:567 +#: qtplugins/surfaces/surfaces.cpp:568 #, fuzzy msgid "Calculating electron density" msgstr "Počítá se elektronová hustotu" -#: qtplugins/surfaces/surfaces.cpp:576 +#: qtplugins/surfaces/surfaces.cpp:577 #, fuzzy msgid "Calculating spin density" msgstr "Počítá se elektronová hustotu" -#: qtplugins/surfaces/surfaces.cpp:585 +#: qtplugins/surfaces/surfaces.cpp:586 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:831 qtplugins/surfaces/surfaces.cpp:859 +#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:833 +#: qtplugins/surfaces/surfaces.cpp:834 #, fuzzy msgid "Export Movie" msgstr "Vy&vést obrázek do souboru" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:835 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4905,7 +5023,7 @@ msgstr "Souměrnost" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1645 +#: qtplugins/symmetry/symmetry.h:34:1684 msgid "Symmetry" msgstr "Souměrnost" @@ -5747,6 +5865,85 @@ msgstr "Prvek:" msgid "Bond Order:" msgstr "Druh vazby:" +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) +msgid "Geometry Optimization Parameters" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +msgid "Convergence Criteria" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label_2) +msgid "Energy convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 +#. i18n: ectx: property (text), widget (QLabel, label_5) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 +#. i18n: ectx: property (text), widget (QLabel, label_5) +msgid "Step limit:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 +#. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +msgid " units" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 +#. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +msgid "10^" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 +#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +msgid " steps" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QLabel, label_4) +msgid "Gradient convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +msgid "Optimization Method" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 +#. i18n: ectx: property (text), widget (QLabel, label) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Force field:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +msgid "Autodetect" +msgstr "" + #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" @@ -6584,21 +6781,6 @@ msgstr "Uspořádání" msgid "TODO" msgstr "Seznam úkolů" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) -msgid "Geometry Optimization Parameters" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) -msgid "Optimization Method" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Force field:" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" @@ -6629,11 +6811,6 @@ msgstr "" msgid "Newton's Method" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 -#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) -msgid "Autodetect" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" @@ -6661,38 +6838,11 @@ msgstr "" msgid "Å" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 -#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 -#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) -msgid " steps" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) -msgid "Convergence Criteria" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 -#. i18n: ectx: property (text), widget (QLabel, label_5) -msgid "Step limit:" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 -#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) -msgid " units" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 -#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) -msgid "10^" -msgstr "" - #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" @@ -8535,15 +8685,9 @@ msgstr "" #~ "Pro tuto molekulu nelze ustavit nyní vybrané silové pole. Přepíná se na " #~ "UFF." -#~ msgid "Energy = %L1 %2" -#~ msgstr "Energie = %L1 %2" - #~ msgid "Geometric Optimization" #~ msgstr "Optimalizace uspořádání" -#~ msgid "Forcefield Optimization" -#~ msgstr "Optimalizace silového pole" - #~ msgid "Systematic Rotor Search" #~ msgstr "Soustavné hledání bodu otáčení" @@ -10256,9 +10400,6 @@ msgstr "" #~ msgid "&Translate" #~ msgstr "&Posunout souřadnice" -#~ msgid "&Keep atoms in unit cell" -#~ msgstr "&Zachovat atomy v jednotkové buňce" - #~ msgid "Crystal View Options" #~ msgstr "Volby pro pohled na krystal" @@ -10307,9 +10448,6 @@ msgstr "" #~ msgid "Setup Force Field" #~ msgstr "Nastavit silové pole" -#~ msgid "Force Field" -#~ msgstr "Silové pole" - #~ msgid "Ghemical" #~ msgstr "Ghemical" @@ -11355,9 +11493,6 @@ msgstr "" #~ msgid "Gradient" #~ msgstr "Přechod" -#~ msgid "Optimization" -#~ msgstr "Optimalizace" - #~ msgid "Trudge" #~ msgstr "Namáhavá cesta" @@ -12383,6 +12518,3 @@ msgstr "" #~ msgid "Z Matrix Editor" #~ msgstr "Editor matice Z" - -#~ msgid "Import Selected Atoms" -#~ msgstr "Importovat vybrané atomy" diff --git a/i18n/da.po b/i18n/da.po index 9d17fb46f6..2306896594 100644 --- a/i18n/da.po +++ b/i18n/da.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-15 02:02+0000\n" +"POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2016-06-10 06:28+0000\n" "Last-Translator: jvd \n" "Language-Team: Danish \n" @@ -487,7 +487,7 @@ msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1708 +#: qtgui/elementtranslator.cpp:34:1747 msgid "Carbon" msgstr "Kulstof" @@ -569,13 +569,13 @@ msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1711 +#: qtgui/elementtranslator.cpp:94:1750 msgid "Iron" msgstr "Jern" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1714 +#: qtgui/elementtranslator.cpp:97:1753 msgid "Cobalt" msgstr "Kobolt" @@ -1062,7 +1062,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) -#: qtgui/jsonwidget.cpp:177:627 +#: qtgui/jsonwidget.cpp:177:666 msgid "Title" msgstr "Titel" @@ -1250,27 +1250,27 @@ msgstr "" msgid "Warning '%1'" msgstr "" -#: qtgui/pythonscript.cpp:238 +#: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" -#: qtgui/pythonscript.cpp:241 +#: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" -#: qtgui/pythonscript.cpp:244 +#: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" -#: qtgui/pythonscript.cpp:247 +#: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" -#: qtgui/pythonscript.cpp:250 +#: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" -#: qtgui/pythonscript.cpp:254 +#: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" @@ -1301,7 +1301,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1528 +#: qtplugins/selectiontool/selectiontool.cpp:252:1567 #, fuzzy msgid "Change Layer" msgstr "Ændr bindingsorden" @@ -1419,17 +1419,17 @@ msgstr "" msgid "Rotate to Standard Orientation" msgstr "" -#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:55 +#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 #, fuzzy msgid "Reduce to Primitive" msgstr "Reducer celle (&primitiv)" -#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:61 -#: qtplugins/spacegroup/spacegroup.cpp:219 +#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 +#: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" msgstr "" -#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:244 +#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 #, fuzzy msgid "Symmetrize Cell" msgstr "Supercelle" @@ -1635,14 +1635,14 @@ msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/openbabel/openbabel.cpp:204 qtplugins/openbabel/openbabel.cpp:213 -#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:360 -#: qtplugins/openbabel/openbabel.cpp:386 qtplugins/openbabel/openbabel.cpp:395 -#: qtplugins/openbabel/openbabel.cpp:449 qtplugins/openbabel/openbabel.cpp:499 -#: qtplugins/openbabel/openbabel.cpp:512 qtplugins/openbabel/openbabel.cpp:537 -#: qtplugins/openbabel/openbabel.cpp:551 qtplugins/openbabel/openbabel.cpp:580 -#: qtplugins/openbabel/openbabel.cpp:592 qtplugins/openbabel/openbabel.cpp:638 -#: qtplugins/openbabel/openbabel.cpp:688 qtplugins/openbabel/openbabel.cpp:730 -#: qtplugins/openbabel/openbabel.cpp:762 +#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:362 +#: qtplugins/openbabel/openbabel.cpp:388 qtplugins/openbabel/openbabel.cpp:397 +#: qtplugins/openbabel/openbabel.cpp:451 qtplugins/openbabel/openbabel.cpp:501 +#: qtplugins/openbabel/openbabel.cpp:514 qtplugins/openbabel/openbabel.cpp:539 +#: qtplugins/openbabel/openbabel.cpp:553 qtplugins/openbabel/openbabel.cpp:582 +#: qtplugins/openbabel/openbabel.cpp:594 qtplugins/openbabel/openbabel.cpp:640 +#: qtplugins/openbabel/openbabel.cpp:690 qtplugins/openbabel/openbabel.cpp:732 +#: qtplugins/openbabel/openbabel.cpp:764 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/quantuminput/quantuminput.cpp:111 msgid "Error" @@ -1724,25 +1724,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:734 +#: qtplugins/surfaces/surfaces.cpp:735 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:736 +#: qtplugins/surfaces/surfaces.cpp:737 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:738 +#: qtplugins/surfaces/surfaces.cpp:739 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:740 +#: qtplugins/surfaces/surfaces.cpp:741 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1750,7 +1750,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:742 +#: qtplugins/surfaces/surfaces.cpp:743 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1758,7 +1758,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:744 +#: qtplugins/surfaces/surfaces.cpp:745 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1766,7 +1766,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:746 +#: qtplugins/surfaces/surfaces.cpp:747 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1774,7 +1774,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:748 +#: qtplugins/surfaces/surfaces.cpp:749 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1782,7 +1782,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:750 +#: qtplugins/surfaces/surfaces.cpp:751 msgctxt "colormap" msgid "Cividis" msgstr "" @@ -1794,7 +1794,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:752:171 rc.cpp:1576 +#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 #, fuzzy #| msgid "Spectra" msgctxt "colormap" @@ -1806,7 +1806,7 @@ msgstr "Spektre" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:754:168 rc.cpp:1573 +#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1816,7 +1816,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:756:162 rc.cpp:1567 +#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1828,7 +1828,7 @@ msgstr "Annullér" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:758:165 rc.cpp:1570 +#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1840,7 +1840,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1579 +#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1852,7 +1852,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 -#: qtplugins/resetview/resetview.cpp:57 +#: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Vis" @@ -1878,7 +1878,7 @@ msgstr "Valgte farver" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1564 +#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 #, fuzzy msgid "Colormap:" msgstr "Farver:" @@ -1997,6 +1997,19 @@ msgstr "&Byg" msgid "Bond" msgstr "Binding" +#: qtplugins/bonding/bonding.cpp:74 +msgid "Remove bonds from all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:76 +msgid "Create bonds between all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:77 +#, fuzzy +msgid "Perceive bond orders." +msgstr "Fjern brintatomer" + #: qtplugins/bonding/bonding.h:32 msgid "Bonding" msgstr "" @@ -2139,6 +2152,7 @@ msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 +#: qtplugins/forcefield/forcefield.cpp:126 #: qtplugins/openbabel/openbabel.cpp:107 #: qtplugins/plugindownloader/plugindownloader.cpp:40 #: qtplugins/quantuminput/quantuminput.cpp:69 qtplugins/yaehmop/yaehmop.cpp:112 @@ -2323,7 +2337,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1606 rc.cpp:1633 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 msgid "Custom" msgstr "" @@ -2468,6 +2482,7 @@ msgid "Generate input for CP2K." msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 +#: qtplugins/forcefield/forcefield.cpp:83 msgid "Energy" msgstr "Energi" @@ -2505,13 +2520,13 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:680 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:719 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1252 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1291 msgid "PME" msgstr "" @@ -2629,7 +2644,7 @@ msgstr "Reducer celle (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "&Crystal" msgstr "Krystallografi" @@ -2647,11 +2662,21 @@ msgstr "Tilføj &enhedscelle" msgid "Import Crystal from Clipboard" msgstr "I&mporter krystal fra udklipsholder..." -#: qtplugins/crystal/crystal.cpp:193 +#: qtplugins/crystal/crystal.cpp:175 +#, fuzzy +msgid "Wrap atoms into the unit cell." +msgstr "&Fold atomer til celle" + +#: qtplugins/crystal/crystal.cpp:177 +#, fuzzy +msgid "Rotate the unit cell to the standard orientation." +msgstr "Roter til standard&orientering" + +#: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" -#: qtplugins/crystal/crystal.cpp:194 +#: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" @@ -2660,7 +2685,7 @@ msgstr "" msgid "Crystal" msgstr "Indsæt krystal" -#: qtplugins/crystal/crystal.h:64 +#: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" @@ -2746,7 +2771,7 @@ msgstr "Andet..." #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#: qtplugins/editor/editortoolwidget.cpp:208:1585 rc.cpp:1603 +#: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" msgstr "" @@ -2842,6 +2867,102 @@ msgstr "" msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" +#: qtplugins/forcefield/forcefield.cpp:75 +#, fuzzy +msgid "Optimize" +msgstr "&Optimer geometri" + +#: qtplugins/forcefield/forcefield.cpp:91 +#, fuzzy +msgid "Configure…" +msgstr "Indstil kraftfelt" + +#: qtplugins/forcefield/forcefield.cpp:103 +#, fuzzy +#| msgid "Import Selected Atoms" +msgid "Freeze Selected Atoms" +msgstr "Importer valgte atomer" + +#: qtplugins/forcefield/forcefield.cpp:110 +#, fuzzy +#| msgid "Fix Selected Atoms" +msgid "Unfreeze Selected Atoms" +msgstr "Ret valgte atomer" + +#: qtplugins/forcefield/forcefield.cpp:126 +#, fuzzy +#| msgid "Calculate Energy" +msgid "&Calculate" +msgstr "Udregn energi" + +#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/openbabel/openbabel.cpp:525 +#, fuzzy +msgid "Optimize Geometry" +msgstr "&Optimer geometri" + +#: qtplugins/forcefield/forcefield.cpp:328 +#, fuzzy, qt-format +#| msgid "Energy = %L1 %2" +msgid "%1 Energy = %L2" +msgstr "Energi = %L1 %2" + +#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/playertool/playertool.cpp:343 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 +#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/yaehmop/yaehmop.cpp:534 +msgid "Avogadro" +msgstr "Avogadro" + +#: qtplugins/forcefield/forcefield.h:46 +#, fuzzy +#| msgid "Forcefield Optimization" +msgid "Forcefield optimization" +msgstr "Kraftfelt Optimering" + +#: qtplugins/forcefield/forcefield.h:50 +#, fuzzy +#| msgid "Forcefield Optimization" +msgid "Forcefield minimization, including scripts" +msgstr "Kraftfelt Optimering" + +#: qtplugins/forcefield/forcefielddialog.cpp:119 +#: qtplugins/openbabel/obforcefielddialog.cpp:319 +#, qt-format +msgid "Autodetect (%1)" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:77 +#, fuzzy +msgid "Universal Force Field" +msgstr "Indstil kraftfelt" + +#: qtplugins/forcefield/obmmenergy.cpp:82 +msgid "Generalized Amber Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:96 +msgid "Merck Molecular Force Field 94" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:238 +#, qt-format +msgid "Error retrieving metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:248 +#, qt-format +msgid "Error parsing metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:256 +#, qt-format +msgid "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" +msgstr "" + #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" @@ -3003,7 +3124,7 @@ msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:561 +#: qtplugins/insertdna/insertdna.cpp:168:600 msgid "Thymine" msgstr "" @@ -3011,7 +3132,7 @@ msgstr "" #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 -#: qtplugins/lineformatinput/lineformatinput.cpp:123:982 +#: qtplugins/lineformatinput/lineformatinput.cpp:123:1021 #, fuzzy #| msgid "Molecule" msgid "Insert Molecule…" @@ -3087,7 +3208,7 @@ msgstr "Afstand" #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1261 +#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" msgstr "Ingen" @@ -3280,7 +3401,7 @@ msgstr "Mål" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) -#: qtplugins/meshes/meshes.cpp:170:1519 +#: qtplugins/meshes/meshes.cpp:170:1558 msgid "Opacity:" msgstr "" @@ -3300,7 +3421,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:243 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3312,7 +3433,7 @@ msgstr "&Egenskaber" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::MolecularPropertiesDialog) -#: qtplugins/molecularproperties/molecularproperties.h:31:1042 +#: qtplugins/molecularproperties/molecularproperties.h:31:1081 msgid "Molecular Properties" msgstr "Molekylære egenskaber" @@ -3336,7 +3457,7 @@ msgstr "Intet molekylesæt" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1072 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 #, fuzzy #| msgid "Molecule" msgid "Molecule Name:" @@ -3345,28 +3466,28 @@ msgstr "Molekyle" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1048 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1087 msgid "Molecular Mass (g/mol):" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:221 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1054 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1093 msgid "Chemical Formula:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:63 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:223 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1060 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1099 msgid "Number of Atoms:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_8) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:225 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1066 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1105 msgid "Number of Bonds:" msgstr "" @@ -3436,16 +3557,6 @@ msgstr "Hydrogen" msgid "Chalcogen" msgstr "" -#: qtplugins/openbabel/obforcefielddialog.cpp:319 -#, qt-format -msgid "Autodetect (%1)" -msgstr "" - -#: qtplugins/openbabel/openbabel.cpp:45 qtplugins/openbabel/openbabel.cpp:523 -#, fuzzy -msgid "Optimize Geometry" -msgstr "&Optimer geometri" - #: qtplugins/openbabel/openbabel.cpp:52 #, fuzzy msgid "Configure Force Field…" @@ -3493,43 +3604,43 @@ msgstr "" msgid "Error parsing openbabel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:361 qtplugins/openbabel/openbabel.cpp:396 +#: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:387 +#: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:405 +#: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:430 +#: qtplugins/openbabel/openbabel.cpp:432 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "&Optimer geometri" -#: qtplugins/openbabel/openbabel.cpp:431 +#: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:450 +#: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:456 +#: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:470 qtplugins/openbabel/openbabel.cpp:478 +#: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format msgid "" "Step %1 of %2\n" @@ -3537,108 +3648,108 @@ msgid "" "dE: %4" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:492 +#: qtplugins/openbabel/openbabel.cpp:494 #, fuzzy msgid "Updating molecule…" msgstr "Intet molekylesæt" -#: qtplugins/openbabel/openbabel.cpp:500 qtplugins/openbabel/openbabel.cpp:581 -#: qtplugins/openbabel/openbabel.cpp:763 +#: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 +#: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:513 qtplugins/openbabel/openbabel.cpp:593 +#: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:532 +#: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:538 +#: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:544 +#: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:545 +#: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:552 +#: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:563 +#: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:573 +#: qtplugins/openbabel/openbabel.cpp:575 #, fuzzy msgid "Updating molecule from Open Babel…" msgstr "Intet molekylesæt" -#: qtplugins/openbabel/openbabel.cpp:625 qtplugins/openbabel/openbabel.cpp:667 +#: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:630 qtplugins/openbabel/openbabel.cpp:680 +#: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Tilføj brintatomer" -#: qtplugins/openbabel/openbabel.cpp:631 +#: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:639 qtplugins/openbabel/openbabel.cpp:689 +#: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:652 qtplugins/openbabel/openbabel.cpp:702 -#: qtplugins/openbabel/openbabel.cpp:744 +#: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 +#: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "Add hydrogens for pH" msgstr "Til hydrogen til pH" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "pH:" msgstr "pH" -#: qtplugins/openbabel/openbabel.cpp:681 qtplugins/openbabel/openbabel.cpp:723 +#: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:717 +#: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:722 +#: qtplugins/openbabel/openbabel.cpp:724 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Fjern brintatomer" -#: qtplugins/openbabel/openbabel.cpp:731 +#: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:754 +#: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:817 +#: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." @@ -3691,7 +3802,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) -#: qtplugins/openmminput/openmminputdialog.cpp:497:1162 +#: qtplugins/openmminput/openmminputdialog.cpp:497:1201 msgid "input.prmtop" msgstr "" @@ -3721,7 +3832,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 -#: qtplugins/openmminput/openmminputdialog.cpp:1069:1279 rc.cpp:1294 +#: qtplugins/openmminput/openmminputdialog.cpp:1069:1318 rc.cpp:1333 msgid "True" msgstr "" @@ -3766,7 +3877,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1636 +#: qtplugins/playertool/playertool.cpp:113:1675 #, fuzzy msgid "Frame:" msgstr "Filnavn:" @@ -3799,7 +3910,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:854 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 msgid "GIF (*.gif)" msgstr "" @@ -3816,18 +3927,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "video file (*.avi)" -#: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:882 -#: qtplugins/surfaces/surfaces.cpp:926 qtplugins/surfaces/surfaces.cpp:938 -#: qtplugins/yaehmop/yaehmop.cpp:534 -msgid "Avogadro" -msgstr "Avogadro" - -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:927 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4278,14 +4382,18 @@ msgstr "" msgid "Generate input for quantum codes." msgstr "" -#: qtplugins/resetview/resetview.cpp:37 +#: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" -#: qtplugins/resetview/resetview.cpp:38 +#: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" +#: qtplugins/resetview/resetview.cpp:52 +msgid "Align view to axes." +msgstr "" + #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" @@ -4430,7 +4538,7 @@ msgstr "Vælg efter rest..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1675 +#: qtplugins/select/select.h:30:1714 #, fuzzy msgid "Select" msgstr "&Vælg" @@ -4465,100 +4573,104 @@ msgstr "" msgid "New Layer" msgstr "Fjern brintatomer" -#: qtplugins/spacegroup/spacegroup.cpp:49 +#: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:67:1660 +#: qtplugins/spacegroup/spacegroup.cpp:68:1699 msgid "Symmetrize" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:72 +#: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Fyld enhedscelle" -#: qtplugins/spacegroup/spacegroup.cpp:77 -#: qtplugins/spacegroup/spacegroup.cpp:294 +#: qtplugins/spacegroup/spacegroup.cpp:78 +#: qtplugins/spacegroup/spacegroup.cpp:315 msgid "Reduce to Asymmetric Unit" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:83 +#: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:178 +#: qtplugins/spacegroup/spacegroup.cpp:112 +msgid "Fill symmetric atoms based on the crystal space group." +msgstr "" + +#: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:179 +#: qtplugins/spacegroup/spacegroup.cpp:200 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:194 +#: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:195 -#: qtplugins/spacegroup/spacegroup.cpp:220 -#: qtplugins/spacegroup/spacegroup.cpp:245 +#: qtplugins/spacegroup/spacegroup.cpp:216 +#: qtplugins/spacegroup/spacegroup.cpp:241 +#: qtplugins/spacegroup/spacegroup.cpp:266 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:208 +#: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:233 +#: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:257 +#: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:315 qtplugins/yaehmop/yaehmop.cpp:209 +#: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro" -#: qtplugins/spacegroup/spacegroup.cpp:316 +#: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hall" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hermann-Mauguin" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:345 +#: qtplugins/spacegroup/spacegroup.cpp:366 msgid "Select Space Group" msgstr "" @@ -4566,7 +4678,7 @@ msgstr "" msgid "SpaceGroup" msgstr "" -#: qtplugins/spacegroup/spacegroup.h:65 +#: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" @@ -4687,31 +4799,31 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:567 +#: qtplugins/surfaces/surfaces.cpp:568 #, fuzzy msgid "Calculating electron density" msgstr "Udregner elektrontæthed" -#: qtplugins/surfaces/surfaces.cpp:576 +#: qtplugins/surfaces/surfaces.cpp:577 #, fuzzy msgid "Calculating spin density" msgstr "Udregner elektrontæthed" -#: qtplugins/surfaces/surfaces.cpp:585 +#: qtplugins/surfaces/surfaces.cpp:586 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:831 qtplugins/surfaces/surfaces.cpp:859 +#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:833 +#: qtplugins/surfaces/surfaces.cpp:834 #, fuzzy msgid "Export Movie" msgstr "E&xporter billede" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:835 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4749,7 +4861,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1645 +#: qtplugins/symmetry/symmetry.h:34:1684 msgid "Symmetry" msgstr "" @@ -5583,6 +5695,85 @@ msgstr "Element:" msgid "Bond Order:" msgstr "Bindingsorden:" +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) +msgid "Geometry Optimization Parameters" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +msgid "Convergence Criteria" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label_2) +msgid "Energy convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 +#. i18n: ectx: property (text), widget (QLabel, label_5) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 +#. i18n: ectx: property (text), widget (QLabel, label_5) +msgid "Step limit:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 +#. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +msgid " units" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 +#. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +msgid "10^" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 +#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +msgid " steps" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QLabel, label_4) +msgid "Gradient convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +msgid "Optimization Method" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 +#. i18n: ectx: property (text), widget (QLabel, label) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Force field:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +msgid "Autodetect" +msgstr "" + #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" @@ -6396,21 +6587,6 @@ msgstr "&Optimer geometri" msgid "TODO" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) -msgid "Geometry Optimization Parameters" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) -msgid "Optimization Method" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Force field:" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" @@ -6441,11 +6617,6 @@ msgstr "" msgid "Newton's Method" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 -#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) -msgid "Autodetect" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" @@ -6473,38 +6644,11 @@ msgstr "" msgid "Å" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 -#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 -#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) -msgid " steps" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) -msgid "Convergence Criteria" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 -#. i18n: ectx: property (text), widget (QLabel, label_5) -msgid "Step limit:" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 -#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) -msgid " units" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 -#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) -msgid "10^" -msgstr "" - #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" @@ -8047,21 +8191,12 @@ msgstr "" #~ msgid "Import trajectory files" #~ msgstr "Importer banefil" -#~ msgid "Calculate Energy" -#~ msgstr "Udregn energi" - #~ msgid "Conformer Search..." #~ msgstr "Søg efter konformationer" #~ msgid "Constraints..." #~ msgstr "Afhængigheder" -#~ msgid "Energy = %L1 %2" -#~ msgstr "Energi = %L1 %2" - -#~ msgid "Forcefield Optimization" -#~ msgstr "Kraftfelt Optimering" - #~ msgid "Systematic Rotor Search" #~ msgstr "Systematisk rotor søgning" @@ -8989,6 +9124,3 @@ msgstr "" #~ msgid "Z Matrix Editor" #~ msgstr "Z-matrix-editor" - -#~ msgid "Import Selected Atoms" -#~ msgstr "Importer valgte atomer" diff --git a/i18n/de.po b/i18n/de.po index 75a6a7bf10..6ef51a048d 100644 --- a/i18n/de.po +++ b/i18n/de.po @@ -11,7 +11,7 @@ msgid "" msgstr "" "Project-Id-Version: _avogadro-de\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-15 02:02+0000\n" +"POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-08-17 15:50+0000\n" "Last-Translator: Norwid Behrnd \n" "Language-Team: German \n" "Language-Team: Greek \n" "Language-Team: English (Australia) \n" "Language-Team: English (Canada) \n" "Language-Team: English (United Kingdom) \n" "Language-Team: Esperanto \n" "Language-Team: Spanish \n" "Language-Team: Estonian \n" @@ -487,7 +487,7 @@ msgstr "Boor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1708 +#: qtgui/elementtranslator.cpp:34:1747 msgid "Carbon" msgstr "Süsinik" @@ -569,13 +569,13 @@ msgstr "Mangaan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1711 +#: qtgui/elementtranslator.cpp:94:1750 msgid "Iron" msgstr "Raud" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1714 +#: qtgui/elementtranslator.cpp:97:1753 msgid "Cobalt" msgstr "Koobalt" @@ -1059,7 +1059,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) -#: qtgui/jsonwidget.cpp:177:627 +#: qtgui/jsonwidget.cpp:177:666 msgid "Title" msgstr "" @@ -1242,27 +1242,27 @@ msgstr "" msgid "Warning '%1'" msgstr "" -#: qtgui/pythonscript.cpp:238 +#: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" -#: qtgui/pythonscript.cpp:241 +#: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" -#: qtgui/pythonscript.cpp:244 +#: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" -#: qtgui/pythonscript.cpp:247 +#: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" -#: qtgui/pythonscript.cpp:250 +#: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" -#: qtgui/pythonscript.cpp:254 +#: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" @@ -1293,7 +1293,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1528 +#: qtplugins/selectiontool/selectiontool.cpp:252:1567 msgid "Change Layer" msgstr "" @@ -1402,16 +1402,16 @@ msgstr "" msgid "Rotate to Standard Orientation" msgstr "" -#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:55 +#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" -#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:61 -#: qtplugins/spacegroup/spacegroup.cpp:219 +#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 +#: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" msgstr "" -#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:244 +#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 msgid "Symmetrize Cell" msgstr "" @@ -1607,14 +1607,14 @@ msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/openbabel/openbabel.cpp:204 qtplugins/openbabel/openbabel.cpp:213 -#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:360 -#: qtplugins/openbabel/openbabel.cpp:386 qtplugins/openbabel/openbabel.cpp:395 -#: qtplugins/openbabel/openbabel.cpp:449 qtplugins/openbabel/openbabel.cpp:499 -#: qtplugins/openbabel/openbabel.cpp:512 qtplugins/openbabel/openbabel.cpp:537 -#: qtplugins/openbabel/openbabel.cpp:551 qtplugins/openbabel/openbabel.cpp:580 -#: qtplugins/openbabel/openbabel.cpp:592 qtplugins/openbabel/openbabel.cpp:638 -#: qtplugins/openbabel/openbabel.cpp:688 qtplugins/openbabel/openbabel.cpp:730 -#: qtplugins/openbabel/openbabel.cpp:762 +#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:362 +#: qtplugins/openbabel/openbabel.cpp:388 qtplugins/openbabel/openbabel.cpp:397 +#: qtplugins/openbabel/openbabel.cpp:451 qtplugins/openbabel/openbabel.cpp:501 +#: qtplugins/openbabel/openbabel.cpp:514 qtplugins/openbabel/openbabel.cpp:539 +#: qtplugins/openbabel/openbabel.cpp:553 qtplugins/openbabel/openbabel.cpp:582 +#: qtplugins/openbabel/openbabel.cpp:594 qtplugins/openbabel/openbabel.cpp:640 +#: qtplugins/openbabel/openbabel.cpp:690 qtplugins/openbabel/openbabel.cpp:732 +#: qtplugins/openbabel/openbabel.cpp:764 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/quantuminput/quantuminput.cpp:111 msgid "Error" @@ -1696,25 +1696,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:734 +#: qtplugins/surfaces/surfaces.cpp:735 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:736 +#: qtplugins/surfaces/surfaces.cpp:737 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:738 +#: qtplugins/surfaces/surfaces.cpp:739 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:740 +#: qtplugins/surfaces/surfaces.cpp:741 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1722,7 +1722,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:742 +#: qtplugins/surfaces/surfaces.cpp:743 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1730,7 +1730,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:744 +#: qtplugins/surfaces/surfaces.cpp:745 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1738,7 +1738,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:746 +#: qtplugins/surfaces/surfaces.cpp:747 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1746,7 +1746,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:748 +#: qtplugins/surfaces/surfaces.cpp:749 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1754,7 +1754,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:750 +#: qtplugins/surfaces/surfaces.cpp:751 msgctxt "colormap" msgid "Cividis" msgstr "" @@ -1766,7 +1766,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:752:171 rc.cpp:1576 +#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" @@ -1776,7 +1776,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:754:168 rc.cpp:1573 +#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1786,7 +1786,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:756:162 rc.cpp:1567 +#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" @@ -1796,7 +1796,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:758:165 rc.cpp:1570 +#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1808,7 +1808,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1579 +#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1820,7 +1820,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 -#: qtplugins/resetview/resetview.cpp:57 +#: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "" @@ -1843,7 +1843,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1564 +#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 #, fuzzy msgid "Colormap:" msgstr "Kohandatud värv:" @@ -1957,6 +1957,19 @@ msgstr "" msgid "Bond" msgstr "" +#: qtplugins/bonding/bonding.cpp:74 +msgid "Remove bonds from all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:76 +msgid "Create bonds between all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:77 +#, fuzzy +msgid "Perceive bond orders." +msgstr "Eemalda aatom" + #: qtplugins/bonding/bonding.h:32 msgid "Bonding" msgstr "" @@ -2090,6 +2103,7 @@ msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 +#: qtplugins/forcefield/forcefield.cpp:126 #: qtplugins/openbabel/openbabel.cpp:107 #: qtplugins/plugindownloader/plugindownloader.cpp:40 #: qtplugins/quantuminput/quantuminput.cpp:69 qtplugins/yaehmop/yaehmop.cpp:112 @@ -2270,7 +2284,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1606 rc.cpp:1633 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 msgid "Custom" msgstr "" @@ -2414,6 +2428,7 @@ msgid "Generate input for CP2K." msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 +#: qtplugins/forcefield/forcefield.cpp:83 msgid "Energy" msgstr "Energia" @@ -2451,13 +2466,13 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:680 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:719 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1252 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1291 msgid "PME" msgstr "" @@ -2567,7 +2582,7 @@ msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" @@ -2583,11 +2598,19 @@ msgstr "" msgid "Import Crystal from Clipboard" msgstr "" -#: qtplugins/crystal/crystal.cpp:193 +#: qtplugins/crystal/crystal.cpp:175 +msgid "Wrap atoms into the unit cell." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:177 +msgid "Rotate the unit cell to the standard orientation." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" -#: qtplugins/crystal/crystal.cpp:194 +#: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" @@ -2595,7 +2618,7 @@ msgstr "" msgid "Crystal" msgstr "" -#: qtplugins/crystal/crystal.h:64 +#: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" @@ -2679,7 +2702,7 @@ msgstr "" #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#: qtplugins/editor/editortoolwidget.cpp:208:1585 rc.cpp:1603 +#: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" msgstr "" @@ -2770,6 +2793,95 @@ msgstr "" msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" +#: qtplugins/forcefield/forcefield.cpp:75 +msgid "Optimize" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:91 +msgid "Configure…" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:103 +#, fuzzy +#| msgid "Import Selected Atoms" +msgid "Freeze Selected Atoms" +msgstr "Impordi valitud aatomid" + +#: qtplugins/forcefield/forcefield.cpp:110 +#, fuzzy +#| msgid "Import Selected Atoms" +msgid "Unfreeze Selected Atoms" +msgstr "Impordi valitud aatomid" + +#: qtplugins/forcefield/forcefield.cpp:126 +#, fuzzy +#| msgid "Calculate" +msgid "&Calculate" +msgstr "Arvuta" + +#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/openbabel/openbabel.cpp:525 +msgid "Optimize Geometry" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:328 +#, fuzzy, qt-format +#| msgid "Energy = %L1 %2" +msgid "%1 Energy = %L2" +msgstr "Energia = %L1 %2" + +#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/playertool/playertool.cpp:343 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 +#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/yaehmop/yaehmop.cpp:534 +msgid "Avogadro" +msgstr "Avogadro" + +#: qtplugins/forcefield/forcefield.h:46 +#, fuzzy +msgid "Forcefield optimization" +msgstr "Geomeetriline optimeerimine" + +#: qtplugins/forcefield/forcefield.h:50 +msgid "Forcefield minimization, including scripts" +msgstr "" + +#: qtplugins/forcefield/forcefielddialog.cpp:119 +#: qtplugins/openbabel/obforcefielddialog.cpp:319 +#, qt-format +msgid "Autodetect (%1)" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:77 +msgid "Universal Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:82 +msgid "Generalized Amber Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:96 +msgid "Merck Molecular Force Field 94" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:238 +#, qt-format +msgid "Error retrieving metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:248 +#, qt-format +msgid "Error parsing metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:256 +#, qt-format +msgid "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" +msgstr "" + #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" @@ -2923,7 +3035,7 @@ msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:561 +#: qtplugins/insertdna/insertdna.cpp:168:600 msgid "Thymine" msgstr "" @@ -2931,7 +3043,7 @@ msgstr "" #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 -#: qtplugins/lineformatinput/lineformatinput.cpp:123:982 +#: qtplugins/lineformatinput/lineformatinput.cpp:123:1021 msgid "Insert Molecule…" msgstr "" @@ -2998,7 +3110,7 @@ msgstr "Värv kauguse järgi" #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1261 +#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" msgstr "" @@ -3183,7 +3295,7 @@ msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) -#: qtplugins/meshes/meshes.cpp:170:1519 +#: qtplugins/meshes/meshes.cpp:170:1558 msgid "Opacity:" msgstr "" @@ -3203,7 +3315,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:243 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3215,7 +3327,7 @@ msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::MolecularPropertiesDialog) -#: qtplugins/molecularproperties/molecularproperties.h:31:1042 +#: qtplugins/molecularproperties/molecularproperties.h:31:1081 msgid "Molecular Properties" msgstr "Molekulaarsed omadused..." @@ -3238,7 +3350,7 @@ msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1072 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 #, fuzzy msgid "Molecule Name:" msgstr "Molekulaarsed omadused..." @@ -3246,7 +3358,7 @@ msgstr "Molekulaarsed omadused..." #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1048 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1087 #, fuzzy msgid "Molecular Mass (g/mol):" msgstr "Molekulaarmass (g/mol):" @@ -3254,21 +3366,21 @@ msgstr "Molekulaarmass (g/mol):" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:221 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1054 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1093 msgid "Chemical Formula:" msgstr "Keemiline valem:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:63 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:223 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1060 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1099 msgid "Number of Atoms:" msgstr "Aatomite arv:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_8) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:225 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1066 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1105 msgid "Number of Bonds:" msgstr "Sidemete arv:" @@ -3335,15 +3447,6 @@ msgstr "Vesinik" msgid "Chalcogen" msgstr "" -#: qtplugins/openbabel/obforcefielddialog.cpp:319 -#, qt-format -msgid "Autodetect (%1)" -msgstr "" - -#: qtplugins/openbabel/openbabel.cpp:45 qtplugins/openbabel/openbabel.cpp:523 -msgid "Optimize Geometry" -msgstr "" - #: qtplugins/openbabel/openbabel.cpp:52 msgid "Configure Force Field…" msgstr "" @@ -3390,43 +3493,43 @@ msgstr "" msgid "Error parsing openbabel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:361 qtplugins/openbabel/openbabel.cpp:396 +#: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:387 +#: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:405 +#: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:430 +#: qtplugins/openbabel/openbabel.cpp:432 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Lisa pH jaoks vesinikke" -#: qtplugins/openbabel/openbabel.cpp:431 +#: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:450 +#: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:456 +#: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:470 qtplugins/openbabel/openbabel.cpp:478 +#: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format msgid "" "Step %1 of %2\n" @@ -3434,106 +3537,106 @@ msgid "" "dE: %4" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:492 +#: qtplugins/openbabel/openbabel.cpp:494 msgid "Updating molecule…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:500 qtplugins/openbabel/openbabel.cpp:581 -#: qtplugins/openbabel/openbabel.cpp:763 +#: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 +#: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:513 qtplugins/openbabel/openbabel.cpp:593 +#: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:532 +#: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:538 +#: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:544 +#: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:545 +#: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:552 +#: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:563 +#: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:573 +#: qtplugins/openbabel/openbabel.cpp:575 msgid "Updating molecule from Open Babel…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:625 qtplugins/openbabel/openbabel.cpp:667 +#: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:630 qtplugins/openbabel/openbabel.cpp:680 +#: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Lisa pH jaoks vesinikke" -#: qtplugins/openbabel/openbabel.cpp:631 +#: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:639 qtplugins/openbabel/openbabel.cpp:689 +#: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:652 qtplugins/openbabel/openbabel.cpp:702 -#: qtplugins/openbabel/openbabel.cpp:744 +#: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 +#: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "Add hydrogens for pH" msgstr "Lisa pH jaoks vesinikke" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "pH:" msgstr "pH" -#: qtplugins/openbabel/openbabel.cpp:681 qtplugins/openbabel/openbabel.cpp:723 +#: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:717 +#: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:722 +#: qtplugins/openbabel/openbabel.cpp:724 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Lisa pH jaoks vesinikke" -#: qtplugins/openbabel/openbabel.cpp:731 +#: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:754 +#: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:817 +#: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." @@ -3583,7 +3686,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) -#: qtplugins/openmminput/openmminputdialog.cpp:497:1162 +#: qtplugins/openmminput/openmminputdialog.cpp:497:1201 msgid "input.prmtop" msgstr "" @@ -3613,7 +3716,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 -#: qtplugins/openmminput/openmminputdialog.cpp:1069:1279 rc.cpp:1294 +#: qtplugins/openmminput/openmminputdialog.cpp:1069:1318 rc.cpp:1333 msgid "True" msgstr "" @@ -3656,7 +3759,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1636 +#: qtplugins/playertool/playertool.cpp:113:1675 #, fuzzy msgid "Frame:" msgstr "Jäägi nimi" @@ -3689,7 +3792,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:854 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 msgid "GIF (*.gif)" msgstr "" @@ -3706,18 +3809,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "videofailid (*.avi)" -#: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:882 -#: qtplugins/surfaces/surfaces.cpp:926 qtplugins/surfaces/surfaces.cpp:938 -#: qtplugins/yaehmop/yaehmop.cpp:534 -msgid "Avogadro" -msgstr "Avogadro" - -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:927 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4162,14 +4258,18 @@ msgstr "" msgid "Generate input for quantum codes." msgstr "" -#: qtplugins/resetview/resetview.cpp:37 +#: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" -#: qtplugins/resetview/resetview.cpp:38 +#: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" +#: qtplugins/resetview/resetview.cpp:52 +msgid "Align view to axes." +msgstr "" + #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" @@ -4309,7 +4409,7 @@ msgstr "Vali jäägi järgi..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1675 +#: qtplugins/select/select.h:30:1714 #, fuzzy msgid "Select" msgstr "Vali lahusti" @@ -4344,98 +4444,102 @@ msgstr "" msgid "New Layer" msgstr "Lisa või eemalda vesinikke" -#: qtplugins/spacegroup/spacegroup.cpp:49 +#: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:67:1660 +#: qtplugins/spacegroup/spacegroup.cpp:68:1699 msgid "Symmetrize" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:72 +#: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:77 -#: qtplugins/spacegroup/spacegroup.cpp:294 +#: qtplugins/spacegroup/spacegroup.cpp:78 +#: qtplugins/spacegroup/spacegroup.cpp:315 msgid "Reduce to Asymmetric Unit" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:83 +#: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:178 +#: qtplugins/spacegroup/spacegroup.cpp:112 +msgid "Fill symmetric atoms based on the crystal space group." +msgstr "" + +#: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:179 +#: qtplugins/spacegroup/spacegroup.cpp:200 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:194 +#: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:195 -#: qtplugins/spacegroup/spacegroup.cpp:220 -#: qtplugins/spacegroup/spacegroup.cpp:245 +#: qtplugins/spacegroup/spacegroup.cpp:216 +#: qtplugins/spacegroup/spacegroup.cpp:241 +#: qtplugins/spacegroup/spacegroup.cpp:266 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:208 +#: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:233 +#: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:257 +#: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:315 qtplugins/yaehmop/yaehmop.cpp:209 +#: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro" -#: qtplugins/spacegroup/spacegroup.cpp:316 +#: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hall" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hermann-Mauguin" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:345 +#: qtplugins/spacegroup/spacegroup.cpp:366 msgid "Select Space Group" msgstr "" @@ -4443,7 +4547,7 @@ msgstr "" msgid "SpaceGroup" msgstr "" -#: qtplugins/spacegroup/spacegroup.h:65 +#: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" @@ -4556,30 +4660,30 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:567 +#: qtplugins/surfaces/surfaces.cpp:568 #, fuzzy msgid "Calculating electron density" msgstr "Elektrontihedus" -#: qtplugins/surfaces/surfaces.cpp:576 +#: qtplugins/surfaces/surfaces.cpp:577 #, fuzzy msgid "Calculating spin density" msgstr "Elektrontihedus" -#: qtplugins/surfaces/surfaces.cpp:585 +#: qtplugins/surfaces/surfaces.cpp:586 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:831 qtplugins/surfaces/surfaces.cpp:859 +#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:833 +#: qtplugins/surfaces/surfaces.cpp:834 msgid "Export Movie" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:835 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4617,7 +4721,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1645 +#: qtplugins/symmetry/symmetry.h:34:1684 msgid "Symmetry" msgstr "" @@ -5442,6 +5546,85 @@ msgstr "" msgid "Bond Order:" msgstr "" +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) +msgid "Geometry Optimization Parameters" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +msgid "Convergence Criteria" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label_2) +msgid "Energy convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 +#. i18n: ectx: property (text), widget (QLabel, label_5) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 +#. i18n: ectx: property (text), widget (QLabel, label_5) +msgid "Step limit:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 +#. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +msgid " units" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 +#. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +msgid "10^" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 +#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +msgid " steps" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QLabel, label_4) +msgid "Gradient convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +msgid "Optimization Method" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 +#. i18n: ectx: property (text), widget (QLabel, label) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Force field:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +msgid "Autodetect" +msgstr "" + #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" @@ -6253,21 +6436,6 @@ msgstr "" msgid "TODO" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) -msgid "Geometry Optimization Parameters" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) -msgid "Optimization Method" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Force field:" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" @@ -6298,11 +6466,6 @@ msgstr "" msgid "Newton's Method" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 -#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) -msgid "Autodetect" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" @@ -6330,38 +6493,11 @@ msgstr "" msgid "Å" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 -#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 -#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) -msgid " steps" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) -msgid "Convergence Criteria" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 -#. i18n: ectx: property (text), widget (QLabel, label_5) -msgid "Step limit:" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 -#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) -msgid " units" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 -#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) -msgid "10^" -msgstr "" - #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" @@ -7549,9 +7685,6 @@ msgstr "" #~ msgid "Calculate Energy" #~ msgstr "Arvuta energia" -#~ msgid "Energy = %L1 %2" -#~ msgstr "Energia = %L1 %2" - #~ msgid "URL" #~ msgstr "URL" diff --git a/i18n/eu.po b/i18n/eu.po index 121865155d..d1e56c0966 100644 --- a/i18n/eu.po +++ b/i18n/eu.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-15 02:02+0000\n" +"POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2022-06-22 19:15+0000\n" "Last-Translator: Julen Larrucea \n" "Language-Team: Basque \n" "Language-Team: Finnish \n" @@ -487,7 +487,7 @@ msgstr "Boori" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1708 +#: qtgui/elementtranslator.cpp:34:1747 msgid "Carbon" msgstr "Hiili" @@ -569,13 +569,13 @@ msgstr "Mangaani" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1711 +#: qtgui/elementtranslator.cpp:94:1750 msgid "Iron" msgstr "Rauta" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1714 +#: qtgui/elementtranslator.cpp:97:1753 msgid "Cobalt" msgstr "Koboltti" @@ -1061,7 +1061,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) -#: qtgui/jsonwidget.cpp:177:627 +#: qtgui/jsonwidget.cpp:177:666 msgid "Title" msgstr "" @@ -1246,27 +1246,27 @@ msgstr "" msgid "Warning '%1'" msgstr "" -#: qtgui/pythonscript.cpp:238 +#: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" -#: qtgui/pythonscript.cpp:241 +#: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" -#: qtgui/pythonscript.cpp:244 +#: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" -#: qtgui/pythonscript.cpp:247 +#: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" -#: qtgui/pythonscript.cpp:250 +#: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" -#: qtgui/pythonscript.cpp:254 +#: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" @@ -1297,7 +1297,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1528 +#: qtplugins/selectiontool/selectiontool.cpp:252:1567 #, fuzzy msgid "Change Layer" msgstr "Vaihda sidosten järjestystä" @@ -1412,16 +1412,16 @@ msgstr "" msgid "Rotate to Standard Orientation" msgstr "" -#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:55 +#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" -#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:61 -#: qtplugins/spacegroup/spacegroup.cpp:219 +#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 +#: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" msgstr "" -#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:244 +#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 msgid "Symmetrize Cell" msgstr "" @@ -1622,14 +1622,14 @@ msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/openbabel/openbabel.cpp:204 qtplugins/openbabel/openbabel.cpp:213 -#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:360 -#: qtplugins/openbabel/openbabel.cpp:386 qtplugins/openbabel/openbabel.cpp:395 -#: qtplugins/openbabel/openbabel.cpp:449 qtplugins/openbabel/openbabel.cpp:499 -#: qtplugins/openbabel/openbabel.cpp:512 qtplugins/openbabel/openbabel.cpp:537 -#: qtplugins/openbabel/openbabel.cpp:551 qtplugins/openbabel/openbabel.cpp:580 -#: qtplugins/openbabel/openbabel.cpp:592 qtplugins/openbabel/openbabel.cpp:638 -#: qtplugins/openbabel/openbabel.cpp:688 qtplugins/openbabel/openbabel.cpp:730 -#: qtplugins/openbabel/openbabel.cpp:762 +#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:362 +#: qtplugins/openbabel/openbabel.cpp:388 qtplugins/openbabel/openbabel.cpp:397 +#: qtplugins/openbabel/openbabel.cpp:451 qtplugins/openbabel/openbabel.cpp:501 +#: qtplugins/openbabel/openbabel.cpp:514 qtplugins/openbabel/openbabel.cpp:539 +#: qtplugins/openbabel/openbabel.cpp:553 qtplugins/openbabel/openbabel.cpp:582 +#: qtplugins/openbabel/openbabel.cpp:594 qtplugins/openbabel/openbabel.cpp:640 +#: qtplugins/openbabel/openbabel.cpp:690 qtplugins/openbabel/openbabel.cpp:732 +#: qtplugins/openbabel/openbabel.cpp:764 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/quantuminput/quantuminput.cpp:111 msgid "Error" @@ -1708,25 +1708,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:734 +#: qtplugins/surfaces/surfaces.cpp:735 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:736 +#: qtplugins/surfaces/surfaces.cpp:737 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:738 +#: qtplugins/surfaces/surfaces.cpp:739 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:740 +#: qtplugins/surfaces/surfaces.cpp:741 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1734,7 +1734,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:742 +#: qtplugins/surfaces/surfaces.cpp:743 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1742,7 +1742,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:744 +#: qtplugins/surfaces/surfaces.cpp:745 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1750,7 +1750,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:746 +#: qtplugins/surfaces/surfaces.cpp:747 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1758,7 +1758,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:748 +#: qtplugins/surfaces/surfaces.cpp:749 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1766,7 +1766,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:750 +#: qtplugins/surfaces/surfaces.cpp:751 msgctxt "colormap" msgid "Cividis" msgstr "" @@ -1778,7 +1778,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:752:171 rc.cpp:1576 +#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 #, fuzzy #| msgid "Neutral" msgctxt "colormap" @@ -1790,7 +1790,7 @@ msgstr "Neutraali" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:754:168 rc.cpp:1573 +#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1800,7 +1800,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:756:162 rc.cpp:1567 +#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1812,7 +1812,7 @@ msgstr "Peruuta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:758:165 rc.cpp:1570 +#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1824,7 +1824,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1579 +#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1836,7 +1836,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 -#: qtplugins/resetview/resetview.cpp:57 +#: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Näytä" @@ -1859,7 +1859,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1564 +#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 #, fuzzy msgid "Colormap:" msgstr "Väri:" @@ -1975,6 +1975,19 @@ msgstr "" msgid "Bond" msgstr "Sidos" +#: qtplugins/bonding/bonding.cpp:74 +msgid "Remove bonds from all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:76 +msgid "Create bonds between all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:77 +#, fuzzy +msgid "Perceive bond orders." +msgstr "Poista vetyjä" + #: qtplugins/bonding/bonding.h:32 msgid "Bonding" msgstr "" @@ -2112,6 +2125,7 @@ msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 +#: qtplugins/forcefield/forcefield.cpp:126 #: qtplugins/openbabel/openbabel.cpp:107 #: qtplugins/plugindownloader/plugindownloader.cpp:40 #: qtplugins/quantuminput/quantuminput.cpp:69 qtplugins/yaehmop/yaehmop.cpp:112 @@ -2298,7 +2312,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1606 rc.cpp:1633 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 msgid "Custom" msgstr "" @@ -2442,6 +2456,7 @@ msgid "Generate input for CP2K." msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 +#: qtplugins/forcefield/forcefield.cpp:83 msgid "Energy" msgstr "Energia" @@ -2477,13 +2492,13 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:680 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:719 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1252 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1291 msgid "PME" msgstr "" @@ -2594,7 +2609,7 @@ msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" @@ -2610,11 +2625,19 @@ msgstr "" msgid "Import Crystal from Clipboard" msgstr "" -#: qtplugins/crystal/crystal.cpp:193 +#: qtplugins/crystal/crystal.cpp:175 +msgid "Wrap atoms into the unit cell." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:177 +msgid "Rotate the unit cell to the standard orientation." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" -#: qtplugins/crystal/crystal.cpp:194 +#: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" @@ -2622,7 +2645,7 @@ msgstr "" msgid "Crystal" msgstr "" -#: qtplugins/crystal/crystal.h:64 +#: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" @@ -2708,7 +2731,7 @@ msgstr "Muu..." #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#: qtplugins/editor/editortoolwidget.cpp:208:1585 rc.cpp:1603 +#: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" msgstr "" @@ -2801,6 +2824,100 @@ msgstr "" msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" +#: qtplugins/forcefield/forcefield.cpp:75 +#, fuzzy +#| msgid "Optimization" +msgid "Optimize" +msgstr "Optimisaatio" + +#: qtplugins/forcefield/forcefield.cpp:91 +#, fuzzy +msgid "Configure…" +msgstr "Aseta voimakenttä" + +#: qtplugins/forcefield/forcefield.cpp:103 +#, fuzzy +#| msgid "Fix Selected Atoms" +msgid "Freeze Selected Atoms" +msgstr "Kiinnitä valitut atomit paikoilleen" + +#: qtplugins/forcefield/forcefield.cpp:110 +#, fuzzy +#| msgid "Fix Selected Atoms" +msgid "Unfreeze Selected Atoms" +msgstr "Kiinnitä valitut atomit paikoilleen" + +#: qtplugins/forcefield/forcefield.cpp:126 +#, fuzzy +#| msgid "Calculate Energy" +msgid "&Calculate" +msgstr "Laske energia" + +#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/openbabel/openbabel.cpp:525 +msgid "Optimize Geometry" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:328 +#, qt-format +msgid "%1 Energy = %L2" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/playertool/playertool.cpp:343 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 +#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/yaehmop/yaehmop.cpp:534 +msgid "Avogadro" +msgstr "Avogadro" + +#: qtplugins/forcefield/forcefield.h:46 +#, fuzzy +#| msgid "Global Optimization" +msgid "Forcefield optimization" +msgstr "Globaali optimisaatio" + +#: qtplugins/forcefield/forcefield.h:50 +msgid "Forcefield minimization, including scripts" +msgstr "" + +#: qtplugins/forcefield/forcefielddialog.cpp:119 +#: qtplugins/openbabel/obforcefielddialog.cpp:319 +#, qt-format +msgid "Autodetect (%1)" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:77 +#, fuzzy +#| msgid "Force Field" +msgid "Universal Force Field" +msgstr "Voimakenttä" + +#: qtplugins/forcefield/obmmenergy.cpp:82 +msgid "Generalized Amber Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:96 +msgid "Merck Molecular Force Field 94" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:238 +#, qt-format +msgid "Error retrieving metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:248 +#, qt-format +msgid "Error parsing metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:256 +#, qt-format +msgid "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" +msgstr "" + #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" @@ -2957,7 +3074,7 @@ msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:561 +#: qtplugins/insertdna/insertdna.cpp:168:600 msgid "Thymine" msgstr "" @@ -2965,7 +3082,7 @@ msgstr "" #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 -#: qtplugins/lineformatinput/lineformatinput.cpp:123:982 +#: qtplugins/lineformatinput/lineformatinput.cpp:123:1021 #, fuzzy #| msgid "Molecule" msgid "Insert Molecule…" @@ -3034,7 +3151,7 @@ msgstr "Etäisyys" #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1261 +#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" msgstr "" @@ -3222,7 +3339,7 @@ msgstr "Mittaa" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) -#: qtplugins/meshes/meshes.cpp:170:1519 +#: qtplugins/meshes/meshes.cpp:170:1558 msgid "Opacity:" msgstr "" @@ -3242,7 +3359,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:243 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 #, fuzzy msgid "&Analysis" msgstr "Analyyttinen" @@ -3255,7 +3372,7 @@ msgstr "&Ominaisuudet" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::MolecularPropertiesDialog) -#: qtplugins/molecularproperties/molecularproperties.h:31:1042 +#: qtplugins/molecularproperties/molecularproperties.h:31:1081 msgid "Molecular Properties" msgstr "" @@ -3279,7 +3396,7 @@ msgstr "Molekyyli" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1072 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 #, fuzzy #| msgid "Molecule Charge:" msgid "Molecule Name:" @@ -3288,28 +3405,28 @@ msgstr "Molekyylin varaus:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1048 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1087 msgid "Molecular Mass (g/mol):" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:221 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1054 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1093 msgid "Chemical Formula:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:63 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:223 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1060 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1099 msgid "Number of Atoms:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_8) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:225 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1066 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1105 msgid "Number of Bonds:" msgstr "" @@ -3377,15 +3494,6 @@ msgstr "Vety" msgid "Chalcogen" msgstr "" -#: qtplugins/openbabel/obforcefielddialog.cpp:319 -#, qt-format -msgid "Autodetect (%1)" -msgstr "" - -#: qtplugins/openbabel/openbabel.cpp:45 qtplugins/openbabel/openbabel.cpp:523 -msgid "Optimize Geometry" -msgstr "" - #: qtplugins/openbabel/openbabel.cpp:52 #, fuzzy msgid "Configure Force Field…" @@ -3433,43 +3541,43 @@ msgstr "" msgid "Error parsing openbabel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:361 qtplugins/openbabel/openbabel.cpp:396 +#: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:387 +#: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:405 +#: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:430 +#: qtplugins/openbabel/openbabel.cpp:432 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Poista vetyjä" -#: qtplugins/openbabel/openbabel.cpp:431 +#: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:450 +#: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:456 +#: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:470 qtplugins/openbabel/openbabel.cpp:478 +#: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format msgid "" "Step %1 of %2\n" @@ -3477,108 +3585,108 @@ msgid "" "dE: %4" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:492 +#: qtplugins/openbabel/openbabel.cpp:494 #, fuzzy msgid "Updating molecule…" msgstr "Molekyyli" -#: qtplugins/openbabel/openbabel.cpp:500 qtplugins/openbabel/openbabel.cpp:581 -#: qtplugins/openbabel/openbabel.cpp:763 +#: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 +#: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:513 qtplugins/openbabel/openbabel.cpp:593 +#: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:532 +#: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:538 +#: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:544 +#: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:545 +#: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:552 +#: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:563 +#: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:573 +#: qtplugins/openbabel/openbabel.cpp:575 #, fuzzy msgid "Updating molecule from Open Babel…" msgstr "Molekyyli" -#: qtplugins/openbabel/openbabel.cpp:625 qtplugins/openbabel/openbabel.cpp:667 +#: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:630 qtplugins/openbabel/openbabel.cpp:680 +#: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Lisää vetyjä" -#: qtplugins/openbabel/openbabel.cpp:631 +#: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:639 qtplugins/openbabel/openbabel.cpp:689 +#: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:652 qtplugins/openbabel/openbabel.cpp:702 -#: qtplugins/openbabel/openbabel.cpp:744 +#: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 +#: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "Add hydrogens for pH" msgstr "Lisää vetyjä" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "pH:" msgstr "pH" -#: qtplugins/openbabel/openbabel.cpp:681 qtplugins/openbabel/openbabel.cpp:723 +#: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:717 +#: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:722 +#: qtplugins/openbabel/openbabel.cpp:724 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Poista vetyjä" -#: qtplugins/openbabel/openbabel.cpp:731 +#: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:754 +#: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:817 +#: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." @@ -3628,7 +3736,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) -#: qtplugins/openmminput/openmminputdialog.cpp:497:1162 +#: qtplugins/openmminput/openmminputdialog.cpp:497:1201 msgid "input.prmtop" msgstr "" @@ -3658,7 +3766,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 -#: qtplugins/openmminput/openmminputdialog.cpp:1069:1279 rc.cpp:1294 +#: qtplugins/openmminput/openmminputdialog.cpp:1069:1318 rc.cpp:1333 msgid "True" msgstr "" @@ -3703,7 +3811,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1636 +#: qtplugins/playertool/playertool.cpp:113:1675 #, fuzzy msgid "Frame:" msgstr "Parametrit:" @@ -3736,7 +3844,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:854 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 msgid "GIF (*.gif)" msgstr "" @@ -3753,18 +3861,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "videotiedostot (*.avi)" -#: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:882 -#: qtplugins/surfaces/surfaces.cpp:926 qtplugins/surfaces/surfaces.cpp:938 -#: qtplugins/yaehmop/yaehmop.cpp:534 -msgid "Avogadro" -msgstr "Avogadro" - -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:927 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4210,14 +4311,18 @@ msgstr "" msgid "Generate input for quantum codes." msgstr "" -#: qtplugins/resetview/resetview.cpp:37 +#: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" -#: qtplugins/resetview/resetview.cpp:38 +#: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" +#: qtplugins/resetview/resetview.cpp:52 +msgid "Align view to axes." +msgstr "" + #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" @@ -4360,7 +4465,7 @@ msgstr "Valintatila:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1675 +#: qtplugins/select/select.h:30:1714 #, fuzzy msgid "Select" msgstr "&Valitse" @@ -4395,100 +4500,104 @@ msgstr "" msgid "New Layer" msgstr "Poista vetyjä" -#: qtplugins/spacegroup/spacegroup.cpp:49 +#: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:67:1660 +#: qtplugins/spacegroup/spacegroup.cpp:68:1699 msgid "Symmetrize" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:72 +#: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Täytä yksikkökoppi" -#: qtplugins/spacegroup/spacegroup.cpp:77 -#: qtplugins/spacegroup/spacegroup.cpp:294 +#: qtplugins/spacegroup/spacegroup.cpp:78 +#: qtplugins/spacegroup/spacegroup.cpp:315 msgid "Reduce to Asymmetric Unit" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:83 +#: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:178 +#: qtplugins/spacegroup/spacegroup.cpp:112 +msgid "Fill symmetric atoms based on the crystal space group." +msgstr "" + +#: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:179 +#: qtplugins/spacegroup/spacegroup.cpp:200 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:194 +#: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:195 -#: qtplugins/spacegroup/spacegroup.cpp:220 -#: qtplugins/spacegroup/spacegroup.cpp:245 +#: qtplugins/spacegroup/spacegroup.cpp:216 +#: qtplugins/spacegroup/spacegroup.cpp:241 +#: qtplugins/spacegroup/spacegroup.cpp:266 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:208 +#: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:233 +#: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:257 +#: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:315 qtplugins/yaehmop/yaehmop.cpp:209 +#: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro" -#: qtplugins/spacegroup/spacegroup.cpp:316 +#: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hall" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hermann-Mauguin" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:345 +#: qtplugins/spacegroup/spacegroup.cpp:366 msgid "Select Space Group" msgstr "" @@ -4496,7 +4605,7 @@ msgstr "" msgid "SpaceGroup" msgstr "" -#: qtplugins/spacegroup/spacegroup.h:65 +#: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" @@ -4609,30 +4718,30 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:567 +#: qtplugins/surfaces/surfaces.cpp:568 #, fuzzy msgid "Calculating electron density" msgstr "Lasketaan elektronitiheyttä" -#: qtplugins/surfaces/surfaces.cpp:576 +#: qtplugins/surfaces/surfaces.cpp:577 #, fuzzy msgid "Calculating spin density" msgstr "Lasketaan elektronitiheyttä" -#: qtplugins/surfaces/surfaces.cpp:585 +#: qtplugins/surfaces/surfaces.cpp:586 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:831 qtplugins/surfaces/surfaces.cpp:859 +#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:833 +#: qtplugins/surfaces/surfaces.cpp:834 msgid "Export Movie" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:835 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4670,7 +4779,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1645 +#: qtplugins/symmetry/symmetry.h:34:1684 msgid "Symmetry" msgstr "" @@ -5502,6 +5611,85 @@ msgstr "Alkuaine:" msgid "Bond Order:" msgstr "Sidoskertaluku:" +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) +msgid "Geometry Optimization Parameters" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +msgid "Convergence Criteria" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label_2) +msgid "Energy convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 +#. i18n: ectx: property (text), widget (QLabel, label_5) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 +#. i18n: ectx: property (text), widget (QLabel, label_5) +msgid "Step limit:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 +#. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +msgid " units" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 +#. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +msgid "10^" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 +#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +msgid " steps" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QLabel, label_4) +msgid "Gradient convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +msgid "Optimization Method" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 +#. i18n: ectx: property (text), widget (QLabel, label) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Force field:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +msgid "Autodetect" +msgstr "" + #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" @@ -6314,21 +6502,6 @@ msgstr "" msgid "TODO" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) -msgid "Geometry Optimization Parameters" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) -msgid "Optimization Method" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Force field:" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" @@ -6359,11 +6532,6 @@ msgstr "" msgid "Newton's Method" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 -#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) -msgid "Autodetect" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" @@ -6391,38 +6559,11 @@ msgstr "" msgid "Å" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 -#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 -#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) -msgid " steps" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) -msgid "Convergence Criteria" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 -#. i18n: ectx: property (text), widget (QLabel, label_5) -msgid "Step limit:" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 -#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) -msgid " units" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 -#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) -msgid "10^" -msgstr "" - #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" @@ -7646,9 +7787,6 @@ msgstr "" #~ msgid "Undefined" #~ msgstr "Määrittelemätön" -#~ msgid "Calculate Energy" -#~ msgstr "Laske energia" - #~ msgid "Constraints..." #~ msgstr "Rajoitteet..." @@ -7829,9 +7967,6 @@ msgstr "" #~ msgid "All" #~ msgstr "Kaikki" -#~ msgid "Force Field" -#~ msgstr "Voimakenttä" - #~ msgid "Ghemical" #~ msgstr "Ghemical" @@ -7901,9 +8036,6 @@ msgstr "" #~ msgid "Hondo7" #~ msgstr "Hondo7" -#~ msgid "Optimization" -#~ msgstr "Optimisaatio" - #~ msgid "IRC" #~ msgstr "IRC" @@ -7913,9 +8045,6 @@ msgstr "" #~ msgid "TDHF" #~ msgstr "TDHF" -#~ msgid "Global Optimization" -#~ msgstr "Globaali optimisaatio" - #~ msgid "VSCF" #~ msgstr "VSCF" diff --git a/i18n/fr.po b/i18n/fr.po index 9079abc980..2dfc9dbc68 100644 --- a/i18n/fr.po +++ b/i18n/fr.po @@ -8,7 +8,7 @@ msgid "" msgstr "" "Project-Id-Version: PACKAGE VERSION\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-15 02:02+0000\n" +"POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-10-13 13:02+0000\n" "Last-Translator: Norwid Behrnd \n" "Language-Team: French \n" "Language-Team: Galician \n" @@ -487,7 +487,7 @@ msgstr "Boro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1708 +#: qtgui/elementtranslator.cpp:34:1747 msgid "Carbon" msgstr "Carbono" @@ -569,13 +569,13 @@ msgstr "Manganeso" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1711 +#: qtgui/elementtranslator.cpp:94:1750 msgid "Iron" msgstr "Ferro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1714 +#: qtgui/elementtranslator.cpp:97:1753 msgid "Cobalt" msgstr "Cobalto" @@ -1062,7 +1062,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) -#: qtgui/jsonwidget.cpp:177:627 +#: qtgui/jsonwidget.cpp:177:666 msgid "Title" msgstr "Título" @@ -1253,27 +1253,27 @@ msgstr "" msgid "Warning '%1'" msgstr "" -#: qtgui/pythonscript.cpp:238 +#: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" -#: qtgui/pythonscript.cpp:241 +#: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" -#: qtgui/pythonscript.cpp:244 +#: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" -#: qtgui/pythonscript.cpp:247 +#: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" -#: qtgui/pythonscript.cpp:250 +#: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" -#: qtgui/pythonscript.cpp:254 +#: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" @@ -1304,7 +1304,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1528 +#: qtplugins/selectiontool/selectiontool.cpp:252:1567 #, fuzzy msgid "Change Layer" msgstr "Modificar a orde de enlace" @@ -1422,17 +1422,17 @@ msgstr "" msgid "Rotate to Standard Orientation" msgstr "Rotar á orientación estándar" -#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:55 +#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 #, fuzzy msgid "Reduce to Primitive" msgstr "Reducir á cela primitiva" -#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:61 -#: qtplugins/spacegroup/spacegroup.cpp:219 +#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 +#: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" msgstr "" -#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:244 +#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 #, fuzzy msgid "Symmetrize Cell" msgstr "Simetrizar cristal" @@ -1642,14 +1642,14 @@ msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/openbabel/openbabel.cpp:204 qtplugins/openbabel/openbabel.cpp:213 -#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:360 -#: qtplugins/openbabel/openbabel.cpp:386 qtplugins/openbabel/openbabel.cpp:395 -#: qtplugins/openbabel/openbabel.cpp:449 qtplugins/openbabel/openbabel.cpp:499 -#: qtplugins/openbabel/openbabel.cpp:512 qtplugins/openbabel/openbabel.cpp:537 -#: qtplugins/openbabel/openbabel.cpp:551 qtplugins/openbabel/openbabel.cpp:580 -#: qtplugins/openbabel/openbabel.cpp:592 qtplugins/openbabel/openbabel.cpp:638 -#: qtplugins/openbabel/openbabel.cpp:688 qtplugins/openbabel/openbabel.cpp:730 -#: qtplugins/openbabel/openbabel.cpp:762 +#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:362 +#: qtplugins/openbabel/openbabel.cpp:388 qtplugins/openbabel/openbabel.cpp:397 +#: qtplugins/openbabel/openbabel.cpp:451 qtplugins/openbabel/openbabel.cpp:501 +#: qtplugins/openbabel/openbabel.cpp:514 qtplugins/openbabel/openbabel.cpp:539 +#: qtplugins/openbabel/openbabel.cpp:553 qtplugins/openbabel/openbabel.cpp:582 +#: qtplugins/openbabel/openbabel.cpp:594 qtplugins/openbabel/openbabel.cpp:640 +#: qtplugins/openbabel/openbabel.cpp:690 qtplugins/openbabel/openbabel.cpp:732 +#: qtplugins/openbabel/openbabel.cpp:764 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/quantuminput/quantuminput.cpp:111 msgid "Error" @@ -1732,25 +1732,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:734 +#: qtplugins/surfaces/surfaces.cpp:735 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:736 +#: qtplugins/surfaces/surfaces.cpp:737 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:738 +#: qtplugins/surfaces/surfaces.cpp:739 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:740 +#: qtplugins/surfaces/surfaces.cpp:741 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1758,7 +1758,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:742 +#: qtplugins/surfaces/surfaces.cpp:743 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1766,7 +1766,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:744 +#: qtplugins/surfaces/surfaces.cpp:745 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1774,7 +1774,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:746 +#: qtplugins/surfaces/surfaces.cpp:747 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1782,7 +1782,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:748 +#: qtplugins/surfaces/surfaces.cpp:749 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1790,7 +1790,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:750 +#: qtplugins/surfaces/surfaces.cpp:751 msgctxt "colormap" msgid "Cividis" msgstr "" @@ -1802,7 +1802,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:752:171 rc.cpp:1576 +#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 #, fuzzy #| msgid "Spectra" msgctxt "colormap" @@ -1814,7 +1814,7 @@ msgstr "Espectros" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:754:168 rc.cpp:1573 +#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1824,7 +1824,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:756:162 rc.cpp:1567 +#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1836,7 +1836,7 @@ msgstr "Cancelar" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:758:165 rc.cpp:1570 +#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1848,7 +1848,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1579 +#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1860,7 +1860,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 -#: qtplugins/resetview/resetview.cpp:57 +#: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Vista" @@ -1886,7 +1886,7 @@ msgstr "Cores escollidas" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1564 +#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 #, fuzzy #| msgid "Color:" msgid "Colormap:" @@ -2007,6 +2007,19 @@ msgstr "&Construír" msgid "Bond" msgstr "Enlace" +#: qtplugins/bonding/bonding.cpp:74 +msgid "Remove bonds from all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:76 +msgid "Create bonds between all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:77 +#, fuzzy +msgid "Perceive bond orders." +msgstr "Percibe os enlaces?" + #: qtplugins/bonding/bonding.h:32 msgid "Bonding" msgstr "" @@ -2153,6 +2166,7 @@ msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 +#: qtplugins/forcefield/forcefield.cpp:126 #: qtplugins/openbabel/openbabel.cpp:107 #: qtplugins/plugindownloader/plugindownloader.cpp:40 #: qtplugins/quantuminput/quantuminput.cpp:69 qtplugins/yaehmop/yaehmop.cpp:112 @@ -2341,7 +2355,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1606 rc.cpp:1633 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 msgid "Custom" msgstr "Personalizada" @@ -2490,6 +2504,7 @@ msgid "Generate input for CP2K." msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 +#: qtplugins/forcefield/forcefield.cpp:83 msgid "Energy" msgstr "Enerxía" @@ -2527,13 +2542,13 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:680 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:719 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1252 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1291 msgid "PME" msgstr "" @@ -2651,7 +2666,7 @@ msgstr "Reducir a cela (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "&Crystal" msgstr "&Cristalografía" @@ -2669,11 +2684,22 @@ msgstr "Engadir unha cela &unidade" msgid "Import Crystal from Clipboard" msgstr "I&mportar cristal desde o portapapeis..." -#: qtplugins/crystal/crystal.cpp:193 +#: qtplugins/crystal/crystal.cpp:175 +#, fuzzy +msgid "Wrap atoms into the unit cell." +msgstr "&Envolver os átomos da cela" + +#: qtplugins/crystal/crystal.cpp:177 +#, fuzzy +#| msgid "Rotate to Standard Orientation" +msgid "Rotate the unit cell to the standard orientation." +msgstr "Rotar á orientación estándar" + +#: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" -#: qtplugins/crystal/crystal.cpp:194 +#: qtplugins/crystal/crystal.cpp:216 #, fuzzy msgid "The unit cell is already reduced." msgstr "" @@ -2684,7 +2710,7 @@ msgstr "" msgid "Crystal" msgstr "Pegar cristal" -#: qtplugins/crystal/crystal.h:64 +#: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" @@ -2771,7 +2797,7 @@ msgstr "Outro" #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#: qtplugins/editor/editortoolwidget.cpp:208:1585 rc.cpp:1603 +#: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" msgstr "" @@ -2867,6 +2893,104 @@ msgstr "" msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" +#: qtplugins/forcefield/forcefield.cpp:75 +#, fuzzy +#| msgid "Optimization" +msgid "Optimize" +msgstr "Optimización" + +#: qtplugins/forcefield/forcefield.cpp:91 +#, fuzzy +msgid "Configure…" +msgstr "Configurar o campo de forzas..." + +#: qtplugins/forcefield/forcefield.cpp:103 +#, fuzzy +#| msgid "Import Selected Atoms" +msgid "Freeze Selected Atoms" +msgstr "Importar os átomos escollidos" + +#: qtplugins/forcefield/forcefield.cpp:110 +#, fuzzy +#| msgid "Fix Selected Atoms" +msgid "Unfreeze Selected Atoms" +msgstr "Fixar os átomos escollidos" + +#: qtplugins/forcefield/forcefield.cpp:126 +#, fuzzy +#| msgid "Calculate" +msgid "&Calculate" +msgstr "Calcular" + +#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/openbabel/openbabel.cpp:525 +#, fuzzy +msgid "Optimize Geometry" +msgstr "&Optimizar a xeometría" + +#: qtplugins/forcefield/forcefield.cpp:328 +#, fuzzy, qt-format +#| msgid "Energy = %L1 %2" +msgid "%1 Energy = %L2" +msgstr "Enerxía = %L1 %2" + +#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/playertool/playertool.cpp:343 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 +#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/yaehmop/yaehmop.cpp:534 +msgid "Avogadro" +msgstr "Avogadro" + +#: qtplugins/forcefield/forcefield.h:46 +#, fuzzy +#| msgid "Forcefield Optimization" +msgid "Forcefield optimization" +msgstr "Optimización do campo de forzas" + +#: qtplugins/forcefield/forcefield.h:50 +#, fuzzy +#| msgid "Forcefield Optimization" +msgid "Forcefield minimization, including scripts" +msgstr "Optimización do campo de forzas" + +#: qtplugins/forcefield/forcefielddialog.cpp:119 +#: qtplugins/openbabel/obforcefielddialog.cpp:319 +#, qt-format +msgid "Autodetect (%1)" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:77 +#, fuzzy +#| msgid "Force Field" +msgid "Universal Force Field" +msgstr "Campo de forzas" + +#: qtplugins/forcefield/obmmenergy.cpp:82 +msgid "Generalized Amber Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:96 +msgid "Merck Molecular Force Field 94" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:238 +#, qt-format +msgid "Error retrieving metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:248 +#, qt-format +msgid "Error parsing metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:256 +#, qt-format +msgid "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" +msgstr "" + #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "&GAMESS" @@ -3031,7 +3155,7 @@ msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:561 +#: qtplugins/insertdna/insertdna.cpp:168:600 msgid "Thymine" msgstr "" @@ -3039,7 +3163,7 @@ msgstr "" #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 -#: qtplugins/lineformatinput/lineformatinput.cpp:123:982 +#: qtplugins/lineformatinput/lineformatinput.cpp:123:1021 #, fuzzy #| msgid "Molecule" msgid "Insert Molecule…" @@ -3114,7 +3238,7 @@ msgstr "Distancia" #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1261 +#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" msgstr "Ningún" @@ -3311,7 +3435,7 @@ msgstr "Medir" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) -#: qtplugins/meshes/meshes.cpp:170:1519 +#: qtplugins/meshes/meshes.cpp:170:1558 msgid "Opacity:" msgstr "Opacidade:" @@ -3331,7 +3455,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:243 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 #, fuzzy msgid "&Analysis" msgstr "Analítico" @@ -3344,7 +3468,7 @@ msgstr "&Propiedades" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::MolecularPropertiesDialog) -#: qtplugins/molecularproperties/molecularproperties.h:31:1042 +#: qtplugins/molecularproperties/molecularproperties.h:31:1081 msgid "Molecular Properties" msgstr "Propiedades da molécula" @@ -3369,7 +3493,7 @@ msgstr "Non se definiu ningunha molécula" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1072 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 #, fuzzy #| msgid "IUPAC Molecule Name:" msgid "Molecule Name:" @@ -3378,7 +3502,7 @@ msgstr "Nome IUPAC da molécula:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1048 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1087 #, fuzzy msgid "Molecular Mass (g/mol):" msgstr "Masa molecular (g/mol):" @@ -3386,21 +3510,21 @@ msgstr "Masa molecular (g/mol):" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:221 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1054 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1093 msgid "Chemical Formula:" msgstr "Fórmula química:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:63 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:223 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1060 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1099 msgid "Number of Atoms:" msgstr "Número de átomos:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_8) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:225 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1066 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1105 msgid "Number of Bonds:" msgstr "Número de enlaces:" @@ -3467,16 +3591,6 @@ msgstr "Hidróxeno" msgid "Chalcogen" msgstr "" -#: qtplugins/openbabel/obforcefielddialog.cpp:319 -#, qt-format -msgid "Autodetect (%1)" -msgstr "" - -#: qtplugins/openbabel/openbabel.cpp:45 qtplugins/openbabel/openbabel.cpp:523 -#, fuzzy -msgid "Optimize Geometry" -msgstr "&Optimizar a xeometría" - #: qtplugins/openbabel/openbabel.cpp:52 #, fuzzy msgid "Configure Force Field…" @@ -3524,43 +3638,43 @@ msgstr "" msgid "Error parsing openbabel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:361 qtplugins/openbabel/openbabel.cpp:396 +#: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:387 +#: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:405 +#: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:430 +#: qtplugins/openbabel/openbabel.cpp:432 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "&Optimizar a xeometría" -#: qtplugins/openbabel/openbabel.cpp:431 +#: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:450 +#: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:456 +#: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:470 qtplugins/openbabel/openbabel.cpp:478 +#: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format msgid "" "Step %1 of %2\n" @@ -3568,17 +3682,17 @@ msgid "" "dE: %4" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:492 +#: qtplugins/openbabel/openbabel.cpp:494 #, fuzzy msgid "Updating molecule…" msgstr "Non se definiu ningunha molécula" -#: qtplugins/openbabel/openbabel.cpp:500 qtplugins/openbabel/openbabel.cpp:581 -#: qtplugins/openbabel/openbabel.cpp:763 +#: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 +#: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:513 qtplugins/openbabel/openbabel.cpp:593 +#: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " @@ -3587,91 +3701,91 @@ msgstr "" "O ficheiro de traxectoria %1 non se corresponde co número de átomos nesta " "molécula" -#: qtplugins/openbabel/openbabel.cpp:532 +#: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:538 +#: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:544 +#: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:545 +#: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:552 +#: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:563 +#: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:573 +#: qtplugins/openbabel/openbabel.cpp:575 #, fuzzy msgid "Updating molecule from Open Babel…" msgstr "Non se definiu ningunha molécula" -#: qtplugins/openbabel/openbabel.cpp:625 qtplugins/openbabel/openbabel.cpp:667 +#: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:630 qtplugins/openbabel/openbabel.cpp:680 +#: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Engadir hidróxenos" -#: qtplugins/openbabel/openbabel.cpp:631 +#: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:639 qtplugins/openbabel/openbabel.cpp:689 +#: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:652 qtplugins/openbabel/openbabel.cpp:702 -#: qtplugins/openbabel/openbabel.cpp:744 +#: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 +#: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "Add hydrogens for pH" msgstr "Engadir hidróxenos para o pH" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "pH:" msgstr "pH" -#: qtplugins/openbabel/openbabel.cpp:681 qtplugins/openbabel/openbabel.cpp:723 +#: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:717 +#: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:722 +#: qtplugins/openbabel/openbabel.cpp:724 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Eliminar hidróxenos" -#: qtplugins/openbabel/openbabel.cpp:731 +#: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:754 +#: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:817 +#: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." @@ -3725,7 +3839,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) -#: qtplugins/openmminput/openmminputdialog.cpp:497:1162 +#: qtplugins/openmminput/openmminputdialog.cpp:497:1201 msgid "input.prmtop" msgstr "" @@ -3755,7 +3869,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 -#: qtplugins/openmminput/openmminputdialog.cpp:1069:1279 rc.cpp:1294 +#: qtplugins/openmminput/openmminputdialog.cpp:1069:1318 rc.cpp:1333 msgid "True" msgstr "" @@ -3801,7 +3915,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1636 +#: qtplugins/playertool/playertool.cpp:113:1675 #, fuzzy msgid "Frame:" msgstr "Parámetros:" @@ -3835,7 +3949,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:854 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 msgid "GIF (*.gif)" msgstr "" @@ -3852,18 +3966,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "ficheiros de vídeo (*.avi)" -#: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:882 -#: qtplugins/surfaces/surfaces.cpp:926 qtplugins/surfaces/surfaces.cpp:938 -#: qtplugins/yaehmop/yaehmop.cpp:534 -msgid "Avogadro" -msgstr "Avogadro" - -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:927 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4317,14 +4424,20 @@ msgstr "" msgid "Generate input for quantum codes." msgstr "" -#: qtplugins/resetview/resetview.cpp:37 +#: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" -#: qtplugins/resetview/resetview.cpp:38 +#: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" +#: qtplugins/resetview/resetview.cpp:52 +#, fuzzy +#| msgid "Align Settings" +msgid "Align view to axes." +msgstr "Configuración do aliñamento" + #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" @@ -4471,7 +4584,7 @@ msgstr "Escoller segundo o residuo..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1675 +#: qtplugins/select/select.h:30:1714 #, fuzzy msgid "Select" msgstr "&Escoller" @@ -4507,43 +4620,47 @@ msgstr "" msgid "New Layer" msgstr "Nova etiqueta:" -#: qtplugins/spacegroup/spacegroup.cpp:49 +#: qtplugins/spacegroup/spacegroup.cpp:50 #, fuzzy msgid "Perceive Space Group…" msgstr "Percepción do espazo de grupo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:67:1660 +#: qtplugins/spacegroup/spacegroup.cpp:68:1699 msgid "Symmetrize" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:72 +#: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Encher a cela unidade" -#: qtplugins/spacegroup/spacegroup.cpp:77 -#: qtplugins/spacegroup/spacegroup.cpp:294 +#: qtplugins/spacegroup/spacegroup.cpp:78 +#: qtplugins/spacegroup/spacegroup.cpp:315 msgid "Reduce to Asymmetric Unit" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:83 +#: qtplugins/spacegroup/spacegroup.cpp:84 #, fuzzy msgid "Set Tolerance…" msgstr "Tipo de tolerancia SCF :" -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "Space Group" msgstr "Espazo de &grupo" -#: qtplugins/spacegroup/spacegroup.cpp:178 +#: qtplugins/spacegroup/spacegroup.cpp:112 +msgid "Fill symmetric atoms based on the crystal space group." +msgstr "" + +#: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:179 +#: qtplugins/spacegroup/spacegroup.cpp:200 #, fuzzy msgid "" "Space group perception failed.\n" @@ -4553,61 +4670,61 @@ msgstr "" "\n" "Gustaríalle tentalo de novo cunha tolerancia diferente?" -#: qtplugins/spacegroup/spacegroup.cpp:194 +#: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:195 -#: qtplugins/spacegroup/spacegroup.cpp:220 -#: qtplugins/spacegroup/spacegroup.cpp:245 +#: qtplugins/spacegroup/spacegroup.cpp:216 +#: qtplugins/spacegroup/spacegroup.cpp:241 +#: qtplugins/spacegroup/spacegroup.cpp:266 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:208 +#: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:233 +#: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:257 +#: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:315 qtplugins/yaehmop/yaehmop.cpp:209 +#: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro" -#: qtplugins/spacegroup/spacegroup.cpp:316 +#: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hall" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hermann-Mauguin" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:345 +#: qtplugins/spacegroup/spacegroup.cpp:366 #, fuzzy msgid "Select Space Group" msgstr "Estabelecer o espazo de grupo" @@ -4617,7 +4734,7 @@ msgstr "Estabelecer o espazo de grupo" msgid "SpaceGroup" msgstr "Espazo de &grupo" -#: qtplugins/spacegroup/spacegroup.h:65 +#: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" @@ -4739,31 +4856,31 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:567 +#: qtplugins/surfaces/surfaces.cpp:568 #, fuzzy msgid "Calculating electron density" msgstr "Calculando a densidade electrónica" -#: qtplugins/surfaces/surfaces.cpp:576 +#: qtplugins/surfaces/surfaces.cpp:577 #, fuzzy msgid "Calculating spin density" msgstr "Calculando a densidade electrónica" -#: qtplugins/surfaces/surfaces.cpp:585 +#: qtplugins/surfaces/surfaces.cpp:586 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:831 qtplugins/surfaces/surfaces.cpp:859 +#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:833 +#: qtplugins/surfaces/surfaces.cpp:834 #, fuzzy msgid "Export Movie" msgstr "Exportar a imaxe" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:835 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4803,7 +4920,7 @@ msgstr "Simetria" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1645 +#: qtplugins/symmetry/symmetry.h:34:1684 msgid "Symmetry" msgstr "Simetria" @@ -5645,6 +5762,85 @@ msgstr "Elemento:" msgid "Bond Order:" msgstr "Orde do enlace:" +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) +msgid "Geometry Optimization Parameters" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +msgid "Convergence Criteria" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label_2) +msgid "Energy convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 +#. i18n: ectx: property (text), widget (QLabel, label_5) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 +#. i18n: ectx: property (text), widget (QLabel, label_5) +msgid "Step limit:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 +#. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +msgid " units" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 +#. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +msgid "10^" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 +#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +msgid " steps" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QLabel, label_4) +msgid "Gradient convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +msgid "Optimization Method" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 +#. i18n: ectx: property (text), widget (QLabel, label) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Force field:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +msgid "Autodetect" +msgstr "" + #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" @@ -6476,21 +6672,6 @@ msgstr "&Optimizar a xeometría" msgid "TODO" msgstr "POR FACER" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) -msgid "Geometry Optimization Parameters" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) -msgid "Optimization Method" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Force field:" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" @@ -6521,11 +6702,6 @@ msgstr "" msgid "Newton's Method" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 -#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) -msgid "Autodetect" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" @@ -6553,38 +6729,11 @@ msgstr "" msgid "Å" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 -#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 -#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) -msgid " steps" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) -msgid "Convergence Criteria" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 -#. i18n: ectx: property (text), widget (QLabel, label_5) -msgid "Step limit:" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 -#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) -msgid " units" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 -#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) -msgid "10^" -msgstr "" - #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" @@ -8310,15 +8459,9 @@ msgstr "" #~ "Non se pode definir para esta molécula os campo de forzas escollido. " #~ "Múdase para UFF." -#~ msgid "Energy = %L1 %2" -#~ msgstr "Enerxía = %L1 %2" - #~ msgid "Geometric Optimization" #~ msgstr "Optimización da xeometría" -#~ msgid "Forcefield Optimization" -#~ msgstr "Optimización do campo de forzas" - #~ msgid "Systematic Rotor Search" #~ msgstr "Busca sistemática de rotores" @@ -9754,9 +9897,6 @@ msgstr "" #~ msgid "Setup Force Field" #~ msgstr "Configurar o campo de forzas" -#~ msgid "Force Field" -#~ msgstr "Campo de forzas" - #~ msgid "Ghemical" #~ msgstr "Ghemical" @@ -10674,9 +10814,6 @@ msgstr "" #~ msgid "Gradient" #~ msgstr "Gradiente" -#~ msgid "Optimization" -#~ msgstr "Optimización" - #~ msgid "Trudge" #~ msgstr "Marcha" @@ -11566,6 +11703,3 @@ msgstr "" #~ msgid "Z Matrix Editor" #~ msgstr "Editor da matriz Z" - -#~ msgid "Import Selected Atoms" -#~ msgstr "Importar os átomos escollidos" diff --git a/i18n/he.po b/i18n/he.po index 47a518d5ff..e48b0318cd 100644 --- a/i18n/he.po +++ b/i18n/he.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-15 02:02+0000\n" +"POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2016-06-10 06:32+0000\n" "Last-Translator: Avogadro Team \n" "Language-Team: Hebrew \n" @@ -487,7 +487,7 @@ msgstr "בור" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1708 +#: qtgui/elementtranslator.cpp:34:1747 msgid "Carbon" msgstr "פחמן" @@ -569,13 +569,13 @@ msgstr "מנגן" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1711 +#: qtgui/elementtranslator.cpp:94:1750 msgid "Iron" msgstr "ברזל" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1714 +#: qtgui/elementtranslator.cpp:97:1753 msgid "Cobalt" msgstr "קובלט" @@ -1059,7 +1059,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) -#: qtgui/jsonwidget.cpp:177:627 +#: qtgui/jsonwidget.cpp:177:666 msgid "Title" msgstr "" @@ -1244,27 +1244,27 @@ msgstr "" msgid "Warning '%1'" msgstr "" -#: qtgui/pythonscript.cpp:238 +#: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" -#: qtgui/pythonscript.cpp:241 +#: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" -#: qtgui/pythonscript.cpp:244 +#: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" -#: qtgui/pythonscript.cpp:247 +#: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" -#: qtgui/pythonscript.cpp:250 +#: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" -#: qtgui/pythonscript.cpp:254 +#: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" @@ -1295,7 +1295,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1528 +#: qtplugins/selectiontool/selectiontool.cpp:252:1567 msgid "Change Layer" msgstr "" @@ -1402,16 +1402,16 @@ msgstr "" msgid "Rotate to Standard Orientation" msgstr "" -#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:55 +#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" -#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:61 -#: qtplugins/spacegroup/spacegroup.cpp:219 +#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 +#: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" msgstr "" -#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:244 +#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 msgid "Symmetrize Cell" msgstr "" @@ -1607,14 +1607,14 @@ msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/openbabel/openbabel.cpp:204 qtplugins/openbabel/openbabel.cpp:213 -#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:360 -#: qtplugins/openbabel/openbabel.cpp:386 qtplugins/openbabel/openbabel.cpp:395 -#: qtplugins/openbabel/openbabel.cpp:449 qtplugins/openbabel/openbabel.cpp:499 -#: qtplugins/openbabel/openbabel.cpp:512 qtplugins/openbabel/openbabel.cpp:537 -#: qtplugins/openbabel/openbabel.cpp:551 qtplugins/openbabel/openbabel.cpp:580 -#: qtplugins/openbabel/openbabel.cpp:592 qtplugins/openbabel/openbabel.cpp:638 -#: qtplugins/openbabel/openbabel.cpp:688 qtplugins/openbabel/openbabel.cpp:730 -#: qtplugins/openbabel/openbabel.cpp:762 +#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:362 +#: qtplugins/openbabel/openbabel.cpp:388 qtplugins/openbabel/openbabel.cpp:397 +#: qtplugins/openbabel/openbabel.cpp:451 qtplugins/openbabel/openbabel.cpp:501 +#: qtplugins/openbabel/openbabel.cpp:514 qtplugins/openbabel/openbabel.cpp:539 +#: qtplugins/openbabel/openbabel.cpp:553 qtplugins/openbabel/openbabel.cpp:582 +#: qtplugins/openbabel/openbabel.cpp:594 qtplugins/openbabel/openbabel.cpp:640 +#: qtplugins/openbabel/openbabel.cpp:690 qtplugins/openbabel/openbabel.cpp:732 +#: qtplugins/openbabel/openbabel.cpp:764 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/quantuminput/quantuminput.cpp:111 msgid "Error" @@ -1692,25 +1692,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:734 +#: qtplugins/surfaces/surfaces.cpp:735 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:736 +#: qtplugins/surfaces/surfaces.cpp:737 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:738 +#: qtplugins/surfaces/surfaces.cpp:739 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:740 +#: qtplugins/surfaces/surfaces.cpp:741 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1718,7 +1718,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:742 +#: qtplugins/surfaces/surfaces.cpp:743 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1726,7 +1726,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:744 +#: qtplugins/surfaces/surfaces.cpp:745 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1734,7 +1734,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:746 +#: qtplugins/surfaces/surfaces.cpp:747 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1742,7 +1742,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:748 +#: qtplugins/surfaces/surfaces.cpp:749 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1750,7 +1750,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:750 +#: qtplugins/surfaces/surfaces.cpp:751 msgctxt "colormap" msgid "Cividis" msgstr "" @@ -1762,7 +1762,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:752:171 rc.cpp:1576 +#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" @@ -1772,7 +1772,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:754:168 rc.cpp:1573 +#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1782,7 +1782,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:756:162 rc.cpp:1567 +#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" @@ -1792,7 +1792,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:758:165 rc.cpp:1570 +#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1804,7 +1804,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1579 +#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1816,7 +1816,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 -#: qtplugins/resetview/resetview.cpp:57 +#: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "" @@ -1840,7 +1840,7 @@ msgstr "בחר צבע לתוויות אטומים" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1564 +#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 msgid "Colormap:" msgstr "" @@ -1951,6 +1951,18 @@ msgstr "" msgid "Bond" msgstr "" +#: qtplugins/bonding/bonding.cpp:74 +msgid "Remove bonds from all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:76 +msgid "Create bonds between all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:77 +msgid "Perceive bond orders." +msgstr "" + #: qtplugins/bonding/bonding.h:32 msgid "Bonding" msgstr "" @@ -2087,6 +2099,7 @@ msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 +#: qtplugins/forcefield/forcefield.cpp:126 #: qtplugins/openbabel/openbabel.cpp:107 #: qtplugins/plugindownloader/plugindownloader.cpp:40 #: qtplugins/quantuminput/quantuminput.cpp:69 qtplugins/yaehmop/yaehmop.cpp:112 @@ -2261,7 +2274,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1606 rc.cpp:1633 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 msgid "Custom" msgstr "" @@ -2405,6 +2418,7 @@ msgid "Generate input for CP2K." msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 +#: qtplugins/forcefield/forcefield.cpp:83 msgid "Energy" msgstr "" @@ -2439,13 +2453,13 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:680 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:719 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1252 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1291 msgid "PME" msgstr "" @@ -2555,7 +2569,7 @@ msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" @@ -2571,11 +2585,19 @@ msgstr "" msgid "Import Crystal from Clipboard" msgstr "" -#: qtplugins/crystal/crystal.cpp:193 +#: qtplugins/crystal/crystal.cpp:175 +msgid "Wrap atoms into the unit cell." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:177 +msgid "Rotate the unit cell to the standard orientation." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" -#: qtplugins/crystal/crystal.cpp:194 +#: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" @@ -2583,7 +2605,7 @@ msgstr "" msgid "Crystal" msgstr "" -#: qtplugins/crystal/crystal.h:64 +#: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" @@ -2667,7 +2689,7 @@ msgstr "" #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#: qtplugins/editor/editortoolwidget.cpp:208:1585 rc.cpp:1603 +#: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" msgstr "" @@ -2758,6 +2780,91 @@ msgstr "" msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" +#: qtplugins/forcefield/forcefield.cpp:75 +msgid "Optimize" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:91 +msgid "Configure…" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:103 +#, fuzzy +#| msgid "Select Atom Labels Color" +msgid "Freeze Selected Atoms" +msgstr "בחר צבע לתוויות אטומים" + +#: qtplugins/forcefield/forcefield.cpp:110 +#, fuzzy +#| msgid "Select Atom Labels Color" +msgid "Unfreeze Selected Atoms" +msgstr "בחר צבע לתוויות אטומים" + +#: qtplugins/forcefield/forcefield.cpp:126 +msgid "&Calculate" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/openbabel/openbabel.cpp:525 +msgid "Optimize Geometry" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:328 +#, qt-format +msgid "%1 Energy = %L2" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/playertool/playertool.cpp:343 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 +#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/yaehmop/yaehmop.cpp:534 +msgid "Avogadro" +msgstr "אבוגדרו" + +#: qtplugins/forcefield/forcefield.h:46 +msgid "Forcefield optimization" +msgstr "" + +#: qtplugins/forcefield/forcefield.h:50 +msgid "Forcefield minimization, including scripts" +msgstr "" + +#: qtplugins/forcefield/forcefielddialog.cpp:119 +#: qtplugins/openbabel/obforcefielddialog.cpp:319 +#, qt-format +msgid "Autodetect (%1)" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:77 +msgid "Universal Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:82 +msgid "Generalized Amber Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:96 +msgid "Merck Molecular Force Field 94" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:238 +#, qt-format +msgid "Error retrieving metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:248 +#, qt-format +msgid "Error parsing metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:256 +#, qt-format +msgid "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" +msgstr "" + #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" @@ -2910,7 +3017,7 @@ msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:561 +#: qtplugins/insertdna/insertdna.cpp:168:600 msgid "Thymine" msgstr "" @@ -2918,7 +3025,7 @@ msgstr "" #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 -#: qtplugins/lineformatinput/lineformatinput.cpp:123:982 +#: qtplugins/lineformatinput/lineformatinput.cpp:123:1021 msgid "Insert Molecule…" msgstr "" @@ -2984,7 +3091,7 @@ msgstr "צבע על פי מרחק" #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1261 +#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" msgstr "" @@ -3167,7 +3274,7 @@ msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) -#: qtplugins/meshes/meshes.cpp:170:1519 +#: qtplugins/meshes/meshes.cpp:170:1558 msgid "Opacity:" msgstr "" @@ -3186,7 +3293,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:243 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3198,7 +3305,7 @@ msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::MolecularPropertiesDialog) -#: qtplugins/molecularproperties/molecularproperties.h:31:1042 +#: qtplugins/molecularproperties/molecularproperties.h:31:1081 msgid "Molecular Properties" msgstr "" @@ -3221,35 +3328,35 @@ msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1072 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 msgid "Molecule Name:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1048 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1087 msgid "Molecular Mass (g/mol):" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:221 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1054 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1093 msgid "Chemical Formula:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:63 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:223 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1060 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1099 msgid "Number of Atoms:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_8) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:225 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1066 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1105 msgid "Number of Bonds:" msgstr "" @@ -3314,15 +3421,6 @@ msgstr "מימן" msgid "Chalcogen" msgstr "" -#: qtplugins/openbabel/obforcefielddialog.cpp:319 -#, qt-format -msgid "Autodetect (%1)" -msgstr "" - -#: qtplugins/openbabel/openbabel.cpp:45 qtplugins/openbabel/openbabel.cpp:523 -msgid "Optimize Geometry" -msgstr "" - #: qtplugins/openbabel/openbabel.cpp:52 msgid "Configure Force Field…" msgstr "" @@ -3368,42 +3466,42 @@ msgstr "" msgid "Error parsing openbabel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:361 qtplugins/openbabel/openbabel.cpp:396 +#: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:387 +#: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:405 +#: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:430 +#: qtplugins/openbabel/openbabel.cpp:432 msgid "Optimizing Geometry (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:431 +#: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:450 +#: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:456 +#: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:470 qtplugins/openbabel/openbabel.cpp:478 +#: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format msgid "" "Step %1 of %2\n" @@ -3411,102 +3509,102 @@ msgid "" "dE: %4" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:492 +#: qtplugins/openbabel/openbabel.cpp:494 msgid "Updating molecule…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:500 qtplugins/openbabel/openbabel.cpp:581 -#: qtplugins/openbabel/openbabel.cpp:763 +#: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 +#: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:513 qtplugins/openbabel/openbabel.cpp:593 +#: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:532 +#: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:538 +#: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:544 +#: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:545 +#: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:552 +#: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:563 +#: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:573 +#: qtplugins/openbabel/openbabel.cpp:575 msgid "Updating molecule from Open Babel…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:625 qtplugins/openbabel/openbabel.cpp:667 +#: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:630 qtplugins/openbabel/openbabel.cpp:680 +#: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 msgid "Adding Hydrogens (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:631 +#: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:639 qtplugins/openbabel/openbabel.cpp:689 +#: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:652 qtplugins/openbabel/openbabel.cpp:702 -#: qtplugins/openbabel/openbabel.cpp:744 +#: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 +#: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 msgid "Add hydrogens for pH" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 msgid "pH:" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:681 qtplugins/openbabel/openbabel.cpp:723 +#: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:717 +#: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:722 +#: qtplugins/openbabel/openbabel.cpp:724 msgid "Removing Hydrogens (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:731 +#: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:754 +#: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:817 +#: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." @@ -3556,7 +3654,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) -#: qtplugins/openmminput/openmminputdialog.cpp:497:1162 +#: qtplugins/openmminput/openmminputdialog.cpp:497:1201 msgid "input.prmtop" msgstr "" @@ -3586,7 +3684,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 -#: qtplugins/openmminput/openmminputdialog.cpp:1069:1279 rc.cpp:1294 +#: qtplugins/openmminput/openmminputdialog.cpp:1069:1318 rc.cpp:1333 msgid "True" msgstr "" @@ -3629,7 +3727,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1636 +#: qtplugins/playertool/playertool.cpp:113:1675 msgid "Frame:" msgstr "" @@ -3661,7 +3759,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:854 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 msgid "GIF (*.gif)" msgstr "" @@ -3678,18 +3776,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "קבצי וידאו (*.avi)" -#: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:882 -#: qtplugins/surfaces/surfaces.cpp:926 qtplugins/surfaces/surfaces.cpp:938 -#: qtplugins/yaehmop/yaehmop.cpp:534 -msgid "Avogadro" -msgstr "אבוגדרו" - -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:927 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4109,14 +4200,18 @@ msgstr "" msgid "Generate input for quantum codes." msgstr "" -#: qtplugins/resetview/resetview.cpp:37 +#: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" -#: qtplugins/resetview/resetview.cpp:38 +#: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" +#: qtplugins/resetview/resetview.cpp:52 +msgid "Align view to axes." +msgstr "" + #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" @@ -4245,7 +4340,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1675 +#: qtplugins/select/select.h:30:1714 msgid "Select" msgstr "" @@ -4279,98 +4374,102 @@ msgstr "" msgid "New Layer" msgstr "מימן" -#: qtplugins/spacegroup/spacegroup.cpp:49 +#: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:67:1660 +#: qtplugins/spacegroup/spacegroup.cpp:68:1699 msgid "Symmetrize" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:72 +#: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:77 -#: qtplugins/spacegroup/spacegroup.cpp:294 +#: qtplugins/spacegroup/spacegroup.cpp:78 +#: qtplugins/spacegroup/spacegroup.cpp:315 msgid "Reduce to Asymmetric Unit" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:83 +#: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:178 +#: qtplugins/spacegroup/spacegroup.cpp:112 +msgid "Fill symmetric atoms based on the crystal space group." +msgstr "" + +#: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:179 +#: qtplugins/spacegroup/spacegroup.cpp:200 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:194 +#: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:195 -#: qtplugins/spacegroup/spacegroup.cpp:220 -#: qtplugins/spacegroup/spacegroup.cpp:245 +#: qtplugins/spacegroup/spacegroup.cpp:216 +#: qtplugins/spacegroup/spacegroup.cpp:241 +#: qtplugins/spacegroup/spacegroup.cpp:266 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:208 +#: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:233 +#: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:257 +#: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:315 qtplugins/yaehmop/yaehmop.cpp:209 +#: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "אבוגדרו" -#: qtplugins/spacegroup/spacegroup.cpp:316 +#: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hall" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hermann-Mauguin" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:345 +#: qtplugins/spacegroup/spacegroup.cpp:366 msgid "Select Space Group" msgstr "" @@ -4378,7 +4477,7 @@ msgstr "" msgid "SpaceGroup" msgstr "" -#: qtplugins/spacegroup/spacegroup.h:65 +#: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" @@ -4488,28 +4587,28 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:567 +#: qtplugins/surfaces/surfaces.cpp:568 msgid "Calculating electron density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:576 +#: qtplugins/surfaces/surfaces.cpp:577 msgid "Calculating spin density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:585 +#: qtplugins/surfaces/surfaces.cpp:586 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:831 qtplugins/surfaces/surfaces.cpp:859 +#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:833 +#: qtplugins/surfaces/surfaces.cpp:834 msgid "Export Movie" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:835 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4547,7 +4646,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1645 +#: qtplugins/symmetry/symmetry.h:34:1684 msgid "Symmetry" msgstr "" @@ -5370,6 +5469,85 @@ msgstr "" msgid "Bond Order:" msgstr "" +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) +msgid "Geometry Optimization Parameters" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +msgid "Convergence Criteria" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label_2) +msgid "Energy convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 +#. i18n: ectx: property (text), widget (QLabel, label_5) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 +#. i18n: ectx: property (text), widget (QLabel, label_5) +msgid "Step limit:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 +#. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +msgid " units" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 +#. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +msgid "10^" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 +#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +msgid " steps" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QLabel, label_4) +msgid "Gradient convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +msgid "Optimization Method" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 +#. i18n: ectx: property (text), widget (QLabel, label) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Force field:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +msgid "Autodetect" +msgstr "" + #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" @@ -6164,21 +6342,6 @@ msgstr "" msgid "TODO" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) -msgid "Geometry Optimization Parameters" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) -msgid "Optimization Method" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Force field:" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" @@ -6209,11 +6372,6 @@ msgstr "" msgid "Newton's Method" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 -#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) -msgid "Autodetect" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" @@ -6241,38 +6399,11 @@ msgstr "" msgid "Å" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 -#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 -#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) -msgid " steps" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) -msgid "Convergence Criteria" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 -#. i18n: ectx: property (text), widget (QLabel, label_5) -msgid "Step limit:" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 -#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) -msgid " units" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 -#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) -msgid "10^" -msgstr "" - #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" diff --git a/i18n/hi.po b/i18n/hi.po index f84a3f5c20..a5ad47840e 100644 --- a/i18n/hi.po +++ b/i18n/hi.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-15 02:02+0000\n" +"POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2016-06-10 06:33+0000\n" "Last-Translator: Rahul Krishna \n" "Language-Team: Hindi \n" @@ -487,7 +487,7 @@ msgstr "बोरॉन" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1708 +#: qtgui/elementtranslator.cpp:34:1747 msgid "Carbon" msgstr "कार्बन" @@ -569,13 +569,13 @@ msgstr "मैंगनीज़" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1711 +#: qtgui/elementtranslator.cpp:94:1750 msgid "Iron" msgstr "लोहा" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1714 +#: qtgui/elementtranslator.cpp:97:1753 msgid "Cobalt" msgstr "कोबॉल्ट" @@ -1059,7 +1059,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) -#: qtgui/jsonwidget.cpp:177:627 +#: qtgui/jsonwidget.cpp:177:666 msgid "Title" msgstr "" @@ -1240,27 +1240,27 @@ msgstr "" msgid "Warning '%1'" msgstr "" -#: qtgui/pythonscript.cpp:238 +#: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" -#: qtgui/pythonscript.cpp:241 +#: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" -#: qtgui/pythonscript.cpp:244 +#: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" -#: qtgui/pythonscript.cpp:247 +#: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" -#: qtgui/pythonscript.cpp:250 +#: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" -#: qtgui/pythonscript.cpp:254 +#: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" @@ -1291,7 +1291,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1528 +#: qtplugins/selectiontool/selectiontool.cpp:252:1567 msgid "Change Layer" msgstr "" @@ -1398,16 +1398,16 @@ msgstr "" msgid "Rotate to Standard Orientation" msgstr "" -#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:55 +#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" -#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:61 -#: qtplugins/spacegroup/spacegroup.cpp:219 +#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 +#: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" msgstr "" -#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:244 +#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 msgid "Symmetrize Cell" msgstr "" @@ -1600,14 +1600,14 @@ msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/openbabel/openbabel.cpp:204 qtplugins/openbabel/openbabel.cpp:213 -#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:360 -#: qtplugins/openbabel/openbabel.cpp:386 qtplugins/openbabel/openbabel.cpp:395 -#: qtplugins/openbabel/openbabel.cpp:449 qtplugins/openbabel/openbabel.cpp:499 -#: qtplugins/openbabel/openbabel.cpp:512 qtplugins/openbabel/openbabel.cpp:537 -#: qtplugins/openbabel/openbabel.cpp:551 qtplugins/openbabel/openbabel.cpp:580 -#: qtplugins/openbabel/openbabel.cpp:592 qtplugins/openbabel/openbabel.cpp:638 -#: qtplugins/openbabel/openbabel.cpp:688 qtplugins/openbabel/openbabel.cpp:730 -#: qtplugins/openbabel/openbabel.cpp:762 +#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:362 +#: qtplugins/openbabel/openbabel.cpp:388 qtplugins/openbabel/openbabel.cpp:397 +#: qtplugins/openbabel/openbabel.cpp:451 qtplugins/openbabel/openbabel.cpp:501 +#: qtplugins/openbabel/openbabel.cpp:514 qtplugins/openbabel/openbabel.cpp:539 +#: qtplugins/openbabel/openbabel.cpp:553 qtplugins/openbabel/openbabel.cpp:582 +#: qtplugins/openbabel/openbabel.cpp:594 qtplugins/openbabel/openbabel.cpp:640 +#: qtplugins/openbabel/openbabel.cpp:690 qtplugins/openbabel/openbabel.cpp:732 +#: qtplugins/openbabel/openbabel.cpp:764 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/quantuminput/quantuminput.cpp:111 msgid "Error" @@ -1684,25 +1684,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:734 +#: qtplugins/surfaces/surfaces.cpp:735 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:736 +#: qtplugins/surfaces/surfaces.cpp:737 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:738 +#: qtplugins/surfaces/surfaces.cpp:739 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:740 +#: qtplugins/surfaces/surfaces.cpp:741 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1710,7 +1710,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:742 +#: qtplugins/surfaces/surfaces.cpp:743 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1718,7 +1718,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:744 +#: qtplugins/surfaces/surfaces.cpp:745 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1726,7 +1726,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:746 +#: qtplugins/surfaces/surfaces.cpp:747 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1734,7 +1734,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:748 +#: qtplugins/surfaces/surfaces.cpp:749 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1742,7 +1742,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:750 +#: qtplugins/surfaces/surfaces.cpp:751 msgctxt "colormap" msgid "Cividis" msgstr "" @@ -1754,7 +1754,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:752:171 rc.cpp:1576 +#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" @@ -1764,7 +1764,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:754:168 rc.cpp:1573 +#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1774,7 +1774,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:756:162 rc.cpp:1567 +#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" @@ -1784,7 +1784,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:758:165 rc.cpp:1570 +#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1796,7 +1796,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1579 +#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1808,7 +1808,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 -#: qtplugins/resetview/resetview.cpp:57 +#: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "" @@ -1830,7 +1830,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1564 +#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 msgid "Colormap:" msgstr "" @@ -1939,6 +1939,18 @@ msgstr "" msgid "Bond" msgstr "" +#: qtplugins/bonding/bonding.cpp:74 +msgid "Remove bonds from all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:76 +msgid "Create bonds between all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:77 +msgid "Perceive bond orders." +msgstr "" + #: qtplugins/bonding/bonding.h:32 msgid "Bonding" msgstr "" @@ -2072,6 +2084,7 @@ msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 +#: qtplugins/forcefield/forcefield.cpp:126 #: qtplugins/openbabel/openbabel.cpp:107 #: qtplugins/plugindownloader/plugindownloader.cpp:40 #: qtplugins/quantuminput/quantuminput.cpp:69 qtplugins/yaehmop/yaehmop.cpp:112 @@ -2245,7 +2258,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1606 rc.cpp:1633 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 msgid "Custom" msgstr "" @@ -2389,6 +2402,7 @@ msgid "Generate input for CP2K." msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 +#: qtplugins/forcefield/forcefield.cpp:83 msgid "Energy" msgstr "" @@ -2423,13 +2437,13 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:680 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:719 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1252 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1291 msgid "PME" msgstr "" @@ -2539,7 +2553,7 @@ msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" @@ -2555,11 +2569,19 @@ msgstr "" msgid "Import Crystal from Clipboard" msgstr "" -#: qtplugins/crystal/crystal.cpp:193 +#: qtplugins/crystal/crystal.cpp:175 +msgid "Wrap atoms into the unit cell." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:177 +msgid "Rotate the unit cell to the standard orientation." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" -#: qtplugins/crystal/crystal.cpp:194 +#: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" @@ -2567,7 +2589,7 @@ msgstr "" msgid "Crystal" msgstr "" -#: qtplugins/crystal/crystal.h:64 +#: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" @@ -2651,7 +2673,7 @@ msgstr "" #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#: qtplugins/editor/editortoolwidget.cpp:208:1585 rc.cpp:1603 +#: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" msgstr "" @@ -2742,6 +2764,87 @@ msgstr "" msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" +#: qtplugins/forcefield/forcefield.cpp:75 +msgid "Optimize" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:91 +msgid "Configure…" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:103 +msgid "Freeze Selected Atoms" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:110 +msgid "Unfreeze Selected Atoms" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:126 +msgid "&Calculate" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/openbabel/openbabel.cpp:525 +msgid "Optimize Geometry" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:328 +#, qt-format +msgid "%1 Energy = %L2" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/playertool/playertool.cpp:343 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 +#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/yaehmop/yaehmop.cpp:534 +msgid "Avogadro" +msgstr "" + +#: qtplugins/forcefield/forcefield.h:46 +msgid "Forcefield optimization" +msgstr "" + +#: qtplugins/forcefield/forcefield.h:50 +msgid "Forcefield minimization, including scripts" +msgstr "" + +#: qtplugins/forcefield/forcefielddialog.cpp:119 +#: qtplugins/openbabel/obforcefielddialog.cpp:319 +#, qt-format +msgid "Autodetect (%1)" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:77 +msgid "Universal Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:82 +msgid "Generalized Amber Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:96 +msgid "Merck Molecular Force Field 94" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:238 +#, qt-format +msgid "Error retrieving metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:248 +#, qt-format +msgid "Error parsing metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:256 +#, qt-format +msgid "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" +msgstr "" + #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" @@ -2894,7 +2997,7 @@ msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:561 +#: qtplugins/insertdna/insertdna.cpp:168:600 msgid "Thymine" msgstr "" @@ -2902,7 +3005,7 @@ msgstr "" #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 -#: qtplugins/lineformatinput/lineformatinput.cpp:123:982 +#: qtplugins/lineformatinput/lineformatinput.cpp:123:1021 msgid "Insert Molecule…" msgstr "" @@ -2968,7 +3071,7 @@ msgstr "दूरी के अनुसार रंग" #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1261 +#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" msgstr "" @@ -3149,7 +3252,7 @@ msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) -#: qtplugins/meshes/meshes.cpp:170:1519 +#: qtplugins/meshes/meshes.cpp:170:1558 msgid "Opacity:" msgstr "" @@ -3168,7 +3271,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:243 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3180,7 +3283,7 @@ msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::MolecularPropertiesDialog) -#: qtplugins/molecularproperties/molecularproperties.h:31:1042 +#: qtplugins/molecularproperties/molecularproperties.h:31:1081 msgid "Molecular Properties" msgstr "" @@ -3203,35 +3306,35 @@ msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1072 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 msgid "Molecule Name:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1048 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1087 msgid "Molecular Mass (g/mol):" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:221 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1054 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1093 msgid "Chemical Formula:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:63 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:223 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1060 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1099 msgid "Number of Atoms:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_8) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:225 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1066 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1105 msgid "Number of Bonds:" msgstr "" @@ -3296,15 +3399,6 @@ msgstr "हाइड्रोजन" msgid "Chalcogen" msgstr "" -#: qtplugins/openbabel/obforcefielddialog.cpp:319 -#, qt-format -msgid "Autodetect (%1)" -msgstr "" - -#: qtplugins/openbabel/openbabel.cpp:45 qtplugins/openbabel/openbabel.cpp:523 -msgid "Optimize Geometry" -msgstr "" - #: qtplugins/openbabel/openbabel.cpp:52 msgid "Configure Force Field…" msgstr "" @@ -3350,42 +3444,42 @@ msgstr "" msgid "Error parsing openbabel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:361 qtplugins/openbabel/openbabel.cpp:396 +#: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:387 +#: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:405 +#: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:430 +#: qtplugins/openbabel/openbabel.cpp:432 msgid "Optimizing Geometry (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:431 +#: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:450 +#: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:456 +#: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:470 qtplugins/openbabel/openbabel.cpp:478 +#: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format msgid "" "Step %1 of %2\n" @@ -3393,102 +3487,102 @@ msgid "" "dE: %4" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:492 +#: qtplugins/openbabel/openbabel.cpp:494 msgid "Updating molecule…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:500 qtplugins/openbabel/openbabel.cpp:581 -#: qtplugins/openbabel/openbabel.cpp:763 +#: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 +#: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:513 qtplugins/openbabel/openbabel.cpp:593 +#: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:532 +#: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:538 +#: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:544 +#: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:545 +#: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:552 +#: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:563 +#: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:573 +#: qtplugins/openbabel/openbabel.cpp:575 msgid "Updating molecule from Open Babel…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:625 qtplugins/openbabel/openbabel.cpp:667 +#: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:630 qtplugins/openbabel/openbabel.cpp:680 +#: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 msgid "Adding Hydrogens (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:631 +#: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:639 qtplugins/openbabel/openbabel.cpp:689 +#: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:652 qtplugins/openbabel/openbabel.cpp:702 -#: qtplugins/openbabel/openbabel.cpp:744 +#: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 +#: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 msgid "Add hydrogens for pH" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 msgid "pH:" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:681 qtplugins/openbabel/openbabel.cpp:723 +#: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:717 +#: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:722 +#: qtplugins/openbabel/openbabel.cpp:724 msgid "Removing Hydrogens (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:731 +#: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:754 +#: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:817 +#: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." @@ -3538,7 +3632,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) -#: qtplugins/openmminput/openmminputdialog.cpp:497:1162 +#: qtplugins/openmminput/openmminputdialog.cpp:497:1201 msgid "input.prmtop" msgstr "" @@ -3568,7 +3662,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 -#: qtplugins/openmminput/openmminputdialog.cpp:1069:1279 rc.cpp:1294 +#: qtplugins/openmminput/openmminputdialog.cpp:1069:1318 rc.cpp:1333 msgid "True" msgstr "" @@ -3611,7 +3705,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1636 +#: qtplugins/playertool/playertool.cpp:113:1675 msgid "Frame:" msgstr "" @@ -3643,7 +3737,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:854 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 msgid "GIF (*.gif)" msgstr "" @@ -3659,18 +3753,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "" -#: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:882 -#: qtplugins/surfaces/surfaces.cpp:926 qtplugins/surfaces/surfaces.cpp:938 -#: qtplugins/yaehmop/yaehmop.cpp:534 -msgid "Avogadro" -msgstr "" - -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:927 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4087,14 +4174,18 @@ msgstr "" msgid "Generate input for quantum codes." msgstr "" -#: qtplugins/resetview/resetview.cpp:37 +#: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" -#: qtplugins/resetview/resetview.cpp:38 +#: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" +#: qtplugins/resetview/resetview.cpp:52 +msgid "Align view to axes." +msgstr "" + #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" @@ -4217,7 +4308,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1675 +#: qtplugins/select/select.h:30:1714 msgid "Select" msgstr "" @@ -4250,97 +4341,101 @@ msgstr "" msgid "New Layer" msgstr "हाइड्रोजन" -#: qtplugins/spacegroup/spacegroup.cpp:49 +#: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:67:1660 +#: qtplugins/spacegroup/spacegroup.cpp:68:1699 msgid "Symmetrize" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:72 +#: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:77 -#: qtplugins/spacegroup/spacegroup.cpp:294 +#: qtplugins/spacegroup/spacegroup.cpp:78 +#: qtplugins/spacegroup/spacegroup.cpp:315 msgid "Reduce to Asymmetric Unit" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:83 +#: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:178 +#: qtplugins/spacegroup/spacegroup.cpp:112 +msgid "Fill symmetric atoms based on the crystal space group." +msgstr "" + +#: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:179 +#: qtplugins/spacegroup/spacegroup.cpp:200 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:194 +#: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:195 -#: qtplugins/spacegroup/spacegroup.cpp:220 -#: qtplugins/spacegroup/spacegroup.cpp:245 +#: qtplugins/spacegroup/spacegroup.cpp:216 +#: qtplugins/spacegroup/spacegroup.cpp:241 +#: qtplugins/spacegroup/spacegroup.cpp:266 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:208 +#: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:233 +#: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:257 +#: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:315 qtplugins/yaehmop/yaehmop.cpp:209 +#: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:316 +#: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hall" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hermann-Mauguin" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:345 +#: qtplugins/spacegroup/spacegroup.cpp:366 msgid "Select Space Group" msgstr "" @@ -4348,7 +4443,7 @@ msgstr "" msgid "SpaceGroup" msgstr "" -#: qtplugins/spacegroup/spacegroup.h:65 +#: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" @@ -4456,28 +4551,28 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:567 +#: qtplugins/surfaces/surfaces.cpp:568 msgid "Calculating electron density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:576 +#: qtplugins/surfaces/surfaces.cpp:577 msgid "Calculating spin density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:585 +#: qtplugins/surfaces/surfaces.cpp:586 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:831 qtplugins/surfaces/surfaces.cpp:859 +#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:833 +#: qtplugins/surfaces/surfaces.cpp:834 msgid "Export Movie" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:835 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4515,7 +4610,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1645 +#: qtplugins/symmetry/symmetry.h:34:1684 msgid "Symmetry" msgstr "" @@ -5338,6 +5433,85 @@ msgstr "" msgid "Bond Order:" msgstr "" +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) +msgid "Geometry Optimization Parameters" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +msgid "Convergence Criteria" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label_2) +msgid "Energy convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 +#. i18n: ectx: property (text), widget (QLabel, label_5) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 +#. i18n: ectx: property (text), widget (QLabel, label_5) +msgid "Step limit:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 +#. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +msgid " units" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 +#. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +msgid "10^" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 +#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +msgid " steps" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QLabel, label_4) +msgid "Gradient convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +msgid "Optimization Method" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 +#. i18n: ectx: property (text), widget (QLabel, label) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Force field:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +msgid "Autodetect" +msgstr "" + #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" @@ -6132,21 +6306,6 @@ msgstr "" msgid "TODO" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) -msgid "Geometry Optimization Parameters" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) -msgid "Optimization Method" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Force field:" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" @@ -6177,11 +6336,6 @@ msgstr "" msgid "Newton's Method" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 -#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) -msgid "Autodetect" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" @@ -6209,38 +6363,11 @@ msgstr "" msgid "Å" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 -#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 -#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) -msgid " steps" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) -msgid "Convergence Criteria" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 -#. i18n: ectx: property (text), widget (QLabel, label_5) -msgid "Step limit:" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 -#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) -msgid " units" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 -#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) -msgid "10^" -msgstr "" - #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" diff --git a/i18n/hr.po b/i18n/hr.po index 057e5a95bf..3de2b8f0cd 100644 --- a/i18n/hr.po +++ b/i18n/hr.po @@ -6,7 +6,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-15 02:02+0000\n" +"POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-09-26 15:02+0000\n" "Last-Translator: Milo Ivir \n" "Language-Team: Croatian \n" "Language-Team: Hungarian

# - " "Atomi tárgymutató (1, 2, …, atomok száma)
Z - Atomszám (pl. „6” a szén esetében)
G - GAMESS-stílusú atomszám (pl. „6.0” a szén esetében)<" -"br/>N - Elem neve (pl. „Szén”)
S - Elem szimbólum (pl. \"C\" a " -"szén esetében)
L - Atomcímke (" -"pl. „C2” a második szénatom, „H1” az első hidrogén)
x - X pozíció koordináta
y - Y pozíció koordináta
z - Z pozíció koordináta
a - a-hálókoordináta (csak kristályok)
b - b-hálókoordináta (csak kristályok)
c - c-hálókoordináta (csak " -"kristályok)
_ - Szó szerinti " -"szóköz („ ”), hasznos az igazításhoz
0 - Szó szerinti 0 („0”), hasznos az optimalizálási zászlókhoz
1 - Szó szerinti 1 („1”), hasznos " -"az optimalizálási zászlókhoz

" +"weight:600;\">G - GAMESS-stílusú atomszám (pl. „6.0” a szén " +"esetében)
N - Elem neve (pl. " +"„Szén”)
S - Elem szimbólum (pl. " +"\"C\" a szén esetében)
L - " +"Atomcímke (pl. „C2” a második szénatom, „H1” az első hidrogén)
x - X pozíció koordináta
y - Y pozíció koordináta
z - Z pozíció koordináta
a - a-hálókoordináta (csak kristályok)
b - b-hálókoordináta (csak " +"kristályok)
c - c-" +"hálókoordináta (csak kristályok)
_ - Szó szerinti szóköz („ ”), hasznos az igazításhoz
0 - Szó szerinti 0 („0”), hasznos az " +"optimalizálási zászlókhoz
1 - " +"Szó szerinti 1 („1”), hasznos az optimalizálási zászlókhoz

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) @@ -5582,6 +5704,89 @@ msgstr "Elem:" msgid "Bond Order:" msgstr "Kötésrend:" +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) +msgid "Geometry Optimization Parameters" +msgstr "Geometria optimalizálási paraméterek" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +msgid "Convergence Criteria" +msgstr "Összefolyatás ismérv" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label_2) +#, fuzzy +#| msgid "\"Energy\" convergence:" +msgid "Energy convergence:" +msgstr "„Energia” összefolyattatása:" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 +#. i18n: ectx: property (text), widget (QLabel, label_5) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 +#. i18n: ectx: property (text), widget (QLabel, label_5) +msgid "Step limit:" +msgstr "Lépéskorlát:" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 +#. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +msgid " units" +msgstr " egység" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 +#. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +msgid "10^" +msgstr "10^" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 +#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +msgid " steps" +msgstr " lépés" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QLabel, label_4) +#, fuzzy +#| msgid "\"Energy\" convergence:" +msgid "Gradient convergence:" +msgstr "„Energia” összefolyattatása:" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +msgid "Optimization Method" +msgstr "Optimalizálási módszer" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 +#. i18n: ectx: property (text), widget (QLabel, label) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Force field:" +msgstr "Erőtér:" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +msgid "Autodetect" +msgstr "Automatikus felismerés" + #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" @@ -6402,21 +6607,6 @@ msgstr "Geometria" msgid "TODO" msgstr "Tennivalók" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) -msgid "Geometry Optimization Parameters" -msgstr "Geometria optimalizálási paraméterek" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) -msgid "Optimization Method" -msgstr "Optimalizálási módszer" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Force field:" -msgstr "Erőtér:" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" @@ -6447,11 +6637,6 @@ msgstr "Egyszerű" msgid "Newton's Method" msgstr "Newton módszer" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 -#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) -msgid "Autodetect" -msgstr "Automatikus felismerés" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" @@ -6479,38 +6664,11 @@ msgstr "elektrosztatikus levágási távolság:" msgid "Å" msgstr "Å" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 -#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 -#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) -msgid " steps" -msgstr " lépés" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) -msgid "Convergence Criteria" -msgstr "Összefolyatás ismérv" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "„Energia” összefolyattatása:" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 -#. i18n: ectx: property (text), widget (QLabel, label_5) -msgid "Step limit:" -msgstr "Lépéskorlát:" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 -#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) -msgid " units" -msgstr " egység" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 -#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) -msgid "10^" -msgstr "10^" - #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" @@ -8204,12 +8362,6 @@ msgstr "E-mail-címek" #~ msgid "Constraints..." #~ msgstr "Megszorítások..." -#~ msgid "Energy = %L1 %2" -#~ msgstr "Energia = %L1 %2" - -#~ msgid "Forcefield Optimization" -#~ msgstr "Erőtér optimalizálás" - #~ msgid "Systematic Rotor Search" #~ msgstr "Szisztematikus forgópont-keresés" @@ -9174,9 +9326,6 @@ msgstr "E-mail-címek" #~ msgid "Setup Force Field" #~ msgstr "Erőtér beállítása" -#~ msgid "Force Field" -#~ msgstr "Erőtér" - #~ msgid "Ghemical" #~ msgstr "Ghemical" @@ -9553,9 +9702,6 @@ msgstr "E-mail-címek" #~ msgid "Gradient" #~ msgstr "Grádiens" -#~ msgid "Optimization" -#~ msgstr "Optimalizálás" - #~ msgid "Trudge" #~ msgstr "Trudge" @@ -10179,6 +10325,3 @@ msgstr "E-mail-címek" #~ msgid "Z Matrix Editor" #~ msgstr "Z mátrix szerkesztő" - -#~ msgid "Import Selected Atoms" -#~ msgstr "Kijelölt atomok importálása" diff --git a/i18n/id.po b/i18n/id.po index afbe459ba5..c09d725f19 100644 --- a/i18n/id.po +++ b/i18n/id.po @@ -12,7 +12,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-15 02:02+0000\n" +"POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2021-12-22 05:54+0000\n" "Last-Translator: Reza Almanda \n" "Language-Team: Indonesian \n" "Language-Team: Italian \n" "Language-Team: Japanese \n" "Language-Team: Georgian \n" "Language-Team: Kannada \n" "Language-Team: Korean \n" "Language-Team: Malay \n" "Language-Team: Norwegian Bokmål \n" "Language-Team: Dutch \n" "Language-Team: Occitan (post 1500) \n" @@ -487,7 +487,7 @@ msgstr "Boròni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1708 +#: qtgui/elementtranslator.cpp:34:1747 msgid "Carbon" msgstr "Carbòni" @@ -569,13 +569,13 @@ msgstr "Manganès" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1711 +#: qtgui/elementtranslator.cpp:94:1750 msgid "Iron" msgstr "Fèrre" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1714 +#: qtgui/elementtranslator.cpp:97:1753 msgid "Cobalt" msgstr "Cobalt" @@ -1061,7 +1061,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) -#: qtgui/jsonwidget.cpp:177:627 +#: qtgui/jsonwidget.cpp:177:666 msgid "Title" msgstr "Títol" @@ -1250,27 +1250,27 @@ msgstr "" msgid "Warning '%1'" msgstr "" -#: qtgui/pythonscript.cpp:238 +#: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" -#: qtgui/pythonscript.cpp:241 +#: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" -#: qtgui/pythonscript.cpp:244 +#: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" -#: qtgui/pythonscript.cpp:247 +#: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" -#: qtgui/pythonscript.cpp:250 +#: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" -#: qtgui/pythonscript.cpp:254 +#: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" @@ -1301,7 +1301,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1528 +#: qtplugins/selectiontool/selectiontool.cpp:252:1567 #, fuzzy msgid "Change Layer" msgstr "Modificar l'òrdre de las ligasons" @@ -1414,16 +1414,16 @@ msgstr "" msgid "Rotate to Standard Orientation" msgstr "" -#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:55 +#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" -#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:61 -#: qtplugins/spacegroup/spacegroup.cpp:219 +#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 +#: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" msgstr "" -#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:244 +#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 msgid "Symmetrize Cell" msgstr "" @@ -1631,14 +1631,14 @@ msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/openbabel/openbabel.cpp:204 qtplugins/openbabel/openbabel.cpp:213 -#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:360 -#: qtplugins/openbabel/openbabel.cpp:386 qtplugins/openbabel/openbabel.cpp:395 -#: qtplugins/openbabel/openbabel.cpp:449 qtplugins/openbabel/openbabel.cpp:499 -#: qtplugins/openbabel/openbabel.cpp:512 qtplugins/openbabel/openbabel.cpp:537 -#: qtplugins/openbabel/openbabel.cpp:551 qtplugins/openbabel/openbabel.cpp:580 -#: qtplugins/openbabel/openbabel.cpp:592 qtplugins/openbabel/openbabel.cpp:638 -#: qtplugins/openbabel/openbabel.cpp:688 qtplugins/openbabel/openbabel.cpp:730 -#: qtplugins/openbabel/openbabel.cpp:762 +#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:362 +#: qtplugins/openbabel/openbabel.cpp:388 qtplugins/openbabel/openbabel.cpp:397 +#: qtplugins/openbabel/openbabel.cpp:451 qtplugins/openbabel/openbabel.cpp:501 +#: qtplugins/openbabel/openbabel.cpp:514 qtplugins/openbabel/openbabel.cpp:539 +#: qtplugins/openbabel/openbabel.cpp:553 qtplugins/openbabel/openbabel.cpp:582 +#: qtplugins/openbabel/openbabel.cpp:594 qtplugins/openbabel/openbabel.cpp:640 +#: qtplugins/openbabel/openbabel.cpp:690 qtplugins/openbabel/openbabel.cpp:732 +#: qtplugins/openbabel/openbabel.cpp:764 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/quantuminput/quantuminput.cpp:111 msgid "Error" @@ -1719,25 +1719,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:734 +#: qtplugins/surfaces/surfaces.cpp:735 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:736 +#: qtplugins/surfaces/surfaces.cpp:737 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:738 +#: qtplugins/surfaces/surfaces.cpp:739 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:740 +#: qtplugins/surfaces/surfaces.cpp:741 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1745,7 +1745,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:742 +#: qtplugins/surfaces/surfaces.cpp:743 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1753,7 +1753,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:744 +#: qtplugins/surfaces/surfaces.cpp:745 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1761,7 +1761,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:746 +#: qtplugins/surfaces/surfaces.cpp:747 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1769,7 +1769,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:748 +#: qtplugins/surfaces/surfaces.cpp:749 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1777,7 +1777,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:750 +#: qtplugins/surfaces/surfaces.cpp:751 msgctxt "colormap" msgid "Cividis" msgstr "" @@ -1789,7 +1789,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:752:171 rc.cpp:1576 +#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 #, fuzzy #| msgid "Neutral" msgctxt "colormap" @@ -1801,7 +1801,7 @@ msgstr "Mejan" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:754:168 rc.cpp:1573 +#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1811,7 +1811,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:756:162 rc.cpp:1567 +#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1823,7 +1823,7 @@ msgstr "Anullar" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:758:165 rc.cpp:1570 +#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1835,7 +1835,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1579 +#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1847,7 +1847,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 -#: qtplugins/resetview/resetview.cpp:57 +#: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Vista" @@ -1873,7 +1873,7 @@ msgstr "Causir la color..." #. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1564 +#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 #, fuzzy msgid "Colormap:" msgstr "Colors :" @@ -1992,6 +1992,19 @@ msgstr "&Construire" msgid "Bond" msgstr "Ligason" +#: qtplugins/bonding/bonding.cpp:74 +msgid "Remove bonds from all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:76 +msgid "Create bonds between all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:77 +#, fuzzy +msgid "Perceive bond orders." +msgstr "Suprimir una ligason" + #: qtplugins/bonding/bonding.h:32 msgid "Bonding" msgstr "" @@ -2133,6 +2146,7 @@ msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 +#: qtplugins/forcefield/forcefield.cpp:126 #: qtplugins/openbabel/openbabel.cpp:107 #: qtplugins/plugindownloader/plugindownloader.cpp:40 #: qtplugins/quantuminput/quantuminput.cpp:69 qtplugins/yaehmop/yaehmop.cpp:112 @@ -2317,7 +2331,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1606 rc.cpp:1633 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 msgid "Custom" msgstr "Personalizar" @@ -2466,6 +2480,7 @@ msgid "Generate input for CP2K." msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 +#: qtplugins/forcefield/forcefield.cpp:83 msgid "Energy" msgstr "Energia" @@ -2503,13 +2518,13 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:680 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:719 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1252 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1291 msgid "PME" msgstr "" @@ -2620,7 +2635,7 @@ msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" @@ -2636,11 +2651,19 @@ msgstr "" msgid "Import Crystal from Clipboard" msgstr "" -#: qtplugins/crystal/crystal.cpp:193 +#: qtplugins/crystal/crystal.cpp:175 +msgid "Wrap atoms into the unit cell." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:177 +msgid "Rotate the unit cell to the standard orientation." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" -#: qtplugins/crystal/crystal.cpp:194 +#: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" @@ -2648,7 +2671,7 @@ msgstr "" msgid "Crystal" msgstr "" -#: qtplugins/crystal/crystal.h:64 +#: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" @@ -2734,7 +2757,7 @@ msgstr "Divèrs" #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#: qtplugins/editor/editortoolwidget.cpp:208:1585 rc.cpp:1603 +#: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" msgstr "" @@ -2830,6 +2853,98 @@ msgstr "" msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" +#: qtplugins/forcefield/forcefield.cpp:75 +msgid "Optimize" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:91 +#, fuzzy +msgid "Configure…" +msgstr "Configurar lo camp de fòrça..." + +#: qtplugins/forcefield/forcefield.cpp:103 +#, fuzzy +#| msgid "Delete Atom" +msgid "Freeze Selected Atoms" +msgstr "Suprimir un atòm" + +#: qtplugins/forcefield/forcefield.cpp:110 +#, fuzzy +#| msgid "Delete Atom" +msgid "Unfreeze Selected Atoms" +msgstr "Suprimir un atòm" + +#: qtplugins/forcefield/forcefield.cpp:126 +#, fuzzy +#| msgid "Calculate" +msgid "&Calculate" +msgstr "Calcular" + +#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/openbabel/openbabel.cpp:525 +msgid "Optimize Geometry" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:328 +#, fuzzy, qt-format +#| msgid "Energy = %L1 %2" +msgid "%1 Energy = %L2" +msgstr "Energia = %L1 %2" + +#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/playertool/playertool.cpp:343 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 +#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/yaehmop/yaehmop.cpp:534 +msgid "Avogadro" +msgstr "Avogadro" + +#: qtplugins/forcefield/forcefield.h:46 +#, fuzzy +#| msgid "FMO Optimization" +msgid "Forcefield optimization" +msgstr "Optimizacion FMO" + +#: qtplugins/forcefield/forcefield.h:50 +msgid "Forcefield minimization, including scripts" +msgstr "" + +#: qtplugins/forcefield/forcefielddialog.cpp:119 +#: qtplugins/openbabel/obforcefielddialog.cpp:319 +#, qt-format +msgid "Autodetect (%1)" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:77 +#, fuzzy +msgid "Universal Force Field" +msgstr "Configurar lo camp de fòrça..." + +#: qtplugins/forcefield/obmmenergy.cpp:82 +msgid "Generalized Amber Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:96 +msgid "Merck Molecular Force Field 94" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:238 +#, qt-format +msgid "Error retrieving metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:248 +#, qt-format +msgid "Error parsing metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:256 +#, qt-format +msgid "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" +msgstr "" + #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "GAMESS" @@ -2993,7 +3108,7 @@ msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:561 +#: qtplugins/insertdna/insertdna.cpp:168:600 msgid "Thymine" msgstr "" @@ -3001,7 +3116,7 @@ msgstr "" #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 -#: qtplugins/lineformatinput/lineformatinput.cpp:123:982 +#: qtplugins/lineformatinput/lineformatinput.cpp:123:1021 #, fuzzy #| msgid "Molecule" msgid "Insert Molecule…" @@ -3075,7 +3190,7 @@ msgstr "Distància" #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1261 +#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" msgstr "Pas cap" @@ -3267,7 +3382,7 @@ msgstr "Mesurar" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) -#: qtplugins/meshes/meshes.cpp:170:1519 +#: qtplugins/meshes/meshes.cpp:170:1558 msgid "Opacity:" msgstr "Opacitat :" @@ -3287,7 +3402,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:243 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3299,7 +3414,7 @@ msgstr "&Proprietats" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::MolecularPropertiesDialog) -#: qtplugins/molecularproperties/molecularproperties.h:31:1042 +#: qtplugins/molecularproperties/molecularproperties.h:31:1081 msgid "Molecular Properties" msgstr "Proprietats de la molecula" @@ -3324,7 +3439,7 @@ msgstr "Molecula" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1072 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 #, fuzzy #| msgid "Molecule" msgid "Molecule Name:" @@ -3333,28 +3448,28 @@ msgstr "Molecula" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1048 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1087 msgid "Molecular Mass (g/mol):" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:221 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1054 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1093 msgid "Chemical Formula:" msgstr "Formula quimica :" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:63 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:223 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1060 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1099 msgid "Number of Atoms:" msgstr "Nombre d'atòms :" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_8) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:225 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1066 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1105 msgid "Number of Bonds:" msgstr "Nombre de ligasons :" @@ -3424,15 +3539,6 @@ msgstr "Idrogèn" msgid "Chalcogen" msgstr "" -#: qtplugins/openbabel/obforcefielddialog.cpp:319 -#, qt-format -msgid "Autodetect (%1)" -msgstr "" - -#: qtplugins/openbabel/openbabel.cpp:45 qtplugins/openbabel/openbabel.cpp:523 -msgid "Optimize Geometry" -msgstr "" - #: qtplugins/openbabel/openbabel.cpp:52 #, fuzzy msgid "Configure Force Field…" @@ -3480,42 +3586,42 @@ msgstr "" msgid "Error parsing openbabel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:361 qtplugins/openbabel/openbabel.cpp:396 +#: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:387 +#: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:405 +#: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:430 +#: qtplugins/openbabel/openbabel.cpp:432 msgid "Optimizing Geometry (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:431 +#: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:450 +#: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:456 +#: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:470 qtplugins/openbabel/openbabel.cpp:478 +#: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format msgid "" "Step %1 of %2\n" @@ -3523,105 +3629,105 @@ msgid "" "dE: %4" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:492 +#: qtplugins/openbabel/openbabel.cpp:494 #, fuzzy msgid "Updating molecule…" msgstr "Molecula" -#: qtplugins/openbabel/openbabel.cpp:500 qtplugins/openbabel/openbabel.cpp:581 -#: qtplugins/openbabel/openbabel.cpp:763 +#: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 +#: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:513 qtplugins/openbabel/openbabel.cpp:593 +#: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:532 +#: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:538 +#: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:544 +#: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:545 +#: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:552 +#: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:563 +#: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:573 +#: qtplugins/openbabel/openbabel.cpp:575 #, fuzzy msgid "Updating molecule from Open Babel…" msgstr "Molecula" -#: qtplugins/openbabel/openbabel.cpp:625 qtplugins/openbabel/openbabel.cpp:667 +#: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:630 qtplugins/openbabel/openbabel.cpp:680 +#: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 msgid "Adding Hydrogens (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:631 +#: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:639 qtplugins/openbabel/openbabel.cpp:689 +#: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:652 qtplugins/openbabel/openbabel.cpp:702 -#: qtplugins/openbabel/openbabel.cpp:744 +#: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 +#: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 msgid "Add hydrogens for pH" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "pH:" msgstr "pH" -#: qtplugins/openbabel/openbabel.cpp:681 qtplugins/openbabel/openbabel.cpp:723 +#: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:717 +#: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:722 +#: qtplugins/openbabel/openbabel.cpp:724 msgid "Removing Hydrogens (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:731 +#: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:754 +#: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:817 +#: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." @@ -3671,7 +3777,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) -#: qtplugins/openmminput/openmminputdialog.cpp:497:1162 +#: qtplugins/openmminput/openmminputdialog.cpp:497:1201 msgid "input.prmtop" msgstr "" @@ -3701,7 +3807,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 -#: qtplugins/openmminput/openmminputdialog.cpp:1069:1279 rc.cpp:1294 +#: qtplugins/openmminput/openmminputdialog.cpp:1069:1318 rc.cpp:1333 msgid "True" msgstr "" @@ -3747,7 +3853,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1636 +#: qtplugins/playertool/playertool.cpp:113:1675 #, fuzzy msgid "Frame:" msgstr "Paramètres :" @@ -3780,7 +3886,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:854 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 msgid "GIF (*.gif)" msgstr "" @@ -3797,18 +3903,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "fichièrs vidèo (*.avi)" -#: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:882 -#: qtplugins/surfaces/surfaces.cpp:926 qtplugins/surfaces/surfaces.cpp:938 -#: qtplugins/yaehmop/yaehmop.cpp:534 -msgid "Avogadro" -msgstr "Avogadro" - -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:927 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4258,14 +4357,20 @@ msgstr "" msgid "Generate input for quantum codes." msgstr "" -#: qtplugins/resetview/resetview.cpp:37 +#: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" -#: qtplugins/resetview/resetview.cpp:38 +#: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" +#: qtplugins/resetview/resetview.cpp:52 +#, fuzzy +#| msgid "Align Settings" +msgid "Align view to axes." +msgstr "Paramètres d'alinhament" + #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" @@ -4412,7 +4517,7 @@ msgstr "Seleccionar per residú..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1675 +#: qtplugins/select/select.h:30:1714 #, fuzzy msgid "Select" msgstr "&Seleccionar" @@ -4447,98 +4552,102 @@ msgstr "" msgid "New Layer" msgstr "Suprimir una ligason" -#: qtplugins/spacegroup/spacegroup.cpp:49 +#: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:67:1660 +#: qtplugins/spacegroup/spacegroup.cpp:68:1699 msgid "Symmetrize" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:72 +#: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:77 -#: qtplugins/spacegroup/spacegroup.cpp:294 +#: qtplugins/spacegroup/spacegroup.cpp:78 +#: qtplugins/spacegroup/spacegroup.cpp:315 msgid "Reduce to Asymmetric Unit" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:83 +#: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:178 +#: qtplugins/spacegroup/spacegroup.cpp:112 +msgid "Fill symmetric atoms based on the crystal space group." +msgstr "" + +#: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:179 +#: qtplugins/spacegroup/spacegroup.cpp:200 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:194 +#: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:195 -#: qtplugins/spacegroup/spacegroup.cpp:220 -#: qtplugins/spacegroup/spacegroup.cpp:245 +#: qtplugins/spacegroup/spacegroup.cpp:216 +#: qtplugins/spacegroup/spacegroup.cpp:241 +#: qtplugins/spacegroup/spacegroup.cpp:266 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:208 +#: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:233 +#: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:257 +#: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:315 qtplugins/yaehmop/yaehmop.cpp:209 +#: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro" -#: qtplugins/spacegroup/spacegroup.cpp:316 +#: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hall" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hermann-Mauguin" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:345 +#: qtplugins/spacegroup/spacegroup.cpp:366 msgid "Select Space Group" msgstr "" @@ -4546,7 +4655,7 @@ msgstr "" msgid "SpaceGroup" msgstr "" -#: qtplugins/spacegroup/spacegroup.h:65 +#: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" @@ -4663,31 +4772,31 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:567 +#: qtplugins/surfaces/surfaces.cpp:568 #, fuzzy msgid "Calculating electron density" msgstr "Calcul de la densitat electronica en cors" -#: qtplugins/surfaces/surfaces.cpp:576 +#: qtplugins/surfaces/surfaces.cpp:577 #, fuzzy msgid "Calculating spin density" msgstr "Calcul de la densitat electronica en cors" -#: qtplugins/surfaces/surfaces.cpp:585 +#: qtplugins/surfaces/surfaces.cpp:586 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:831 qtplugins/surfaces/surfaces.cpp:859 +#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:833 +#: qtplugins/surfaces/surfaces.cpp:834 #, fuzzy msgid "Export Movie" msgstr "E&xportar l'imatge" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:835 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4725,7 +4834,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1645 +#: qtplugins/symmetry/symmetry.h:34:1684 msgid "Symmetry" msgstr "" @@ -5561,6 +5670,85 @@ msgstr "Element :" msgid "Bond Order:" msgstr "Òrdre de ligason :" +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) +msgid "Geometry Optimization Parameters" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +msgid "Convergence Criteria" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label_2) +msgid "Energy convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 +#. i18n: ectx: property (text), widget (QLabel, label_5) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 +#. i18n: ectx: property (text), widget (QLabel, label_5) +msgid "Step limit:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 +#. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +msgid " units" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 +#. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +msgid "10^" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 +#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +msgid " steps" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QLabel, label_4) +msgid "Gradient convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +msgid "Optimization Method" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 +#. i18n: ectx: property (text), widget (QLabel, label) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Force field:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +msgid "Autodetect" +msgstr "" + #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" @@ -6383,21 +6571,6 @@ msgstr "" msgid "TODO" msgstr "CAUSAS A FAR" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) -msgid "Geometry Optimization Parameters" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) -msgid "Optimization Method" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Force field:" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" @@ -6428,11 +6601,6 @@ msgstr "" msgid "Newton's Method" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 -#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) -msgid "Autodetect" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" @@ -6460,38 +6628,11 @@ msgstr "" msgid "Å" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 -#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 -#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) -msgid " steps" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) -msgid "Convergence Criteria" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 -#. i18n: ectx: property (text), widget (QLabel, label_5) -msgid "Step limit:" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 -#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) -msgid " units" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 -#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) -msgid "10^" -msgstr "" - #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" @@ -7765,9 +7906,6 @@ msgstr "" #~ msgid "Constraints..." #~ msgstr "Contrenchas..." -#~ msgid "Energy = %L1 %2" -#~ msgstr "Energia = %L1 %2" - #~ msgid "ForceField" #~ msgstr "Camp de fòrça" @@ -9070,9 +9208,6 @@ msgstr "" #~ msgid "VSCF" #~ msgstr "VSCF" -#~ msgid "FMO Optimization" -#~ msgstr "Optimizacion FMO" - #~ msgid "Raman Intensities" #~ msgstr "Intensitats Raman" diff --git a/i18n/pl.po b/i18n/pl.po index 16983fcd38..b6b3acc5b6 100644 --- a/i18n/pl.po +++ b/i18n/pl.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-15 02:02+0000\n" +"POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-06-20 10:49+0000\n" "Last-Translator: Jakub Brzeski \n" "Language-Team: Polish \n" "Language-Team: Portuguese \n" "Language-Team: Portuguese (Brazil) \n" "Language-Team: Romanian \n" "Language-Team: Russian \n" "Language-Team: Sanskrit \n" "Language-Team: Slovak \n" @@ -487,7 +487,7 @@ msgstr "Bór" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1708 +#: qtgui/elementtranslator.cpp:34:1747 msgid "Carbon" msgstr "Uhlík" @@ -569,13 +569,13 @@ msgstr "Mangán" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1711 +#: qtgui/elementtranslator.cpp:94:1750 msgid "Iron" msgstr "Železo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1714 +#: qtgui/elementtranslator.cpp:97:1753 msgid "Cobalt" msgstr "Kobalt" @@ -1061,7 +1061,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) -#: qtgui/jsonwidget.cpp:177:627 +#: qtgui/jsonwidget.cpp:177:666 msgid "Title" msgstr "Názov" @@ -1249,27 +1249,27 @@ msgstr "" msgid "Warning '%1'" msgstr "" -#: qtgui/pythonscript.cpp:238 +#: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" -#: qtgui/pythonscript.cpp:241 +#: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" -#: qtgui/pythonscript.cpp:244 +#: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" -#: qtgui/pythonscript.cpp:247 +#: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" -#: qtgui/pythonscript.cpp:250 +#: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" -#: qtgui/pythonscript.cpp:254 +#: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" @@ -1300,7 +1300,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1528 +#: qtplugins/selectiontool/selectiontool.cpp:252:1567 #, fuzzy msgid "Change Layer" msgstr "Zmeniť Prvok" @@ -1413,16 +1413,16 @@ msgstr "" msgid "Rotate to Standard Orientation" msgstr "" -#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:55 +#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" -#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:61 -#: qtplugins/spacegroup/spacegroup.cpp:219 +#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 +#: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" msgstr "" -#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:244 +#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 msgid "Symmetrize Cell" msgstr "" @@ -1626,14 +1626,14 @@ msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/openbabel/openbabel.cpp:204 qtplugins/openbabel/openbabel.cpp:213 -#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:360 -#: qtplugins/openbabel/openbabel.cpp:386 qtplugins/openbabel/openbabel.cpp:395 -#: qtplugins/openbabel/openbabel.cpp:449 qtplugins/openbabel/openbabel.cpp:499 -#: qtplugins/openbabel/openbabel.cpp:512 qtplugins/openbabel/openbabel.cpp:537 -#: qtplugins/openbabel/openbabel.cpp:551 qtplugins/openbabel/openbabel.cpp:580 -#: qtplugins/openbabel/openbabel.cpp:592 qtplugins/openbabel/openbabel.cpp:638 -#: qtplugins/openbabel/openbabel.cpp:688 qtplugins/openbabel/openbabel.cpp:730 -#: qtplugins/openbabel/openbabel.cpp:762 +#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:362 +#: qtplugins/openbabel/openbabel.cpp:388 qtplugins/openbabel/openbabel.cpp:397 +#: qtplugins/openbabel/openbabel.cpp:451 qtplugins/openbabel/openbabel.cpp:501 +#: qtplugins/openbabel/openbabel.cpp:514 qtplugins/openbabel/openbabel.cpp:539 +#: qtplugins/openbabel/openbabel.cpp:553 qtplugins/openbabel/openbabel.cpp:582 +#: qtplugins/openbabel/openbabel.cpp:594 qtplugins/openbabel/openbabel.cpp:640 +#: qtplugins/openbabel/openbabel.cpp:690 qtplugins/openbabel/openbabel.cpp:732 +#: qtplugins/openbabel/openbabel.cpp:764 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/quantuminput/quantuminput.cpp:111 msgid "Error" @@ -1714,25 +1714,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:734 +#: qtplugins/surfaces/surfaces.cpp:735 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:736 +#: qtplugins/surfaces/surfaces.cpp:737 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:738 +#: qtplugins/surfaces/surfaces.cpp:739 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:740 +#: qtplugins/surfaces/surfaces.cpp:741 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1740,7 +1740,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:742 +#: qtplugins/surfaces/surfaces.cpp:743 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1748,7 +1748,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:744 +#: qtplugins/surfaces/surfaces.cpp:745 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1756,7 +1756,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:746 +#: qtplugins/surfaces/surfaces.cpp:747 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1764,7 +1764,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:748 +#: qtplugins/surfaces/surfaces.cpp:749 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1772,7 +1772,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:750 +#: qtplugins/surfaces/surfaces.cpp:751 msgctxt "colormap" msgid "Cividis" msgstr "" @@ -1784,7 +1784,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:752:171 rc.cpp:1576 +#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 #, fuzzy #| msgid "Neutral" msgctxt "colormap" @@ -1796,7 +1796,7 @@ msgstr "Neutrálny" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:754:168 rc.cpp:1573 +#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1806,7 +1806,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:756:162 rc.cpp:1567 +#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1818,7 +1818,7 @@ msgstr "Zrušiť" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:758:165 rc.cpp:1570 +#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1830,7 +1830,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1579 +#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1842,7 +1842,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 -#: qtplugins/resetview/resetview.cpp:57 +#: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Zobrazenie" @@ -1868,7 +1868,7 @@ msgstr "Vybrané Farby" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1564 +#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 #, fuzzy msgid "Colormap:" msgstr "Farby:" @@ -1984,6 +1984,19 @@ msgstr "&Zostaviť" msgid "Bond" msgstr "Pridať Väzby" +#: qtplugins/bonding/bonding.cpp:74 +msgid "Remove bonds from all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:76 +msgid "Create bonds between all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:77 +#, fuzzy +msgid "Perceive bond orders." +msgstr "Odstrániť vodíky" + #: qtplugins/bonding/bonding.h:32 msgid "Bonding" msgstr "" @@ -2128,6 +2141,7 @@ msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 +#: qtplugins/forcefield/forcefield.cpp:126 #: qtplugins/openbabel/openbabel.cpp:107 #: qtplugins/plugindownloader/plugindownloader.cpp:40 #: qtplugins/quantuminput/quantuminput.cpp:69 qtplugins/yaehmop/yaehmop.cpp:112 @@ -2316,7 +2330,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1606 rc.cpp:1633 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 msgid "Custom" msgstr "" @@ -2461,6 +2475,7 @@ msgid "Generate input for CP2K." msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 +#: qtplugins/forcefield/forcefield.cpp:83 msgid "Energy" msgstr "Energia" @@ -2498,13 +2513,13 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:680 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:719 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1252 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1291 msgid "PME" msgstr "" @@ -2614,7 +2629,7 @@ msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" @@ -2630,11 +2645,19 @@ msgstr "" msgid "Import Crystal from Clipboard" msgstr "" -#: qtplugins/crystal/crystal.cpp:193 +#: qtplugins/crystal/crystal.cpp:175 +msgid "Wrap atoms into the unit cell." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:177 +msgid "Rotate the unit cell to the standard orientation." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" -#: qtplugins/crystal/crystal.cpp:194 +#: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" @@ -2642,7 +2665,7 @@ msgstr "" msgid "Crystal" msgstr "" -#: qtplugins/crystal/crystal.h:64 +#: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" @@ -2728,7 +2751,7 @@ msgstr "Ďaľšie..." #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#: qtplugins/editor/editortoolwidget.cpp:208:1585 rc.cpp:1603 +#: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" msgstr "" @@ -2822,6 +2845,102 @@ msgstr "" msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" +#: qtplugins/forcefield/forcefield.cpp:75 +#, fuzzy +#| msgid "Optimization" +msgid "Optimize" +msgstr "Optimalizácia" + +#: qtplugins/forcefield/forcefield.cpp:91 +#, fuzzy +msgid "Configure…" +msgstr "Nastaviť silové pole..." + +#: qtplugins/forcefield/forcefield.cpp:103 +#, fuzzy +#| msgid "Fix Selected Atoms" +msgid "Freeze Selected Atoms" +msgstr "Fixovať vybrané atómy" + +#: qtplugins/forcefield/forcefield.cpp:110 +#, fuzzy +#| msgid "Fix Selected Atoms" +msgid "Unfreeze Selected Atoms" +msgstr "Fixovať vybrané atómy" + +#: qtplugins/forcefield/forcefield.cpp:126 +#, fuzzy +#| msgid "Calculate" +msgid "&Calculate" +msgstr "Vypočítať" + +#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/openbabel/openbabel.cpp:525 +msgid "Optimize Geometry" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:328 +#, qt-format +msgid "%1 Energy = %L2" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/playertool/playertool.cpp:343 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 +#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/yaehmop/yaehmop.cpp:534 +msgid "Avogadro" +msgstr "Avogadro" + +#: qtplugins/forcefield/forcefield.h:46 +#, fuzzy +#| msgid "Forcefield Optimization" +msgid "Forcefield optimization" +msgstr "Optimalizácia silového poľa" + +#: qtplugins/forcefield/forcefield.h:50 +#, fuzzy +#| msgid "Forcefield Optimization" +msgid "Forcefield minimization, including scripts" +msgstr "Optimalizácia silového poľa" + +#: qtplugins/forcefield/forcefielddialog.cpp:119 +#: qtplugins/openbabel/obforcefielddialog.cpp:319 +#, qt-format +msgid "Autodetect (%1)" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:77 +#, fuzzy +#| msgid "Force Field" +msgid "Universal Force Field" +msgstr "Silové Pole" + +#: qtplugins/forcefield/obmmenergy.cpp:82 +msgid "Generalized Amber Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:96 +msgid "Merck Molecular Force Field 94" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:238 +#, qt-format +msgid "Error retrieving metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:248 +#, qt-format +msgid "Error parsing metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:256 +#, qt-format +msgid "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" +msgstr "" + #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "GAMESS" @@ -2983,7 +3102,7 @@ msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:561 +#: qtplugins/insertdna/insertdna.cpp:168:600 msgid "Thymine" msgstr "" @@ -2991,7 +3110,7 @@ msgstr "" #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 -#: qtplugins/lineformatinput/lineformatinput.cpp:123:982 +#: qtplugins/lineformatinput/lineformatinput.cpp:123:1021 #, fuzzy #| msgid "Molecule" msgid "Insert Molecule…" @@ -3066,7 +3185,7 @@ msgstr "Vzdialenosť" #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1261 +#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" msgstr "Nič" @@ -3260,7 +3379,7 @@ msgstr "Rozsah" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) -#: qtplugins/meshes/meshes.cpp:170:1519 +#: qtplugins/meshes/meshes.cpp:170:1558 msgid "Opacity:" msgstr "Priehľadnosť:" @@ -3280,7 +3399,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:243 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 #, fuzzy msgid "&Analysis" msgstr "Analytický" @@ -3293,7 +3412,7 @@ msgstr "&Vlastnosti" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::MolecularPropertiesDialog) -#: qtplugins/molecularproperties/molecularproperties.h:31:1042 +#: qtplugins/molecularproperties/molecularproperties.h:31:1081 msgid "Molecular Properties" msgstr "Vlastnosti molekuly" @@ -3317,7 +3436,7 @@ msgstr "Molekula" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1072 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 #, fuzzy #| msgid "Molecule" msgid "Molecule Name:" @@ -3326,28 +3445,28 @@ msgstr "Molekula" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1048 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1087 msgid "Molecular Mass (g/mol):" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:221 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1054 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1093 msgid "Chemical Formula:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:63 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:223 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1060 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1099 msgid "Number of Atoms:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_8) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:225 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1066 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1105 msgid "Number of Bonds:" msgstr "" @@ -3417,15 +3536,6 @@ msgstr "Vodík" msgid "Chalcogen" msgstr "" -#: qtplugins/openbabel/obforcefielddialog.cpp:319 -#, qt-format -msgid "Autodetect (%1)" -msgstr "" - -#: qtplugins/openbabel/openbabel.cpp:45 qtplugins/openbabel/openbabel.cpp:523 -msgid "Optimize Geometry" -msgstr "" - #: qtplugins/openbabel/openbabel.cpp:52 #, fuzzy msgid "Configure Force Field…" @@ -3473,43 +3583,43 @@ msgstr "" msgid "Error parsing openbabel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:361 qtplugins/openbabel/openbabel.cpp:396 +#: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:387 +#: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:405 +#: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:430 +#: qtplugins/openbabel/openbabel.cpp:432 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Odstrániť vodíky" -#: qtplugins/openbabel/openbabel.cpp:431 +#: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:450 +#: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:456 +#: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:470 qtplugins/openbabel/openbabel.cpp:478 +#: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format msgid "" "Step %1 of %2\n" @@ -3517,108 +3627,108 @@ msgid "" "dE: %4" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:492 +#: qtplugins/openbabel/openbabel.cpp:494 #, fuzzy msgid "Updating molecule…" msgstr "Molekula" -#: qtplugins/openbabel/openbabel.cpp:500 qtplugins/openbabel/openbabel.cpp:581 -#: qtplugins/openbabel/openbabel.cpp:763 +#: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 +#: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:513 qtplugins/openbabel/openbabel.cpp:593 +#: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:532 +#: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:538 +#: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:544 +#: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:545 +#: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:552 +#: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:563 +#: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:573 +#: qtplugins/openbabel/openbabel.cpp:575 #, fuzzy msgid "Updating molecule from Open Babel…" msgstr "Molekula" -#: qtplugins/openbabel/openbabel.cpp:625 qtplugins/openbabel/openbabel.cpp:667 +#: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:630 qtplugins/openbabel/openbabel.cpp:680 +#: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Pridať vodíky" -#: qtplugins/openbabel/openbabel.cpp:631 +#: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:639 qtplugins/openbabel/openbabel.cpp:689 +#: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:652 qtplugins/openbabel/openbabel.cpp:702 -#: qtplugins/openbabel/openbabel.cpp:744 +#: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 +#: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "Add hydrogens for pH" msgstr "Pridať vodíky pre pH" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "pH:" msgstr "pH" -#: qtplugins/openbabel/openbabel.cpp:681 qtplugins/openbabel/openbabel.cpp:723 +#: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:717 +#: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:722 +#: qtplugins/openbabel/openbabel.cpp:724 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Odstrániť vodíky" -#: qtplugins/openbabel/openbabel.cpp:731 +#: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:754 +#: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:817 +#: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." @@ -3671,7 +3781,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) -#: qtplugins/openmminput/openmminputdialog.cpp:497:1162 +#: qtplugins/openmminput/openmminputdialog.cpp:497:1201 msgid "input.prmtop" msgstr "" @@ -3701,7 +3811,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 -#: qtplugins/openmminput/openmminputdialog.cpp:1069:1279 rc.cpp:1294 +#: qtplugins/openmminput/openmminputdialog.cpp:1069:1318 rc.cpp:1333 msgid "True" msgstr "" @@ -3746,7 +3856,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1636 +#: qtplugins/playertool/playertool.cpp:113:1675 #, fuzzy msgid "Frame:" msgstr "Názov zvyškov" @@ -3779,7 +3889,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:854 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 msgid "GIF (*.gif)" msgstr "" @@ -3796,18 +3906,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "video súbory (*.avi)" -#: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:882 -#: qtplugins/surfaces/surfaces.cpp:926 qtplugins/surfaces/surfaces.cpp:938 -#: qtplugins/yaehmop/yaehmop.cpp:534 -msgid "Avogadro" -msgstr "Avogadro" - -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:927 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4256,14 +4359,18 @@ msgstr "" msgid "Generate input for quantum codes." msgstr "" -#: qtplugins/resetview/resetview.cpp:37 +#: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" -#: qtplugins/resetview/resetview.cpp:38 +#: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" +#: qtplugins/resetview/resetview.cpp:52 +msgid "Align view to axes." +msgstr "" + #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" @@ -4408,7 +4515,7 @@ msgstr "Vybrať podľa Zvyšku..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1675 +#: qtplugins/select/select.h:30:1714 #, fuzzy msgid "Select" msgstr "&Výber" @@ -4443,98 +4550,102 @@ msgstr "" msgid "New Layer" msgstr "Odstrániť vodíky" -#: qtplugins/spacegroup/spacegroup.cpp:49 +#: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:67:1660 +#: qtplugins/spacegroup/spacegroup.cpp:68:1699 msgid "Symmetrize" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:72 +#: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:77 -#: qtplugins/spacegroup/spacegroup.cpp:294 +#: qtplugins/spacegroup/spacegroup.cpp:78 +#: qtplugins/spacegroup/spacegroup.cpp:315 msgid "Reduce to Asymmetric Unit" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:83 +#: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:178 +#: qtplugins/spacegroup/spacegroup.cpp:112 +msgid "Fill symmetric atoms based on the crystal space group." +msgstr "" + +#: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:179 +#: qtplugins/spacegroup/spacegroup.cpp:200 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:194 +#: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:195 -#: qtplugins/spacegroup/spacegroup.cpp:220 -#: qtplugins/spacegroup/spacegroup.cpp:245 +#: qtplugins/spacegroup/spacegroup.cpp:216 +#: qtplugins/spacegroup/spacegroup.cpp:241 +#: qtplugins/spacegroup/spacegroup.cpp:266 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:208 +#: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:233 +#: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:257 +#: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:315 qtplugins/yaehmop/yaehmop.cpp:209 +#: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro" -#: qtplugins/spacegroup/spacegroup.cpp:316 +#: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hall" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hermann-Mauguin" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:345 +#: qtplugins/spacegroup/spacegroup.cpp:366 msgid "Select Space Group" msgstr "" @@ -4542,7 +4653,7 @@ msgstr "" msgid "SpaceGroup" msgstr "" -#: qtplugins/spacegroup/spacegroup.h:65 +#: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" @@ -4661,31 +4772,31 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:567 +#: qtplugins/surfaces/surfaces.cpp:568 #, fuzzy msgid "Calculating electron density" msgstr "Prebieha výpočet elektrónovej hustoty" -#: qtplugins/surfaces/surfaces.cpp:576 +#: qtplugins/surfaces/surfaces.cpp:577 #, fuzzy msgid "Calculating spin density" msgstr "Prebieha výpočet elektrónovej hustoty" -#: qtplugins/surfaces/surfaces.cpp:585 +#: qtplugins/surfaces/surfaces.cpp:586 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:831 qtplugins/surfaces/surfaces.cpp:859 +#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:833 +#: qtplugins/surfaces/surfaces.cpp:834 #, fuzzy msgid "Export Movie" msgstr "E&xport Obrázku" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:835 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4723,7 +4834,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1645 +#: qtplugins/symmetry/symmetry.h:34:1684 msgid "Symmetry" msgstr "" @@ -5557,6 +5668,85 @@ msgstr "Prvok:" msgid "Bond Order:" msgstr "" +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) +msgid "Geometry Optimization Parameters" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +msgid "Convergence Criteria" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label_2) +msgid "Energy convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 +#. i18n: ectx: property (text), widget (QLabel, label_5) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 +#. i18n: ectx: property (text), widget (QLabel, label_5) +msgid "Step limit:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 +#. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +msgid " units" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 +#. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +msgid "10^" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 +#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +msgid " steps" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QLabel, label_4) +msgid "Gradient convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +msgid "Optimization Method" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 +#. i18n: ectx: property (text), widget (QLabel, label) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Force field:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +msgid "Autodetect" +msgstr "" + #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" @@ -6371,21 +6561,6 @@ msgstr "" msgid "TODO" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) -msgid "Geometry Optimization Parameters" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) -msgid "Optimization Method" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Force field:" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" @@ -6416,11 +6591,6 @@ msgstr "" msgid "Newton's Method" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 -#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) -msgid "Autodetect" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" @@ -6448,38 +6618,11 @@ msgstr "" msgid "Å" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 -#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 -#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) -msgid " steps" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) -msgid "Convergence Criteria" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 -#. i18n: ectx: property (text), widget (QLabel, label_5) -msgid "Step limit:" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 -#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) -msgid " units" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 -#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) -msgid "10^" -msgstr "" - #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" @@ -7872,9 +8015,6 @@ msgstr "" #~ msgid "Constraints..." #~ msgstr "Obmedzenia..." -#~ msgid "Forcefield Optimization" -#~ msgstr "Optimalizácia silového poľa" - #~ msgid "Systematic Rotor Search" #~ msgstr "Systematické vyhľadávanie rotora" @@ -8398,9 +8538,6 @@ msgstr "" #~ msgid "Setup Force Field" #~ msgstr "Nastaviť Silové Pole" -#~ msgid "Force Field" -#~ msgstr "Silové Pole" - #~ msgid "Algorithm" #~ msgstr "Algoritmus" @@ -8512,9 +8649,6 @@ msgstr "" #~ msgid "Max SCF Iterations:" #~ msgstr "Max SCF Iterácia:" -#~ msgid "Optimization" -#~ msgstr "Optimalizácia" - #~ msgid "IRC" #~ msgstr "IRC" diff --git a/i18n/sl.po b/i18n/sl.po index 9dd1e8e097..8f3b98728c 100644 --- a/i18n/sl.po +++ b/i18n/sl.po @@ -8,7 +8,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-15 02:02+0000\n" +"POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2016-06-10 06:51+0000\n" "Last-Translator: Matej Urbančič \n" "Language-Team: Slovenian \n" @@ -491,7 +491,7 @@ msgstr "bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1708 +#: qtgui/elementtranslator.cpp:34:1747 msgid "Carbon" msgstr "ogljik" @@ -573,13 +573,13 @@ msgstr "mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1711 +#: qtgui/elementtranslator.cpp:94:1750 msgid "Iron" msgstr "železo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1714 +#: qtgui/elementtranslator.cpp:97:1753 msgid "Cobalt" msgstr "kobalt" @@ -1066,7 +1066,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) -#: qtgui/jsonwidget.cpp:177:627 +#: qtgui/jsonwidget.cpp:177:666 msgid "Title" msgstr "Naslov" @@ -1257,27 +1257,27 @@ msgstr "" msgid "Warning '%1'" msgstr "" -#: qtgui/pythonscript.cpp:238 +#: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" -#: qtgui/pythonscript.cpp:241 +#: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" -#: qtgui/pythonscript.cpp:244 +#: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" -#: qtgui/pythonscript.cpp:247 +#: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" -#: qtgui/pythonscript.cpp:250 +#: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" -#: qtgui/pythonscript.cpp:254 +#: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" @@ -1308,7 +1308,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1528 +#: qtplugins/selectiontool/selectiontool.cpp:252:1567 #, fuzzy msgid "Change Layer" msgstr "Spremeni vrsto vezi" @@ -1426,17 +1426,17 @@ msgstr "" msgid "Rotate to Standard Orientation" msgstr "Zavrti na običajno usmerjenost" -#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:55 +#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 #, fuzzy msgid "Reduce to Primitive" msgstr "Zmanjšaj na primitivno celico" -#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:61 -#: qtplugins/spacegroup/spacegroup.cpp:219 +#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 +#: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" msgstr "" -#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:244 +#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 #, fuzzy msgid "Symmetrize Cell" msgstr "Prilagodi simetrijo kristala" @@ -1654,14 +1654,14 @@ msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/openbabel/openbabel.cpp:204 qtplugins/openbabel/openbabel.cpp:213 -#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:360 -#: qtplugins/openbabel/openbabel.cpp:386 qtplugins/openbabel/openbabel.cpp:395 -#: qtplugins/openbabel/openbabel.cpp:449 qtplugins/openbabel/openbabel.cpp:499 -#: qtplugins/openbabel/openbabel.cpp:512 qtplugins/openbabel/openbabel.cpp:537 -#: qtplugins/openbabel/openbabel.cpp:551 qtplugins/openbabel/openbabel.cpp:580 -#: qtplugins/openbabel/openbabel.cpp:592 qtplugins/openbabel/openbabel.cpp:638 -#: qtplugins/openbabel/openbabel.cpp:688 qtplugins/openbabel/openbabel.cpp:730 -#: qtplugins/openbabel/openbabel.cpp:762 +#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:362 +#: qtplugins/openbabel/openbabel.cpp:388 qtplugins/openbabel/openbabel.cpp:397 +#: qtplugins/openbabel/openbabel.cpp:451 qtplugins/openbabel/openbabel.cpp:501 +#: qtplugins/openbabel/openbabel.cpp:514 qtplugins/openbabel/openbabel.cpp:539 +#: qtplugins/openbabel/openbabel.cpp:553 qtplugins/openbabel/openbabel.cpp:582 +#: qtplugins/openbabel/openbabel.cpp:594 qtplugins/openbabel/openbabel.cpp:640 +#: qtplugins/openbabel/openbabel.cpp:690 qtplugins/openbabel/openbabel.cpp:732 +#: qtplugins/openbabel/openbabel.cpp:764 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/quantuminput/quantuminput.cpp:111 msgid "Error" @@ -1744,25 +1744,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:734 +#: qtplugins/surfaces/surfaces.cpp:735 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:736 +#: qtplugins/surfaces/surfaces.cpp:737 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:738 +#: qtplugins/surfaces/surfaces.cpp:739 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:740 +#: qtplugins/surfaces/surfaces.cpp:741 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1770,7 +1770,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:742 +#: qtplugins/surfaces/surfaces.cpp:743 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1778,7 +1778,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:744 +#: qtplugins/surfaces/surfaces.cpp:745 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1786,7 +1786,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:746 +#: qtplugins/surfaces/surfaces.cpp:747 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1794,7 +1794,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:748 +#: qtplugins/surfaces/surfaces.cpp:749 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1802,7 +1802,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:750 +#: qtplugins/surfaces/surfaces.cpp:751 msgctxt "colormap" msgid "Cividis" msgstr "" @@ -1814,7 +1814,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:752:171 rc.cpp:1576 +#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 #, fuzzy #| msgid "Spectra" msgctxt "colormap" @@ -1826,7 +1826,7 @@ msgstr "Spektri" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:754:168 rc.cpp:1573 +#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1836,7 +1836,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:756:162 rc.cpp:1567 +#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1848,7 +1848,7 @@ msgstr "Prekliči" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:758:165 rc.cpp:1570 +#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1860,7 +1860,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1579 +#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1872,7 +1872,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 -#: qtplugins/resetview/resetview.cpp:57 +#: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Pogled" @@ -1898,7 +1898,7 @@ msgstr "Izbrane barve" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1564 +#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 #, fuzzy #| msgid "Color:" msgid "Colormap:" @@ -2041,6 +2041,19 @@ msgstr "&Izgradnja" msgid "Bond" msgstr "Vez" +#: qtplugins/bonding/bonding.cpp:74 +msgid "Remove bonds from all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:76 +msgid "Create bonds between all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:77 +#, fuzzy +msgid "Perceive bond orders." +msgstr "Ali naj bodo vezi zaznane?" + #: qtplugins/bonding/bonding.h:32 msgid "Bonding" msgstr "" @@ -2185,6 +2198,7 @@ msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 +#: qtplugins/forcefield/forcefield.cpp:126 #: qtplugins/openbabel/openbabel.cpp:107 #: qtplugins/plugindownloader/plugindownloader.cpp:40 #: qtplugins/quantuminput/quantuminput.cpp:69 qtplugins/yaehmop/yaehmop.cpp:112 @@ -2373,7 +2387,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1606 rc.cpp:1633 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 msgid "Custom" msgstr "Po meri" @@ -2522,6 +2536,7 @@ msgid "Generate input for CP2K." msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 +#: qtplugins/forcefield/forcefield.cpp:83 msgid "Energy" msgstr "Energija" @@ -2559,13 +2574,13 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:680 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:719 msgid "NONE" msgstr "BREZ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1252 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1291 msgid "PME" msgstr "" @@ -2683,7 +2698,7 @@ msgstr "Zmanjšaj celico (&Nigglijev algoritem)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "&Crystal" msgstr "Kristal ..." @@ -2701,11 +2716,23 @@ msgstr "Dodaj &osnovno celico" msgid "Import Crystal from Clipboard" msgstr "&Uvozi krstalno mrežo iz odložišča ..." -#: qtplugins/crystal/crystal.cpp:193 +#: qtplugins/crystal/crystal.cpp:175 +#, fuzzy +#| msgid "&Keep atoms in unit cell" +msgid "Wrap atoms into the unit cell." +msgstr "&Združi atome v osnovno celico" + +#: qtplugins/crystal/crystal.cpp:177 +#, fuzzy +#| msgid "Rotate to Standard Orientation" +msgid "Rotate the unit cell to the standard orientation." +msgstr "Zavrti na običajno usmerjenost" + +#: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" -#: qtplugins/crystal/crystal.cpp:194 +#: qtplugins/crystal/crystal.cpp:216 #, fuzzy msgid "The unit cell is already reduced." msgstr "" @@ -2716,7 +2743,7 @@ msgstr "" msgid "Crystal" msgstr "Kristal ..." -#: qtplugins/crystal/crystal.h:64 +#: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" @@ -2813,7 +2840,7 @@ msgstr "Drugo" #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#: qtplugins/editor/editortoolwidget.cpp:208:1585 rc.cpp:1603 +#: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" msgstr "" @@ -2910,6 +2937,104 @@ msgstr "" msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" +#: qtplugins/forcefield/forcefield.cpp:75 +#, fuzzy +#| msgid "Optimization" +msgid "Optimize" +msgstr "Prilagajanje" + +#: qtplugins/forcefield/forcefield.cpp:91 +#, fuzzy +msgid "Configure…" +msgstr "Nastavitev polja sil ..." + +#: qtplugins/forcefield/forcefield.cpp:103 +#, fuzzy +#| msgid "Import Selected Atoms" +msgid "Freeze Selected Atoms" +msgstr "Uvozi izbrane atome" + +#: qtplugins/forcefield/forcefield.cpp:110 +#, fuzzy +#| msgid "Fix Selected Atoms" +msgid "Unfreeze Selected Atoms" +msgstr "Popravi izbrane atome" + +#: qtplugins/forcefield/forcefield.cpp:126 +#, fuzzy +#| msgid "Calculate" +msgid "&Calculate" +msgstr "Izračunaj" + +#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/openbabel/openbabel.cpp:525 +#, fuzzy +msgid "Optimize Geometry" +msgstr "&Prilagodi geometrijo" + +#: qtplugins/forcefield/forcefield.cpp:328 +#, fuzzy, qt-format +#| msgid "Energy = %L1 %2" +msgid "%1 Energy = %L2" +msgstr "Energija = %L1 %2" + +#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/playertool/playertool.cpp:343 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 +#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/yaehmop/yaehmop.cpp:534 +msgid "Avogadro" +msgstr "Avogadro" + +#: qtplugins/forcefield/forcefield.h:46 +#, fuzzy +#| msgid "Forcefield Optimization" +msgid "Forcefield optimization" +msgstr "Prilagajanje polja sil" + +#: qtplugins/forcefield/forcefield.h:50 +#, fuzzy +#| msgid "Forcefield Optimization" +msgid "Forcefield minimization, including scripts" +msgstr "Prilagajanje polja sil" + +#: qtplugins/forcefield/forcefielddialog.cpp:119 +#: qtplugins/openbabel/obforcefielddialog.cpp:319 +#, qt-format +msgid "Autodetect (%1)" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:77 +#, fuzzy +#| msgid "Force Field" +msgid "Universal Force Field" +msgstr "Polje sil" + +#: qtplugins/forcefield/obmmenergy.cpp:82 +msgid "Generalized Amber Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:96 +msgid "Merck Molecular Force Field 94" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:238 +#, qt-format +msgid "Error retrieving metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:248 +#, qt-format +msgid "Error parsing metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:256 +#, qt-format +msgid "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" +msgstr "" + #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "&GAMESS" @@ -3071,7 +3196,7 @@ msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:561 +#: qtplugins/insertdna/insertdna.cpp:168:600 msgid "Thymine" msgstr "Timin" @@ -3079,7 +3204,7 @@ msgstr "Timin" #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 -#: qtplugins/lineformatinput/lineformatinput.cpp:123:982 +#: qtplugins/lineformatinput/lineformatinput.cpp:123:1021 #, fuzzy #| msgid "Molecule" msgid "Insert Molecule…" @@ -3154,7 +3279,7 @@ msgstr "Razdalja" #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1261 +#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" msgstr "Brez" @@ -3381,7 +3506,7 @@ msgstr "Izmeri" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) -#: qtplugins/meshes/meshes.cpp:170:1519 +#: qtplugins/meshes/meshes.cpp:170:1558 msgid "Opacity:" msgstr "Prekrivnost:" @@ -3401,7 +3526,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:243 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 #, fuzzy msgid "&Analysis" msgstr "Analitično" @@ -3414,7 +3539,7 @@ msgstr "&Lastnosti" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::MolecularPropertiesDialog) -#: qtplugins/molecularproperties/molecularproperties.h:31:1042 +#: qtplugins/molecularproperties/molecularproperties.h:31:1081 msgid "Molecular Properties" msgstr "Lastnosti molekule" @@ -3439,7 +3564,7 @@ msgstr "Ni nastavljene molekule" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1072 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 #, fuzzy #| msgid "IUPAC Molecule Name:" msgid "Molecule Name:" @@ -3448,7 +3573,7 @@ msgstr "Ime po IUPAC-u:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1048 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1087 #, fuzzy msgid "Molecular Mass (g/mol):" msgstr "Molekulska masa (g/mol):" @@ -3456,21 +3581,21 @@ msgstr "Molekulska masa (g/mol):" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:221 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1054 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1093 msgid "Chemical Formula:" msgstr "Kemijska formula:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:63 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:223 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1060 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1099 msgid "Number of Atoms:" msgstr "Število atomov:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_8) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:225 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1066 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1105 msgid "Number of Bonds:" msgstr "Število vezi:" @@ -3552,16 +3677,6 @@ msgstr "Vodik" msgid "Chalcogen" msgstr "" -#: qtplugins/openbabel/obforcefielddialog.cpp:319 -#, qt-format -msgid "Autodetect (%1)" -msgstr "" - -#: qtplugins/openbabel/openbabel.cpp:45 qtplugins/openbabel/openbabel.cpp:523 -#, fuzzy -msgid "Optimize Geometry" -msgstr "&Prilagodi geometrijo" - #: qtplugins/openbabel/openbabel.cpp:52 #, fuzzy msgid "Configure Force Field…" @@ -3609,43 +3724,43 @@ msgstr "" msgid "Error parsing openbabel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:361 qtplugins/openbabel/openbabel.cpp:396 +#: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:387 +#: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:405 +#: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:430 +#: qtplugins/openbabel/openbabel.cpp:432 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "&Prilagodi geometrijo" -#: qtplugins/openbabel/openbabel.cpp:431 +#: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:450 +#: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:456 +#: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:470 qtplugins/openbabel/openbabel.cpp:478 +#: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format msgid "" "Step %1 of %2\n" @@ -3653,17 +3768,17 @@ msgid "" "dE: %4" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:492 +#: qtplugins/openbabel/openbabel.cpp:494 #, fuzzy msgid "Updating molecule…" msgstr "Ni nastavljene molekule" -#: qtplugins/openbabel/openbabel.cpp:500 qtplugins/openbabel/openbabel.cpp:581 -#: qtplugins/openbabel/openbabel.cpp:763 +#: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 +#: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:513 qtplugins/openbabel/openbabel.cpp:593 +#: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " @@ -3671,91 +3786,91 @@ msgid "" msgstr "" "Datoteka trajektorij %1 ni skladna s številom atomov v trenutni molekuli." -#: qtplugins/openbabel/openbabel.cpp:532 +#: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:538 +#: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:544 +#: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:545 +#: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:552 +#: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:563 +#: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:573 +#: qtplugins/openbabel/openbabel.cpp:575 #, fuzzy msgid "Updating molecule from Open Babel…" msgstr "Ni nastavljene molekule" -#: qtplugins/openbabel/openbabel.cpp:625 qtplugins/openbabel/openbabel.cpp:667 +#: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:630 qtplugins/openbabel/openbabel.cpp:680 +#: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Dodaj vodike" -#: qtplugins/openbabel/openbabel.cpp:631 +#: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:639 qtplugins/openbabel/openbabel.cpp:689 +#: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:652 qtplugins/openbabel/openbabel.cpp:702 -#: qtplugins/openbabel/openbabel.cpp:744 +#: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 +#: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "Add hydrogens for pH" msgstr "Dodaj vodike do vrednosti pH" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "pH:" msgstr "pH" -#: qtplugins/openbabel/openbabel.cpp:681 qtplugins/openbabel/openbabel.cpp:723 +#: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:717 +#: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:722 +#: qtplugins/openbabel/openbabel.cpp:724 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Odstrani vodike" -#: qtplugins/openbabel/openbabel.cpp:731 +#: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:754 +#: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:817 +#: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." @@ -3808,7 +3923,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) -#: qtplugins/openmminput/openmminputdialog.cpp:497:1162 +#: qtplugins/openmminput/openmminputdialog.cpp:497:1201 msgid "input.prmtop" msgstr "" @@ -3838,7 +3953,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 -#: qtplugins/openmminput/openmminputdialog.cpp:1069:1279 rc.cpp:1294 +#: qtplugins/openmminput/openmminputdialog.cpp:1069:1318 rc.cpp:1333 msgid "True" msgstr "" @@ -3884,7 +3999,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1636 +#: qtplugins/playertool/playertool.cpp:113:1675 #, fuzzy msgid "Frame:" msgstr "Sličice" @@ -3918,7 +4033,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:854 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 msgid "GIF (*.gif)" msgstr "" @@ -3935,18 +4050,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "datoteke posnetkov (*.avi)" -#: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:882 -#: qtplugins/surfaces/surfaces.cpp:926 qtplugins/surfaces/surfaces.cpp:938 -#: qtplugins/yaehmop/yaehmop.cpp:534 -msgid "Avogadro" -msgstr "Avogadro" - -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:927 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4398,14 +4506,20 @@ msgstr "" msgid "Generate input for quantum codes." msgstr "" -#: qtplugins/resetview/resetview.cpp:37 +#: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" -#: qtplugins/resetview/resetview.cpp:38 +#: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" +#: qtplugins/resetview/resetview.cpp:52 +#, fuzzy +#| msgid "Align Settings" +msgid "Align view to axes." +msgstr "Nastavitve poravnave" + #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" @@ -4552,7 +4666,7 @@ msgstr "Izbor po ostanku ..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1675 +#: qtplugins/select/select.h:30:1714 #, fuzzy msgid "Select" msgstr "&Izberi" @@ -4612,43 +4726,47 @@ msgstr "" msgid "New Layer" msgstr "Nova oznaka:" -#: qtplugins/spacegroup/spacegroup.cpp:49 +#: qtplugins/spacegroup/spacegroup.cpp:50 #, fuzzy msgid "Perceive Space Group…" msgstr "Zaznaj prostorsko skupino" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:67:1660 +#: qtplugins/spacegroup/spacegroup.cpp:68:1699 msgid "Symmetrize" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:72 +#: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Zapolni osnovno celico" -#: qtplugins/spacegroup/spacegroup.cpp:77 -#: qtplugins/spacegroup/spacegroup.cpp:294 +#: qtplugins/spacegroup/spacegroup.cpp:78 +#: qtplugins/spacegroup/spacegroup.cpp:315 msgid "Reduce to Asymmetric Unit" msgstr "Zmanjšaj na asimetrično enoto" -#: qtplugins/spacegroup/spacegroup.cpp:83 +#: qtplugins/spacegroup/spacegroup.cpp:84 #, fuzzy msgid "Set Tolerance…" msgstr "Odstopanje:" -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "Space Group" msgstr "Prostorska &skupina" -#: qtplugins/spacegroup/spacegroup.cpp:178 +#: qtplugins/spacegroup/spacegroup.cpp:112 +msgid "Fill symmetric atoms based on the crystal space group." +msgstr "" + +#: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:179 +#: qtplugins/spacegroup/spacegroup.cpp:200 #, fuzzy msgid "" "Space group perception failed.\n" @@ -4658,61 +4776,61 @@ msgstr "" "\n" "Ali želite poskusiti znova z drugačno nastavitvijo tolerance?" -#: qtplugins/spacegroup/spacegroup.cpp:194 +#: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:195 -#: qtplugins/spacegroup/spacegroup.cpp:220 -#: qtplugins/spacegroup/spacegroup.cpp:245 +#: qtplugins/spacegroup/spacegroup.cpp:216 +#: qtplugins/spacegroup/spacegroup.cpp:241 +#: qtplugins/spacegroup/spacegroup.cpp:266 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:208 +#: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:233 +#: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:257 +#: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:315 qtplugins/yaehmop/yaehmop.cpp:209 +#: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 #, fuzzy msgid "Avogadro2" msgstr "Avogadro" -#: qtplugins/spacegroup/spacegroup.cpp:316 +#: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" msgstr "Mednarodno" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hall" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" -#: qtplugins/spacegroup/spacegroup.cpp:345 +#: qtplugins/spacegroup/spacegroup.cpp:366 #, fuzzy msgid "Select Space Group" msgstr "Izbor prostorske skupine" @@ -4722,7 +4840,7 @@ msgstr "Izbor prostorske skupine" msgid "SpaceGroup" msgstr "Prostorska &skupina" -#: qtplugins/spacegroup/spacegroup.h:65 +#: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" @@ -4844,31 +4962,31 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:567 +#: qtplugins/surfaces/surfaces.cpp:568 #, fuzzy msgid "Calculating electron density" msgstr "Izračunavanje elektronske gostote" -#: qtplugins/surfaces/surfaces.cpp:576 +#: qtplugins/surfaces/surfaces.cpp:577 #, fuzzy msgid "Calculating spin density" msgstr "Izračunavanje elektronske gostote" -#: qtplugins/surfaces/surfaces.cpp:585 +#: qtplugins/surfaces/surfaces.cpp:586 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:831 qtplugins/surfaces/surfaces.cpp:859 +#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:833 +#: qtplugins/surfaces/surfaces.cpp:834 #, fuzzy msgid "Export Movie" msgstr "&Izvozi sliko" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:835 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4908,7 +5026,7 @@ msgstr "Simetrija" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1645 +#: qtplugins/symmetry/symmetry.h:34:1684 msgid "Symmetry" msgstr "Simetrija" @@ -5750,6 +5868,85 @@ msgstr "Element:" msgid "Bond Order:" msgstr "Vrsta vezi:" +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) +msgid "Geometry Optimization Parameters" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +msgid "Convergence Criteria" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label_2) +msgid "Energy convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 +#. i18n: ectx: property (text), widget (QLabel, label_5) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 +#. i18n: ectx: property (text), widget (QLabel, label_5) +msgid "Step limit:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 +#. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +msgid " units" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 +#. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +msgid "10^" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 +#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +msgid " steps" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QLabel, label_4) +msgid "Gradient convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +msgid "Optimization Method" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 +#. i18n: ectx: property (text), widget (QLabel, label) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Force field:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +msgid "Autodetect" +msgstr "" + #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" @@ -6560,21 +6757,6 @@ msgstr "Geometrija" msgid "TODO" msgstr "CILJI" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) -msgid "Geometry Optimization Parameters" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) -msgid "Optimization Method" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Force field:" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" @@ -6605,11 +6787,6 @@ msgstr "" msgid "Newton's Method" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 -#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) -msgid "Autodetect" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" @@ -6637,38 +6814,11 @@ msgstr "" msgid "Å" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 -#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 -#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) -msgid " steps" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) -msgid "Convergence Criteria" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 -#. i18n: ectx: property (text), widget (QLabel, label_5) -msgid "Step limit:" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 -#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) -msgid " units" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 -#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) -msgid "10^" -msgstr "" - #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" @@ -8446,15 +8596,9 @@ msgstr "" #~ "Ni mogoče nastaviti trenutno izbranega polja sil za to molekulo. Izbira " #~ "bo preklopljena na UFF." -#~ msgid "Energy = %L1 %2" -#~ msgstr "Energija = %L1 %2" - #~ msgid "Geometric Optimization" #~ msgstr "Prilagajanje geometrije" -#~ msgid "Forcefield Optimization" -#~ msgstr "Prilagajanje polja sil" - #~ msgid "Systematic Rotor Search" #~ msgstr "Sistematično iskanje vrtljivih vezi" @@ -10119,9 +10263,6 @@ msgstr "" #~ msgid "&Translate" #~ msgstr "&Preslikaj" -#~ msgid "&Keep atoms in unit cell" -#~ msgstr "&Združi atome v osnovno celico" - #~ msgid "Crystal View Options" #~ msgstr "Možnosti pogleda kristala" @@ -10170,9 +10311,6 @@ msgstr "" #~ msgid "Setup Force Field" #~ msgstr "Nastavitev polja sil" -#~ msgid "Force Field" -#~ msgstr "Polje sil" - #~ msgid "Ghemical" #~ msgstr "Ghemical" @@ -11218,9 +11356,6 @@ msgstr "" #~ msgid "Gradient" #~ msgstr "Prelivanje" -#~ msgid "Optimization" -#~ msgstr "Prilagajanje" - #~ msgid "Trudge" #~ msgstr "Trudge" @@ -12220,6 +12355,3 @@ msgstr "" #~ msgid "Z Matrix Editor" #~ msgstr "Urejevalnik matrike Z" - -#~ msgid "Import Selected Atoms" -#~ msgstr "Uvozi izbrane atome" diff --git a/i18n/sq.po b/i18n/sq.po index 7caf252965..afc896d836 100644 --- a/i18n/sq.po +++ b/i18n/sq.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-15 02:02+0000\n" +"POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2021-06-16 17:34+0000\n" "Last-Translator: Dillon Schultz \n" "Language-Team: Albanian \n" "Language-Team: Serbian \n" "Language-Team: Swedish \n" @@ -487,7 +487,7 @@ msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1708 +#: qtgui/elementtranslator.cpp:34:1747 msgid "Carbon" msgstr "Kol" @@ -569,13 +569,13 @@ msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1711 +#: qtgui/elementtranslator.cpp:94:1750 msgid "Iron" msgstr "Järn" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1714 +#: qtgui/elementtranslator.cpp:97:1753 msgid "Cobalt" msgstr "Kobolt" @@ -1059,7 +1059,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) -#: qtgui/jsonwidget.cpp:177:627 +#: qtgui/jsonwidget.cpp:177:666 msgid "Title" msgstr "" @@ -1244,27 +1244,27 @@ msgstr "" msgid "Warning '%1'" msgstr "" -#: qtgui/pythonscript.cpp:238 +#: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" -#: qtgui/pythonscript.cpp:241 +#: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" -#: qtgui/pythonscript.cpp:244 +#: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" -#: qtgui/pythonscript.cpp:247 +#: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" -#: qtgui/pythonscript.cpp:250 +#: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" -#: qtgui/pythonscript.cpp:254 +#: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" @@ -1295,7 +1295,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1528 +#: qtplugins/selectiontool/selectiontool.cpp:252:1567 msgid "Change Layer" msgstr "" @@ -1406,16 +1406,16 @@ msgstr "" msgid "Rotate to Standard Orientation" msgstr "" -#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:55 +#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" -#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:61 -#: qtplugins/spacegroup/spacegroup.cpp:219 +#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 +#: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" msgstr "" -#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:244 +#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 msgid "Symmetrize Cell" msgstr "" @@ -1613,14 +1613,14 @@ msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/openbabel/openbabel.cpp:204 qtplugins/openbabel/openbabel.cpp:213 -#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:360 -#: qtplugins/openbabel/openbabel.cpp:386 qtplugins/openbabel/openbabel.cpp:395 -#: qtplugins/openbabel/openbabel.cpp:449 qtplugins/openbabel/openbabel.cpp:499 -#: qtplugins/openbabel/openbabel.cpp:512 qtplugins/openbabel/openbabel.cpp:537 -#: qtplugins/openbabel/openbabel.cpp:551 qtplugins/openbabel/openbabel.cpp:580 -#: qtplugins/openbabel/openbabel.cpp:592 qtplugins/openbabel/openbabel.cpp:638 -#: qtplugins/openbabel/openbabel.cpp:688 qtplugins/openbabel/openbabel.cpp:730 -#: qtplugins/openbabel/openbabel.cpp:762 +#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:362 +#: qtplugins/openbabel/openbabel.cpp:388 qtplugins/openbabel/openbabel.cpp:397 +#: qtplugins/openbabel/openbabel.cpp:451 qtplugins/openbabel/openbabel.cpp:501 +#: qtplugins/openbabel/openbabel.cpp:514 qtplugins/openbabel/openbabel.cpp:539 +#: qtplugins/openbabel/openbabel.cpp:553 qtplugins/openbabel/openbabel.cpp:582 +#: qtplugins/openbabel/openbabel.cpp:594 qtplugins/openbabel/openbabel.cpp:640 +#: qtplugins/openbabel/openbabel.cpp:690 qtplugins/openbabel/openbabel.cpp:732 +#: qtplugins/openbabel/openbabel.cpp:764 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/quantuminput/quantuminput.cpp:111 msgid "Error" @@ -1699,25 +1699,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:734 +#: qtplugins/surfaces/surfaces.cpp:735 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:736 +#: qtplugins/surfaces/surfaces.cpp:737 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:738 +#: qtplugins/surfaces/surfaces.cpp:739 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:740 +#: qtplugins/surfaces/surfaces.cpp:741 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1725,7 +1725,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:742 +#: qtplugins/surfaces/surfaces.cpp:743 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1733,7 +1733,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:744 +#: qtplugins/surfaces/surfaces.cpp:745 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1741,7 +1741,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:746 +#: qtplugins/surfaces/surfaces.cpp:747 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1749,7 +1749,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:748 +#: qtplugins/surfaces/surfaces.cpp:749 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1757,7 +1757,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:750 +#: qtplugins/surfaces/surfaces.cpp:751 msgctxt "colormap" msgid "Cividis" msgstr "" @@ -1769,7 +1769,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:752:171 rc.cpp:1576 +#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" @@ -1779,7 +1779,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:754:168 rc.cpp:1573 +#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1789,7 +1789,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:756:162 rc.cpp:1567 +#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" @@ -1799,7 +1799,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:758:165 rc.cpp:1570 +#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1811,7 +1811,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1579 +#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1823,7 +1823,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 -#: qtplugins/resetview/resetview.cpp:57 +#: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Vy" @@ -1846,7 +1846,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1564 +#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 #, fuzzy msgid "Colormap:" msgstr "Rita atom" @@ -1959,6 +1959,19 @@ msgstr "" msgid "Bond" msgstr "" +#: qtplugins/bonding/bonding.cpp:74 +msgid "Remove bonds from all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:76 +msgid "Create bonds between all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:77 +#, fuzzy +msgid "Perceive bond orders." +msgstr "Dölj väte" + #: qtplugins/bonding/bonding.h:32 msgid "Bonding" msgstr "" @@ -2094,6 +2107,7 @@ msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 +#: qtplugins/forcefield/forcefield.cpp:126 #: qtplugins/openbabel/openbabel.cpp:107 #: qtplugins/plugindownloader/plugindownloader.cpp:40 #: qtplugins/quantuminput/quantuminput.cpp:69 qtplugins/yaehmop/yaehmop.cpp:112 @@ -2269,7 +2283,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1606 rc.cpp:1633 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 msgid "Custom" msgstr "" @@ -2414,6 +2428,7 @@ msgid "Generate input for CP2K." msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 +#: qtplugins/forcefield/forcefield.cpp:83 msgid "Energy" msgstr "" @@ -2451,13 +2466,13 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:680 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:719 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1252 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1291 msgid "PME" msgstr "" @@ -2567,7 +2582,7 @@ msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" @@ -2583,11 +2598,19 @@ msgstr "" msgid "Import Crystal from Clipboard" msgstr "" -#: qtplugins/crystal/crystal.cpp:193 +#: qtplugins/crystal/crystal.cpp:175 +msgid "Wrap atoms into the unit cell." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:177 +msgid "Rotate the unit cell to the standard orientation." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" -#: qtplugins/crystal/crystal.cpp:194 +#: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" @@ -2595,7 +2618,7 @@ msgstr "" msgid "Crystal" msgstr "" -#: qtplugins/crystal/crystal.h:64 +#: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" @@ -2679,7 +2702,7 @@ msgstr "" #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#: qtplugins/editor/editortoolwidget.cpp:208:1585 rc.cpp:1603 +#: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" msgstr "" @@ -2771,6 +2794,94 @@ msgstr "" msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" +#: qtplugins/forcefield/forcefield.cpp:75 +#, fuzzy +msgid "Optimize" +msgstr "&Optimera geometri" + +#: qtplugins/forcefield/forcefield.cpp:91 +#, fuzzy +msgid "Configure…" +msgstr "Kraftfält:" + +#: qtplugins/forcefield/forcefield.cpp:103 +#, fuzzy +msgid "Freeze Selected Atoms" +msgstr "Animering..." + +#: qtplugins/forcefield/forcefield.cpp:110 +#, fuzzy +msgid "Unfreeze Selected Atoms" +msgstr "Animering..." + +#: qtplugins/forcefield/forcefield.cpp:126 +msgid "&Calculate" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/openbabel/openbabel.cpp:525 +#, fuzzy +msgid "Optimize Geometry" +msgstr "&Optimera geometri" + +#: qtplugins/forcefield/forcefield.cpp:328 +#, qt-format +msgid "%1 Energy = %L2" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/playertool/playertool.cpp:343 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 +#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/yaehmop/yaehmop.cpp:534 +msgid "Avogadro" +msgstr "" + +#: qtplugins/forcefield/forcefield.h:46 +#, fuzzy +msgid "Forcefield optimization" +msgstr "Auto Optimering" + +#: qtplugins/forcefield/forcefield.h:50 +msgid "Forcefield minimization, including scripts" +msgstr "" + +#: qtplugins/forcefield/forcefielddialog.cpp:119 +#: qtplugins/openbabel/obforcefielddialog.cpp:319 +#, qt-format +msgid "Autodetect (%1)" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:77 +#, fuzzy +msgid "Universal Force Field" +msgstr "Kraftfält:" + +#: qtplugins/forcefield/obmmenergy.cpp:82 +msgid "Generalized Amber Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:96 +msgid "Merck Molecular Force Field 94" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:238 +#, qt-format +msgid "Error retrieving metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:248 +#, qt-format +msgid "Error parsing metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:256 +#, qt-format +msgid "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" +msgstr "" + #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" @@ -2928,7 +3039,7 @@ msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:561 +#: qtplugins/insertdna/insertdna.cpp:168:600 msgid "Thymine" msgstr "" @@ -2936,7 +3047,7 @@ msgstr "" #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 -#: qtplugins/lineformatinput/lineformatinput.cpp:123:982 +#: qtplugins/lineformatinput/lineformatinput.cpp:123:1021 msgid "Insert Molecule…" msgstr "" @@ -3007,7 +3118,7 @@ msgstr "Avstånd:" #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1261 +#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" msgstr "" @@ -3194,7 +3305,7 @@ msgstr "Mät" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) -#: qtplugins/meshes/meshes.cpp:170:1519 +#: qtplugins/meshes/meshes.cpp:170:1558 msgid "Opacity:" msgstr "" @@ -3214,7 +3325,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:243 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3226,7 +3337,7 @@ msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::MolecularPropertiesDialog) -#: qtplugins/molecularproperties/molecularproperties.h:31:1042 +#: qtplugins/molecularproperties/molecularproperties.h:31:1081 msgid "Molecular Properties" msgstr "" @@ -3252,7 +3363,7 @@ msgstr "okänd" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1072 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 #, fuzzy msgid "Molecule Name:" msgstr "Molekyldynamik (600 K)" @@ -3260,28 +3371,28 @@ msgstr "Molekyldynamik (600 K)" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1048 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1087 msgid "Molecular Mass (g/mol):" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:221 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1054 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1093 msgid "Chemical Formula:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:63 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:223 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1060 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1099 msgid "Number of Atoms:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_8) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:225 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1066 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1105 msgid "Number of Bonds:" msgstr "" @@ -3347,16 +3458,6 @@ msgstr "Väte" msgid "Chalcogen" msgstr "" -#: qtplugins/openbabel/obforcefielddialog.cpp:319 -#, qt-format -msgid "Autodetect (%1)" -msgstr "" - -#: qtplugins/openbabel/openbabel.cpp:45 qtplugins/openbabel/openbabel.cpp:523 -#, fuzzy -msgid "Optimize Geometry" -msgstr "&Optimera geometri" - #: qtplugins/openbabel/openbabel.cpp:52 #, fuzzy msgid "Configure Force Field…" @@ -3404,43 +3505,43 @@ msgstr "" msgid "Error parsing openbabel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:361 qtplugins/openbabel/openbabel.cpp:396 +#: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:387 +#: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:405 +#: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:430 +#: qtplugins/openbabel/openbabel.cpp:432 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "&Optimera geometri" -#: qtplugins/openbabel/openbabel.cpp:431 +#: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:450 +#: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:456 +#: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:470 qtplugins/openbabel/openbabel.cpp:478 +#: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format msgid "" "Step %1 of %2\n" @@ -3448,106 +3549,106 @@ msgid "" "dE: %4" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:492 +#: qtplugins/openbabel/openbabel.cpp:494 msgid "Updating molecule…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:500 qtplugins/openbabel/openbabel.cpp:581 -#: qtplugins/openbabel/openbabel.cpp:763 +#: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 +#: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:513 qtplugins/openbabel/openbabel.cpp:593 +#: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:532 +#: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:538 +#: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:544 +#: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:545 +#: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:552 +#: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:563 +#: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:573 +#: qtplugins/openbabel/openbabel.cpp:575 msgid "Updating molecule from Open Babel…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:625 qtplugins/openbabel/openbabel.cpp:667 +#: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:630 qtplugins/openbabel/openbabel.cpp:680 +#: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Visa väte" -#: qtplugins/openbabel/openbabel.cpp:631 +#: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:639 qtplugins/openbabel/openbabel.cpp:689 +#: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:652 qtplugins/openbabel/openbabel.cpp:702 -#: qtplugins/openbabel/openbabel.cpp:744 +#: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 +#: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "Add hydrogens for pH" msgstr "Visa väte för pH" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 #, fuzzy msgid "pH:" msgstr "pH" -#: qtplugins/openbabel/openbabel.cpp:681 qtplugins/openbabel/openbabel.cpp:723 +#: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:717 +#: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:722 +#: qtplugins/openbabel/openbabel.cpp:724 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Dölj väte" -#: qtplugins/openbabel/openbabel.cpp:731 +#: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:754 +#: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:817 +#: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." @@ -3597,7 +3698,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) -#: qtplugins/openmminput/openmminputdialog.cpp:497:1162 +#: qtplugins/openmminput/openmminputdialog.cpp:497:1201 msgid "input.prmtop" msgstr "" @@ -3627,7 +3728,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 -#: qtplugins/openmminput/openmminputdialog.cpp:1069:1279 rc.cpp:1294 +#: qtplugins/openmminput/openmminputdialog.cpp:1069:1318 rc.cpp:1333 msgid "True" msgstr "" @@ -3672,7 +3773,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1636 +#: qtplugins/playertool/playertool.cpp:113:1675 msgid "Frame:" msgstr "" @@ -3704,7 +3805,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:854 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 msgid "GIF (*.gif)" msgstr "" @@ -3720,18 +3821,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "" -#: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:882 -#: qtplugins/surfaces/surfaces.cpp:926 qtplugins/surfaces/surfaces.cpp:938 -#: qtplugins/yaehmop/yaehmop.cpp:534 -msgid "Avogadro" -msgstr "" - -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:927 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4175,14 +4269,18 @@ msgstr "" msgid "Generate input for quantum codes." msgstr "" -#: qtplugins/resetview/resetview.cpp:37 +#: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" -#: qtplugins/resetview/resetview.cpp:38 +#: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" +#: qtplugins/resetview/resetview.cpp:52 +msgid "Align view to axes." +msgstr "" + #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" @@ -4314,7 +4412,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1675 +#: qtplugins/select/select.h:30:1714 msgid "Select" msgstr "" @@ -4348,97 +4446,101 @@ msgstr "" msgid "New Layer" msgstr "Dölj väte" -#: qtplugins/spacegroup/spacegroup.cpp:49 +#: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:67:1660 +#: qtplugins/spacegroup/spacegroup.cpp:68:1699 msgid "Symmetrize" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:72 +#: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:77 -#: qtplugins/spacegroup/spacegroup.cpp:294 +#: qtplugins/spacegroup/spacegroup.cpp:78 +#: qtplugins/spacegroup/spacegroup.cpp:315 msgid "Reduce to Asymmetric Unit" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:83 +#: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:178 +#: qtplugins/spacegroup/spacegroup.cpp:112 +msgid "Fill symmetric atoms based on the crystal space group." +msgstr "" + +#: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:179 +#: qtplugins/spacegroup/spacegroup.cpp:200 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:194 +#: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:195 -#: qtplugins/spacegroup/spacegroup.cpp:220 -#: qtplugins/spacegroup/spacegroup.cpp:245 +#: qtplugins/spacegroup/spacegroup.cpp:216 +#: qtplugins/spacegroup/spacegroup.cpp:241 +#: qtplugins/spacegroup/spacegroup.cpp:266 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:208 +#: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:233 +#: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:257 +#: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:315 qtplugins/yaehmop/yaehmop.cpp:209 +#: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:316 +#: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hall" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hermann-Mauguin" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:345 +#: qtplugins/spacegroup/spacegroup.cpp:366 msgid "Select Space Group" msgstr "" @@ -4446,7 +4548,7 @@ msgstr "" msgid "SpaceGroup" msgstr "" -#: qtplugins/spacegroup/spacegroup.h:65 +#: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" @@ -4560,29 +4662,29 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:567 +#: qtplugins/surfaces/surfaces.cpp:568 msgid "Calculating electron density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:576 +#: qtplugins/surfaces/surfaces.cpp:577 msgid "Calculating spin density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:585 +#: qtplugins/surfaces/surfaces.cpp:586 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:831 qtplugins/surfaces/surfaces.cpp:859 +#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:833 +#: qtplugins/surfaces/surfaces.cpp:834 #, fuzzy msgid "Export Movie" msgstr "Exportera" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:835 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4620,7 +4722,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1645 +#: qtplugins/symmetry/symmetry.h:34:1684 msgid "Symmetry" msgstr "" @@ -5448,6 +5550,85 @@ msgstr "Gundämne:" msgid "Bond Order:" msgstr "Bindningsordning:" +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) +msgid "Geometry Optimization Parameters" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +msgid "Convergence Criteria" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label_2) +msgid "Energy convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 +#. i18n: ectx: property (text), widget (QLabel, label_5) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 +#. i18n: ectx: property (text), widget (QLabel, label_5) +msgid "Step limit:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 +#. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +msgid " units" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 +#. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +msgid "10^" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 +#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +msgid " steps" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QLabel, label_4) +msgid "Gradient convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +msgid "Optimization Method" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 +#. i18n: ectx: property (text), widget (QLabel, label) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Force field:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +msgid "Autodetect" +msgstr "" + #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" @@ -6249,21 +6430,6 @@ msgstr "&Optimera geometri" msgid "TODO" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) -msgid "Geometry Optimization Parameters" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) -msgid "Optimization Method" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Force field:" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" @@ -6294,11 +6460,6 @@ msgstr "" msgid "Newton's Method" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 -#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) -msgid "Autodetect" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" @@ -6326,38 +6487,11 @@ msgstr "" msgid "Å" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 -#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 -#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) -msgid " steps" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) -msgid "Convergence Criteria" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 -#. i18n: ectx: property (text), widget (QLabel, label_5) -msgid "Step limit:" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 -#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) -msgid " units" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 -#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) -msgid "10^" -msgstr "" - #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" diff --git a/i18n/ta.po b/i18n/ta.po index 6e9b629ebb..20af5d9bc7 100644 --- a/i18n/ta.po +++ b/i18n/ta.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-15 02:02+0000\n" +"POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: Automatically generated\n" "Language-Team: none\n" @@ -486,7 +486,7 @@ msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1708 +#: qtgui/elementtranslator.cpp:34:1747 msgid "Carbon" msgstr "" @@ -568,13 +568,13 @@ msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1711 +#: qtgui/elementtranslator.cpp:94:1750 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1714 +#: qtgui/elementtranslator.cpp:97:1753 msgid "Cobalt" msgstr "" @@ -1058,7 +1058,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) -#: qtgui/jsonwidget.cpp:177:627 +#: qtgui/jsonwidget.cpp:177:666 msgid "Title" msgstr "" @@ -1239,27 +1239,27 @@ msgstr "" msgid "Warning '%1'" msgstr "" -#: qtgui/pythonscript.cpp:238 +#: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" -#: qtgui/pythonscript.cpp:241 +#: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" -#: qtgui/pythonscript.cpp:244 +#: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" -#: qtgui/pythonscript.cpp:247 +#: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" -#: qtgui/pythonscript.cpp:250 +#: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" -#: qtgui/pythonscript.cpp:254 +#: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" @@ -1288,7 +1288,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1528 +#: qtplugins/selectiontool/selectiontool.cpp:252:1567 msgid "Change Layer" msgstr "" @@ -1395,16 +1395,16 @@ msgstr "" msgid "Rotate to Standard Orientation" msgstr "" -#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:55 +#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" -#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:61 -#: qtplugins/spacegroup/spacegroup.cpp:219 +#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 +#: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" msgstr "" -#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:244 +#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 msgid "Symmetrize Cell" msgstr "" @@ -1597,14 +1597,14 @@ msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/openbabel/openbabel.cpp:204 qtplugins/openbabel/openbabel.cpp:213 -#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:360 -#: qtplugins/openbabel/openbabel.cpp:386 qtplugins/openbabel/openbabel.cpp:395 -#: qtplugins/openbabel/openbabel.cpp:449 qtplugins/openbabel/openbabel.cpp:499 -#: qtplugins/openbabel/openbabel.cpp:512 qtplugins/openbabel/openbabel.cpp:537 -#: qtplugins/openbabel/openbabel.cpp:551 qtplugins/openbabel/openbabel.cpp:580 -#: qtplugins/openbabel/openbabel.cpp:592 qtplugins/openbabel/openbabel.cpp:638 -#: qtplugins/openbabel/openbabel.cpp:688 qtplugins/openbabel/openbabel.cpp:730 -#: qtplugins/openbabel/openbabel.cpp:762 +#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:362 +#: qtplugins/openbabel/openbabel.cpp:388 qtplugins/openbabel/openbabel.cpp:397 +#: qtplugins/openbabel/openbabel.cpp:451 qtplugins/openbabel/openbabel.cpp:501 +#: qtplugins/openbabel/openbabel.cpp:514 qtplugins/openbabel/openbabel.cpp:539 +#: qtplugins/openbabel/openbabel.cpp:553 qtplugins/openbabel/openbabel.cpp:582 +#: qtplugins/openbabel/openbabel.cpp:594 qtplugins/openbabel/openbabel.cpp:640 +#: qtplugins/openbabel/openbabel.cpp:690 qtplugins/openbabel/openbabel.cpp:732 +#: qtplugins/openbabel/openbabel.cpp:764 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/quantuminput/quantuminput.cpp:111 msgid "Error" @@ -1678,25 +1678,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:734 +#: qtplugins/surfaces/surfaces.cpp:735 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:736 +#: qtplugins/surfaces/surfaces.cpp:737 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:738 +#: qtplugins/surfaces/surfaces.cpp:739 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:740 +#: qtplugins/surfaces/surfaces.cpp:741 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1704,7 +1704,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:742 +#: qtplugins/surfaces/surfaces.cpp:743 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1712,7 +1712,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:744 +#: qtplugins/surfaces/surfaces.cpp:745 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1720,7 +1720,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:746 +#: qtplugins/surfaces/surfaces.cpp:747 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1728,7 +1728,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:748 +#: qtplugins/surfaces/surfaces.cpp:749 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1736,7 +1736,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:750 +#: qtplugins/surfaces/surfaces.cpp:751 msgctxt "colormap" msgid "Cividis" msgstr "" @@ -1748,7 +1748,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:752:171 rc.cpp:1576 +#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" @@ -1758,7 +1758,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:754:168 rc.cpp:1573 +#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1768,7 +1768,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:756:162 rc.cpp:1567 +#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" @@ -1778,7 +1778,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:758:165 rc.cpp:1570 +#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1790,7 +1790,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1579 +#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1802,7 +1802,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 -#: qtplugins/resetview/resetview.cpp:57 +#: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "" @@ -1824,7 +1824,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1564 +#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 msgid "Colormap:" msgstr "" @@ -1932,6 +1932,18 @@ msgstr "" msgid "Bond" msgstr "" +#: qtplugins/bonding/bonding.cpp:74 +msgid "Remove bonds from all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:76 +msgid "Create bonds between all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:77 +msgid "Perceive bond orders." +msgstr "" + #: qtplugins/bonding/bonding.h:32 msgid "Bonding" msgstr "" @@ -2064,6 +2076,7 @@ msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 +#: qtplugins/forcefield/forcefield.cpp:126 #: qtplugins/openbabel/openbabel.cpp:107 #: qtplugins/plugindownloader/plugindownloader.cpp:40 #: qtplugins/quantuminput/quantuminput.cpp:69 qtplugins/yaehmop/yaehmop.cpp:112 @@ -2237,7 +2250,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1606 rc.cpp:1633 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 msgid "Custom" msgstr "" @@ -2381,6 +2394,7 @@ msgid "Generate input for CP2K." msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 +#: qtplugins/forcefield/forcefield.cpp:83 msgid "Energy" msgstr "" @@ -2415,13 +2429,13 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:680 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:719 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1252 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1291 msgid "PME" msgstr "" @@ -2531,7 +2545,7 @@ msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" @@ -2547,11 +2561,19 @@ msgstr "" msgid "Import Crystal from Clipboard" msgstr "" -#: qtplugins/crystal/crystal.cpp:193 +#: qtplugins/crystal/crystal.cpp:175 +msgid "Wrap atoms into the unit cell." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:177 +msgid "Rotate the unit cell to the standard orientation." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" -#: qtplugins/crystal/crystal.cpp:194 +#: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" @@ -2559,7 +2581,7 @@ msgstr "" msgid "Crystal" msgstr "" -#: qtplugins/crystal/crystal.h:64 +#: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" @@ -2642,7 +2664,7 @@ msgstr "" #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#: qtplugins/editor/editortoolwidget.cpp:208:1585 rc.cpp:1603 +#: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" msgstr "" @@ -2733,6 +2755,87 @@ msgstr "" msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" +#: qtplugins/forcefield/forcefield.cpp:75 +msgid "Optimize" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:91 +msgid "Configure…" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:103 +msgid "Freeze Selected Atoms" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:110 +msgid "Unfreeze Selected Atoms" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:126 +msgid "&Calculate" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/openbabel/openbabel.cpp:525 +msgid "Optimize Geometry" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:328 +#, qt-format +msgid "%1 Energy = %L2" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/playertool/playertool.cpp:343 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 +#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/yaehmop/yaehmop.cpp:534 +msgid "Avogadro" +msgstr "" + +#: qtplugins/forcefield/forcefield.h:46 +msgid "Forcefield optimization" +msgstr "" + +#: qtplugins/forcefield/forcefield.h:50 +msgid "Forcefield minimization, including scripts" +msgstr "" + +#: qtplugins/forcefield/forcefielddialog.cpp:119 +#: qtplugins/openbabel/obforcefielddialog.cpp:319 +#, qt-format +msgid "Autodetect (%1)" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:77 +msgid "Universal Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:82 +msgid "Generalized Amber Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:96 +msgid "Merck Molecular Force Field 94" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:238 +#, qt-format +msgid "Error retrieving metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:248 +#, qt-format +msgid "Error parsing metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:256 +#, qt-format +msgid "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" +msgstr "" + #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" @@ -2883,7 +2986,7 @@ msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:561 +#: qtplugins/insertdna/insertdna.cpp:168:600 msgid "Thymine" msgstr "" @@ -2891,7 +2994,7 @@ msgstr "" #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 -#: qtplugins/lineformatinput/lineformatinput.cpp:123:982 +#: qtplugins/lineformatinput/lineformatinput.cpp:123:1021 msgid "Insert Molecule…" msgstr "" @@ -2956,7 +3059,7 @@ msgstr "" #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1261 +#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" msgstr "" @@ -3137,7 +3240,7 @@ msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) -#: qtplugins/meshes/meshes.cpp:170:1519 +#: qtplugins/meshes/meshes.cpp:170:1558 msgid "Opacity:" msgstr "" @@ -3156,7 +3259,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:243 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3168,7 +3271,7 @@ msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::MolecularPropertiesDialog) -#: qtplugins/molecularproperties/molecularproperties.h:31:1042 +#: qtplugins/molecularproperties/molecularproperties.h:31:1081 msgid "Molecular Properties" msgstr "" @@ -3191,35 +3294,35 @@ msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1072 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 msgid "Molecule Name:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1048 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1087 msgid "Molecular Mass (g/mol):" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:221 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1054 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1093 msgid "Chemical Formula:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:63 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:223 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1060 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1099 msgid "Number of Atoms:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_8) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:225 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1066 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1105 msgid "Number of Bonds:" msgstr "" @@ -3282,15 +3385,6 @@ msgstr "" msgid "Chalcogen" msgstr "" -#: qtplugins/openbabel/obforcefielddialog.cpp:319 -#, qt-format -msgid "Autodetect (%1)" -msgstr "" - -#: qtplugins/openbabel/openbabel.cpp:45 qtplugins/openbabel/openbabel.cpp:523 -msgid "Optimize Geometry" -msgstr "" - #: qtplugins/openbabel/openbabel.cpp:52 msgid "Configure Force Field…" msgstr "" @@ -3334,42 +3428,42 @@ msgstr "" msgid "Error parsing openbabel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:361 qtplugins/openbabel/openbabel.cpp:396 +#: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:387 +#: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:405 +#: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:430 +#: qtplugins/openbabel/openbabel.cpp:432 msgid "Optimizing Geometry (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:431 +#: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:450 +#: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:456 +#: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:470 qtplugins/openbabel/openbabel.cpp:478 +#: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format msgid "" "Step %1 of %2\n" @@ -3377,102 +3471,102 @@ msgid "" "dE: %4" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:492 +#: qtplugins/openbabel/openbabel.cpp:494 msgid "Updating molecule…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:500 qtplugins/openbabel/openbabel.cpp:581 -#: qtplugins/openbabel/openbabel.cpp:763 +#: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 +#: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:513 qtplugins/openbabel/openbabel.cpp:593 +#: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:532 +#: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:538 +#: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:544 +#: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:545 +#: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:552 +#: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:563 +#: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:573 +#: qtplugins/openbabel/openbabel.cpp:575 msgid "Updating molecule from Open Babel…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:625 qtplugins/openbabel/openbabel.cpp:667 +#: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:630 qtplugins/openbabel/openbabel.cpp:680 +#: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 msgid "Adding Hydrogens (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:631 +#: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:639 qtplugins/openbabel/openbabel.cpp:689 +#: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:652 qtplugins/openbabel/openbabel.cpp:702 -#: qtplugins/openbabel/openbabel.cpp:744 +#: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 +#: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 msgid "Add hydrogens for pH" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 msgid "pH:" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:681 qtplugins/openbabel/openbabel.cpp:723 +#: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:717 +#: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:722 +#: qtplugins/openbabel/openbabel.cpp:724 msgid "Removing Hydrogens (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:731 +#: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:754 +#: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:817 +#: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." @@ -3522,7 +3616,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) -#: qtplugins/openmminput/openmminputdialog.cpp:497:1162 +#: qtplugins/openmminput/openmminputdialog.cpp:497:1201 msgid "input.prmtop" msgstr "" @@ -3552,7 +3646,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 -#: qtplugins/openmminput/openmminputdialog.cpp:1069:1279 rc.cpp:1294 +#: qtplugins/openmminput/openmminputdialog.cpp:1069:1318 rc.cpp:1333 msgid "True" msgstr "" @@ -3595,7 +3689,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1636 +#: qtplugins/playertool/playertool.cpp:113:1675 msgid "Frame:" msgstr "" @@ -3627,7 +3721,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:854 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 msgid "GIF (*.gif)" msgstr "" @@ -3643,18 +3737,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "" -#: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:882 -#: qtplugins/surfaces/surfaces.cpp:926 qtplugins/surfaces/surfaces.cpp:938 -#: qtplugins/yaehmop/yaehmop.cpp:534 -msgid "Avogadro" -msgstr "" - -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:927 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4066,14 +4153,18 @@ msgstr "" msgid "Generate input for quantum codes." msgstr "" -#: qtplugins/resetview/resetview.cpp:37 +#: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" -#: qtplugins/resetview/resetview.cpp:38 +#: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" +#: qtplugins/resetview/resetview.cpp:52 +msgid "Align view to axes." +msgstr "" + #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" @@ -4196,7 +4287,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1675 +#: qtplugins/select/select.h:30:1714 msgid "Select" msgstr "" @@ -4228,97 +4319,101 @@ msgstr "" msgid "New Layer" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:49 +#: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:67:1660 +#: qtplugins/spacegroup/spacegroup.cpp:68:1699 msgid "Symmetrize" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:72 +#: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:77 -#: qtplugins/spacegroup/spacegroup.cpp:294 +#: qtplugins/spacegroup/spacegroup.cpp:78 +#: qtplugins/spacegroup/spacegroup.cpp:315 msgid "Reduce to Asymmetric Unit" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:83 +#: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:178 +#: qtplugins/spacegroup/spacegroup.cpp:112 +msgid "Fill symmetric atoms based on the crystal space group." +msgstr "" + +#: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:179 +#: qtplugins/spacegroup/spacegroup.cpp:200 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:194 +#: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:195 -#: qtplugins/spacegroup/spacegroup.cpp:220 -#: qtplugins/spacegroup/spacegroup.cpp:245 +#: qtplugins/spacegroup/spacegroup.cpp:216 +#: qtplugins/spacegroup/spacegroup.cpp:241 +#: qtplugins/spacegroup/spacegroup.cpp:266 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:208 +#: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:233 +#: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:257 +#: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:315 qtplugins/yaehmop/yaehmop.cpp:209 +#: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:316 +#: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hall" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hermann-Mauguin" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:345 +#: qtplugins/spacegroup/spacegroup.cpp:366 msgid "Select Space Group" msgstr "" @@ -4326,7 +4421,7 @@ msgstr "" msgid "SpaceGroup" msgstr "" -#: qtplugins/spacegroup/spacegroup.h:65 +#: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" @@ -4434,28 +4529,28 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:567 +#: qtplugins/surfaces/surfaces.cpp:568 msgid "Calculating electron density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:576 +#: qtplugins/surfaces/surfaces.cpp:577 msgid "Calculating spin density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:585 +#: qtplugins/surfaces/surfaces.cpp:586 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:831 qtplugins/surfaces/surfaces.cpp:859 +#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:833 +#: qtplugins/surfaces/surfaces.cpp:834 msgid "Export Movie" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:835 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4493,7 +4588,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1645 +#: qtplugins/symmetry/symmetry.h:34:1684 msgid "Symmetry" msgstr "" @@ -5315,6 +5410,85 @@ msgstr "" msgid "Bond Order:" msgstr "" +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) +msgid "Geometry Optimization Parameters" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +msgid "Convergence Criteria" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label_2) +msgid "Energy convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 +#. i18n: ectx: property (text), widget (QLabel, label_5) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 +#. i18n: ectx: property (text), widget (QLabel, label_5) +msgid "Step limit:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 +#. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +msgid " units" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 +#. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +msgid "10^" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 +#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +msgid " steps" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QLabel, label_4) +msgid "Gradient convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +msgid "Optimization Method" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 +#. i18n: ectx: property (text), widget (QLabel, label) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Force field:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +msgid "Autodetect" +msgstr "" + #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" @@ -6109,21 +6283,6 @@ msgstr "" msgid "TODO" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) -msgid "Geometry Optimization Parameters" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) -msgid "Optimization Method" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Force field:" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" @@ -6154,11 +6313,6 @@ msgstr "" msgid "Newton's Method" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 -#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) -msgid "Autodetect" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" @@ -6186,38 +6340,11 @@ msgstr "" msgid "Å" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 -#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 -#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) -msgid " steps" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) -msgid "Convergence Criteria" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 -#. i18n: ectx: property (text), widget (QLabel, label_5) -msgid "Step limit:" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 -#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) -msgid " units" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 -#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) -msgid "10^" -msgstr "" - #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" diff --git a/i18n/te.po b/i18n/te.po index 7d2063578e..e4792042cd 100644 --- a/i18n/te.po +++ b/i18n/te.po @@ -6,7 +6,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-15 02:02+0000\n" +"POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-10-11 16:27+0000\n" "Last-Translator: Balavamsi Krishna \n" "Language-Team: Telugu \n" "Language-Team: Thai \n" @@ -487,7 +487,7 @@ msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1708 +#: qtgui/elementtranslator.cpp:34:1747 msgid "Carbon" msgstr "" @@ -569,13 +569,13 @@ msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1711 +#: qtgui/elementtranslator.cpp:94:1750 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1714 +#: qtgui/elementtranslator.cpp:97:1753 msgid "Cobalt" msgstr "" @@ -1059,7 +1059,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) -#: qtgui/jsonwidget.cpp:177:627 +#: qtgui/jsonwidget.cpp:177:666 msgid "Title" msgstr "" @@ -1240,27 +1240,27 @@ msgstr "" msgid "Warning '%1'" msgstr "" -#: qtgui/pythonscript.cpp:238 +#: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" -#: qtgui/pythonscript.cpp:241 +#: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" -#: qtgui/pythonscript.cpp:244 +#: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" -#: qtgui/pythonscript.cpp:247 +#: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" -#: qtgui/pythonscript.cpp:250 +#: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" -#: qtgui/pythonscript.cpp:254 +#: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" @@ -1289,7 +1289,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1528 +#: qtplugins/selectiontool/selectiontool.cpp:252:1567 msgid "Change Layer" msgstr "" @@ -1396,16 +1396,16 @@ msgstr "" msgid "Rotate to Standard Orientation" msgstr "" -#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:55 +#: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" -#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:61 -#: qtplugins/spacegroup/spacegroup.cpp:219 +#: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 +#: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" msgstr "" -#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:244 +#: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 msgid "Symmetrize Cell" msgstr "" @@ -1598,14 +1598,14 @@ msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/openbabel/openbabel.cpp:204 qtplugins/openbabel/openbabel.cpp:213 -#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:360 -#: qtplugins/openbabel/openbabel.cpp:386 qtplugins/openbabel/openbabel.cpp:395 -#: qtplugins/openbabel/openbabel.cpp:449 qtplugins/openbabel/openbabel.cpp:499 -#: qtplugins/openbabel/openbabel.cpp:512 qtplugins/openbabel/openbabel.cpp:537 -#: qtplugins/openbabel/openbabel.cpp:551 qtplugins/openbabel/openbabel.cpp:580 -#: qtplugins/openbabel/openbabel.cpp:592 qtplugins/openbabel/openbabel.cpp:638 -#: qtplugins/openbabel/openbabel.cpp:688 qtplugins/openbabel/openbabel.cpp:730 -#: qtplugins/openbabel/openbabel.cpp:762 +#: qtplugins/openbabel/openbabel.cpp:223 qtplugins/openbabel/openbabel.cpp:362 +#: qtplugins/openbabel/openbabel.cpp:388 qtplugins/openbabel/openbabel.cpp:397 +#: qtplugins/openbabel/openbabel.cpp:451 qtplugins/openbabel/openbabel.cpp:501 +#: qtplugins/openbabel/openbabel.cpp:514 qtplugins/openbabel/openbabel.cpp:539 +#: qtplugins/openbabel/openbabel.cpp:553 qtplugins/openbabel/openbabel.cpp:582 +#: qtplugins/openbabel/openbabel.cpp:594 qtplugins/openbabel/openbabel.cpp:640 +#: qtplugins/openbabel/openbabel.cpp:690 qtplugins/openbabel/openbabel.cpp:732 +#: qtplugins/openbabel/openbabel.cpp:764 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/quantuminput/quantuminput.cpp:111 msgid "Error" @@ -1680,25 +1680,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:734 +#: qtplugins/surfaces/surfaces.cpp:735 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:736 +#: qtplugins/surfaces/surfaces.cpp:737 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:738 +#: qtplugins/surfaces/surfaces.cpp:739 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:740 +#: qtplugins/surfaces/surfaces.cpp:741 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1706,7 +1706,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:742 +#: qtplugins/surfaces/surfaces.cpp:743 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1714,7 +1714,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:744 +#: qtplugins/surfaces/surfaces.cpp:745 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1722,7 +1722,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:746 +#: qtplugins/surfaces/surfaces.cpp:747 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1730,7 +1730,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:748 +#: qtplugins/surfaces/surfaces.cpp:749 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1738,7 +1738,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:750 +#: qtplugins/surfaces/surfaces.cpp:751 msgctxt "colormap" msgid "Cividis" msgstr "" @@ -1750,7 +1750,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:752:171 rc.cpp:1576 +#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" @@ -1760,7 +1760,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:754:168 rc.cpp:1573 +#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1770,7 +1770,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:756:162 rc.cpp:1567 +#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" @@ -1780,7 +1780,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:758:165 rc.cpp:1570 +#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1792,7 +1792,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1579 +#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1804,7 +1804,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 -#: qtplugins/resetview/resetview.cpp:57 +#: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "" @@ -1826,7 +1826,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1564 +#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 msgid "Colormap:" msgstr "" @@ -1934,6 +1934,18 @@ msgstr "" msgid "Bond" msgstr "" +#: qtplugins/bonding/bonding.cpp:74 +msgid "Remove bonds from all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:76 +msgid "Create bonds between all or selected atoms." +msgstr "" + +#: qtplugins/bonding/bonding.cpp:77 +msgid "Perceive bond orders." +msgstr "" + #: qtplugins/bonding/bonding.h:32 msgid "Bonding" msgstr "" @@ -2066,6 +2078,7 @@ msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 +#: qtplugins/forcefield/forcefield.cpp:126 #: qtplugins/openbabel/openbabel.cpp:107 #: qtplugins/plugindownloader/plugindownloader.cpp:40 #: qtplugins/quantuminput/quantuminput.cpp:69 qtplugins/yaehmop/yaehmop.cpp:112 @@ -2239,7 +2252,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1606 rc.cpp:1633 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 msgid "Custom" msgstr "" @@ -2383,6 +2396,7 @@ msgid "Generate input for CP2K." msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 +#: qtplugins/forcefield/forcefield.cpp:83 msgid "Energy" msgstr "" @@ -2417,13 +2431,13 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:680 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:719 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) -#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1252 +#: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1291 msgid "PME" msgstr "" @@ -2533,7 +2547,7 @@ msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" @@ -2549,11 +2563,19 @@ msgstr "" msgid "Import Crystal from Clipboard" msgstr "" -#: qtplugins/crystal/crystal.cpp:193 +#: qtplugins/crystal/crystal.cpp:175 +msgid "Wrap atoms into the unit cell." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:177 +msgid "Rotate the unit cell to the standard orientation." +msgstr "" + +#: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" -#: qtplugins/crystal/crystal.cpp:194 +#: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" @@ -2561,7 +2583,7 @@ msgstr "" msgid "Crystal" msgstr "" -#: qtplugins/crystal/crystal.h:64 +#: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" @@ -2644,7 +2666,7 @@ msgstr "" #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#: qtplugins/editor/editortoolwidget.cpp:208:1585 rc.cpp:1603 +#: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" msgstr "" @@ -2735,6 +2757,87 @@ msgstr "" msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" +#: qtplugins/forcefield/forcefield.cpp:75 +msgid "Optimize" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:91 +msgid "Configure…" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:103 +msgid "Freeze Selected Atoms" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:110 +msgid "Unfreeze Selected Atoms" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:126 +msgid "&Calculate" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/openbabel/openbabel.cpp:525 +msgid "Optimize Geometry" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:328 +#, qt-format +msgid "%1 Energy = %L2" +msgstr "" + +#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/playertool/playertool.cpp:343 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 +#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/yaehmop/yaehmop.cpp:534 +msgid "Avogadro" +msgstr "" + +#: qtplugins/forcefield/forcefield.h:46 +msgid "Forcefield optimization" +msgstr "" + +#: qtplugins/forcefield/forcefield.h:50 +msgid "Forcefield minimization, including scripts" +msgstr "" + +#: qtplugins/forcefield/forcefielddialog.cpp:119 +#: qtplugins/openbabel/obforcefielddialog.cpp:319 +#, qt-format +msgid "Autodetect (%1)" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:77 +msgid "Universal Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:82 +msgid "Generalized Amber Force Field" +msgstr "" + +#: qtplugins/forcefield/obmmenergy.cpp:96 +msgid "Merck Molecular Force Field 94" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:238 +#, qt-format +msgid "Error retrieving metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:248 +#, qt-format +msgid "Error parsing metadata for energy script: %1" +msgstr "" + +#: qtplugins/forcefield/scriptenergy.cpp:256 +#, qt-format +msgid "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" +msgstr "" + #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" @@ -2885,7 +2988,7 @@ msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:561 +#: qtplugins/insertdna/insertdna.cpp:168:600 msgid "Thymine" msgstr "" @@ -2893,7 +2996,7 @@ msgstr "" #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 -#: qtplugins/lineformatinput/lineformatinput.cpp:123:982 +#: qtplugins/lineformatinput/lineformatinput.cpp:123:1021 msgid "Insert Molecule…" msgstr "" @@ -2958,7 +3061,7 @@ msgstr "" #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1261 +#: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" msgstr "" @@ -3139,7 +3242,7 @@ msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) -#: qtplugins/meshes/meshes.cpp:170:1519 +#: qtplugins/meshes/meshes.cpp:170:1558 msgid "Opacity:" msgstr "" @@ -3158,7 +3261,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:243 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3170,7 +3273,7 @@ msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::MolecularPropertiesDialog) -#: qtplugins/molecularproperties/molecularproperties.h:31:1042 +#: qtplugins/molecularproperties/molecularproperties.h:31:1081 msgid "Molecular Properties" msgstr "" @@ -3193,35 +3296,35 @@ msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1072 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 msgid "Molecule Name:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1048 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1087 msgid "Molecular Mass (g/mol):" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:221 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1054 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:233:1093 msgid "Chemical Formula:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:63 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:223 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1060 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:236:1099 msgid "Number of Atoms:" msgstr "" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_8) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:225 -#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1066 +#: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:238:1105 msgid "Number of Bonds:" msgstr "" @@ -3284,15 +3387,6 @@ msgstr "" msgid "Chalcogen" msgstr "" -#: qtplugins/openbabel/obforcefielddialog.cpp:319 -#, qt-format -msgid "Autodetect (%1)" -msgstr "" - -#: qtplugins/openbabel/openbabel.cpp:45 qtplugins/openbabel/openbabel.cpp:523 -msgid "Optimize Geometry" -msgstr "" - #: qtplugins/openbabel/openbabel.cpp:52 msgid "Configure Force Field…" msgstr "" @@ -3336,42 +3430,42 @@ msgstr "" msgid "Error parsing openbabel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:361 qtplugins/openbabel/openbabel.cpp:396 +#: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:387 +#: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:405 +#: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:430 +#: qtplugins/openbabel/openbabel.cpp:432 msgid "Optimizing Geometry (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:431 +#: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:450 +#: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:456 +#: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:470 qtplugins/openbabel/openbabel.cpp:478 +#: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format msgid "" "Step %1 of %2\n" @@ -3379,102 +3473,102 @@ msgid "" "dE: %4" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:492 +#: qtplugins/openbabel/openbabel.cpp:494 msgid "Updating molecule…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:500 qtplugins/openbabel/openbabel.cpp:581 -#: qtplugins/openbabel/openbabel.cpp:763 +#: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 +#: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:513 qtplugins/openbabel/openbabel.cpp:593 +#: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:532 +#: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:538 +#: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:544 +#: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:545 +#: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:552 +#: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:563 +#: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:573 +#: qtplugins/openbabel/openbabel.cpp:575 msgid "Updating molecule from Open Babel…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:625 qtplugins/openbabel/openbabel.cpp:667 +#: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:630 qtplugins/openbabel/openbabel.cpp:680 +#: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 msgid "Adding Hydrogens (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:631 +#: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:639 qtplugins/openbabel/openbabel.cpp:689 +#: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:652 qtplugins/openbabel/openbabel.cpp:702 -#: qtplugins/openbabel/openbabel.cpp:744 +#: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 +#: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 msgid "Add hydrogens for pH" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:674 +#: qtplugins/openbabel/openbabel.cpp:676 msgid "pH:" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:681 qtplugins/openbabel/openbabel.cpp:723 +#: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:717 +#: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:722 +#: qtplugins/openbabel/openbabel.cpp:724 msgid "Removing Hydrogens (Open Babel)" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:731 +#: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." msgstr "" -#: qtplugins/openbabel/openbabel.cpp:754 +#: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" msgstr "" -#: qtplugins/openbabel/openbabel.cpp:817 +#: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." @@ -3524,7 +3618,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) -#: qtplugins/openmminput/openmminputdialog.cpp:497:1162 +#: qtplugins/openmminput/openmminputdialog.cpp:497:1201 msgid "input.prmtop" msgstr "" @@ -3554,7 +3648,7 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 -#: qtplugins/openmminput/openmminputdialog.cpp:1069:1279 rc.cpp:1294 +#: qtplugins/openmminput/openmminputdialog.cpp:1069:1318 rc.cpp:1333 msgid "True" msgstr "" @@ -3597,7 +3691,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1636 +#: qtplugins/playertool/playertool.cpp:113:1675 msgid "Frame:" msgstr "" @@ -3629,7 +3723,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:854 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 msgid "GIF (*.gif)" msgstr "" @@ -3645,18 +3739,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "" -#: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:882 -#: qtplugins/surfaces/surfaces.cpp:926 qtplugins/surfaces/surfaces.cpp:938 -#: qtplugins/yaehmop/yaehmop.cpp:534 -msgid "Avogadro" -msgstr "" - -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:927 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4068,14 +4155,18 @@ msgstr "" msgid "Generate input for quantum codes." msgstr "" -#: qtplugins/resetview/resetview.cpp:37 +#: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" -#: qtplugins/resetview/resetview.cpp:38 +#: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" +#: qtplugins/resetview/resetview.cpp:52 +msgid "Align view to axes." +msgstr "" + #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" @@ -4198,7 +4289,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1675 +#: qtplugins/select/select.h:30:1714 msgid "Select" msgstr "" @@ -4230,97 +4321,101 @@ msgstr "" msgid "New Layer" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:49 +#: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:67:1660 +#: qtplugins/spacegroup/spacegroup.cpp:68:1699 msgid "Symmetrize" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:72 +#: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:77 -#: qtplugins/spacegroup/spacegroup.cpp:294 +#: qtplugins/spacegroup/spacegroup.cpp:78 +#: qtplugins/spacegroup/spacegroup.cpp:315 msgid "Reduce to Asymmetric Unit" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:83 +#: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:104 +#: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:178 +#: qtplugins/spacegroup/spacegroup.cpp:112 +msgid "Fill symmetric atoms based on the crystal space group." +msgstr "" + +#: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:179 +#: qtplugins/spacegroup/spacegroup.cpp:200 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:194 +#: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:195 -#: qtplugins/spacegroup/spacegroup.cpp:220 -#: qtplugins/spacegroup/spacegroup.cpp:245 +#: qtplugins/spacegroup/spacegroup.cpp:216 +#: qtplugins/spacegroup/spacegroup.cpp:241 +#: qtplugins/spacegroup/spacegroup.cpp:266 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:208 +#: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:233 +#: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:257 +#: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:315 qtplugins/yaehmop/yaehmop.cpp:209 +#: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Avogadro2" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:316 +#: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hall" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:332 +#: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hermann-Mauguin" msgstr "" -#: qtplugins/spacegroup/spacegroup.cpp:345 +#: qtplugins/spacegroup/spacegroup.cpp:366 msgid "Select Space Group" msgstr "" @@ -4328,7 +4423,7 @@ msgstr "" msgid "SpaceGroup" msgstr "" -#: qtplugins/spacegroup/spacegroup.h:65 +#: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" @@ -4436,28 +4531,28 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:567 +#: qtplugins/surfaces/surfaces.cpp:568 msgid "Calculating electron density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:576 +#: qtplugins/surfaces/surfaces.cpp:577 msgid "Calculating spin density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:585 +#: qtplugins/surfaces/surfaces.cpp:586 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:831 qtplugins/surfaces/surfaces.cpp:859 +#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:833 +#: qtplugins/surfaces/surfaces.cpp:834 msgid "Export Movie" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:835 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4495,7 +4590,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1645 +#: qtplugins/symmetry/symmetry.h:34:1684 msgid "Symmetry" msgstr "" @@ -5317,6 +5412,85 @@ msgstr "" msgid "Bond Order:" msgstr "" +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) +msgid "Geometry Optimization Parameters" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) +msgid "Convergence Criteria" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label_2) +msgid "Energy convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 +#. i18n: ectx: property (text), widget (QLabel, label_5) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 +#. i18n: ectx: property (text), widget (QLabel, label_5) +msgid "Step limit:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 +#. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 +#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) +msgid " units" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 +#. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 +#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) +msgid "10^" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 +#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 +#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) +msgid " steps" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QLabel, label_4) +msgid "Gradient convergence:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 +#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) +msgid "Optimization Method" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 +#. i18n: ectx: property (text), widget (QLabel, label) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Force field:" +msgstr "" + +#. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 +#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) +msgid "Autodetect" +msgstr "" + #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" @@ -6111,21 +6285,6 @@ msgstr "" msgid "TODO" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) -msgid "Geometry Optimization Parameters" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) -msgid "Optimization Method" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Force field:" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" @@ -6156,11 +6315,6 @@ msgstr "" msgid "Newton's Method" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 -#. i18n: ectx: property (text), widget (QCheckBox, useRecommended) -msgid "Autodetect" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" @@ -6188,38 +6342,11 @@ msgstr "" msgid "Å" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 -#. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 -#. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) -msgid " steps" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 -#. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) -msgid "Convergence Criteria" -msgstr "" - #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 -#. i18n: ectx: property (text), widget (QLabel, label_5) -msgid "Step limit:" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 -#. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) -msgid " units" -msgstr "" - -#. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 -#. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) -msgid "10^" -msgstr "" - #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" diff --git a/i18n/tr.po b/i18n/tr.po index 2d4a59f4a9..cf36946d67 100644 --- a/i18n/tr.po +++ b/i18n/tr.po @@ -13,7 +13,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-15 02:02+0000\n" +"POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-05-20 18:51+0000\n" "Last-Translator: Hıncal Gökhan BAKIR \n" "Language-Team: Turkish \n" "Language-Team: Uyghur \n" "Language-Team: Ukrainian \n" "Language-Team: Vietnamese \n" "Language-Team: Chinese (Simplified) \n" "Language-Team: Chinese (Traditional) Date: Tue, 24 Oct 2023 08:07:05 +0000 Subject: [PATCH 044/186] Translated using Weblate (Spanish) Currently translated at 99.3% (1461 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 40 +++++++++++++++------------------------- 1 file changed, 15 insertions(+), 25 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index 2f7f2979f4..3cd60f003d 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -14,8 +14,8 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" -"PO-Revision-Date: 2023-10-16 12:00+0000\n" -"Last-Translator: gallegonovato \n" +"PO-Revision-Date: 2023-10-24 08:17+0000\n" +"Last-Translator: Alejandro Díaz-Moscoso \n" "Language-Team: Spanish \n" "Language: es\n" @@ -23,7 +23,7 @@ msgstr "" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" -"X-Generator: Weblate 5.1-dev\n" +"X-Generator: Weblate 5.1.1-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:70 @@ -1026,7 +1026,7 @@ msgstr "Seleccionar ejecutable:" msgid "" "The file name contains invalid characters. Please choose another file name." msgstr "" -"El nombre del archivo contiene caracteres no válidos. Por favor, elije otro " +"El nombre del archivo contiene caracteres no válidos. Por favor, elegir otro " "nombre para el archivo." #: qtgui/fileformatdialog.cpp:60 @@ -1585,10 +1585,10 @@ msgid "" msgstr "" "Alinear Moléculas \n" "\n" -"Izquierdo del ratón: \t Seleccione hasta dos átomos. \n" +"Botón Izquierdo del Ratón: \t Seleccionar hasta dos átomos. \n" "\t El primer átomo se centra en el origen. \n" "\t El segundo átomo está alineado con el eje seleccionado. \n" -"Derecho del ratón: \t Cambiar la alineación. \n" +"Botón Derecho del Ratón: \t Cambiar la alineación. \n" "Doble clic: \t Centrar el átomo en el origen." #: qtplugins/aligntool/aligntool.cpp:75 @@ -1597,19 +1597,19 @@ msgstr "Eje:" #: qtplugins/aligntool/aligntool.cpp:152 msgid "Align at Origin" -msgstr "Alinear desde el comienzo" +msgstr "Alinear en el Origen" #: qtplugins/aligntool/aligntool.cpp:188 msgid "Align to Axis" -msgstr "Alinear con el eje" +msgstr "Alinear con el Eje" #: qtplugins/aligntool/aligntool.cpp:304 msgid "Center the atom at the origin." -msgstr "Centra el átomo en el origen." +msgstr "Centrar el átomo en el origen." #: qtplugins/aligntool/aligntool.cpp:307 msgid "Rotate the molecule to align the atom to the specified axis." -msgstr "Rota la molécula para alinear el átomo con el eje especificado." +msgstr "Rotar la molécula para alinear el átomo con el eje especificado." #: qtplugins/aligntool/aligntool.h:30 msgid "Align tool" @@ -2062,10 +2062,8 @@ msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:77 -#, fuzzy -#| msgid "Perceive Bond Orders" msgid "Perceive bond orders." -msgstr "Determinar Órdenes de Enlace" +msgstr "Determinar órdenes de enlace." #: qtplugins/bonding/bonding.h:32 msgid "Bonding" @@ -2706,16 +2704,12 @@ msgid "Import Crystal from Clipboard" msgstr "Importar Cristal desde el Portapapeles" #: qtplugins/crystal/crystal.cpp:175 -#, fuzzy -#| msgid "&Wrap Atoms to Unit Cell" msgid "Wrap atoms into the unit cell." -msgstr "&Asociar Átomos a Celda Unidad" +msgstr "Asociar átomos a la celda unidad." #: qtplugins/crystal/crystal.cpp:177 -#, fuzzy -#| msgid "Rotate to Standard Orientation" msgid "Rotate the unit cell to the standard orientation." -msgstr "Rotar a la Orientación Estándar" +msgstr "Rotar la celda unidad a la orientación estándar." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" @@ -2923,16 +2917,12 @@ msgid "Configure…" msgstr "Configurar Enlaces…" #: qtplugins/forcefield/forcefield.cpp:103 -#, fuzzy -#| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" -msgstr "Importar átomos seleccionados" +msgstr "Fijar los Átomos Seleccionados" #: qtplugins/forcefield/forcefield.cpp:110 -#, fuzzy -#| msgid "Bond Selected Atoms" msgid "Unfreeze Selected Atoms" -msgstr "Enlazar Átomos Seleccionadaos" +msgstr "Liberar los Átomos Seleccionadaos" #: qtplugins/forcefield/forcefield.cpp:126 #, fuzzy From a4989691328f0eb85532f524964b5b36333e41c9 Mon Sep 17 00:00:00 2001 From: gallegonovato Date: Tue, 24 Oct 2023 08:17:13 +0000 Subject: [PATCH 045/186] Translated using Weblate (Spanish) Currently translated at 99.3% (1461 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 31 ++++++++++--------------------- 1 file changed, 10 insertions(+), 21 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index 3cd60f003d..0238809c44 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -15,7 +15,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-10-24 08:17+0000\n" -"Last-Translator: Alejandro Díaz-Moscoso \n" +"Last-Translator: gallegonovato \n" "Language-Team: Spanish \n" "Language: es\n" @@ -2055,11 +2055,11 @@ msgstr "Enlace" #: qtplugins/bonding/bonding.cpp:74 msgid "Remove bonds from all or selected atoms." -msgstr "" +msgstr "Eliminar enlaces de todos los átomos o de los seleccionados." #: qtplugins/bonding/bonding.cpp:76 msgid "Create bonds between all or selected atoms." -msgstr "" +msgstr "Crear enlaces entre todos los átomos o los seleccionados." #: qtplugins/bonding/bonding.cpp:77 msgid "Perceive bond orders." @@ -2905,16 +2905,12 @@ msgstr "" "molécula." #: qtplugins/forcefield/forcefield.cpp:75 -#, fuzzy -#| msgid "Optimization" msgid "Optimize" -msgstr "Optimización" +msgstr "Optimizar" #: qtplugins/forcefield/forcefield.cpp:91 -#, fuzzy -#| msgid "Configure Bonding…" msgid "Configure…" -msgstr "Configurar Enlaces…" +msgstr "Configurar…" #: qtplugins/forcefield/forcefield.cpp:103 msgid "Freeze Selected Atoms" @@ -2925,10 +2921,8 @@ msgid "Unfreeze Selected Atoms" msgstr "Liberar los Átomos Seleccionadaos" #: qtplugins/forcefield/forcefield.cpp:126 -#, fuzzy -#| msgid "Calculate" msgid "&Calculate" -msgstr "Calcular" +msgstr "&Calcular" #: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 @@ -2936,10 +2930,9 @@ msgid "Optimize Geometry" msgstr "Optimizar Geometría" #: qtplugins/forcefield/forcefield.cpp:328 -#, fuzzy, qt-format -#| msgid "Energy = %L1 %2" +#, qt-format msgid "%1 Energy = %L2" -msgstr "Energía = %L1 %2" +msgstr "%1 Energía = %L2" #: qtplugins/forcefield/forcefield.cpp:329 #: qtplugins/playertool/playertool.cpp:343 @@ -2950,16 +2943,12 @@ msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.h:46 -#, fuzzy -#| msgid "Forcefield Optimization" msgid "Forcefield optimization" -msgstr "Optimización de campos de fuerza" +msgstr "Optimización del campo de fuerza" #: qtplugins/forcefield/forcefield.h:50 -#, fuzzy -#| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" -msgstr "Optimización de campos de fuerza" +msgstr "Minimización del campo de fuerza, incluidos los scripts" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 From 28b4cc5e9962cd6a88e853539778655034eda7a8 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Alejandro=20D=C3=ADaz-Moscoso?= Date: Tue, 24 Oct 2023 08:17:49 +0000 Subject: [PATCH 046/186] Translated using Weblate (Spanish) Currently translated at 99.3% (1462 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index 0238809c44..8844a3ed9f 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -14,8 +14,8 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" -"PO-Revision-Date: 2023-10-24 08:17+0000\n" -"Last-Translator: gallegonovato \n" +"PO-Revision-Date: 2023-10-24 08:18+0000\n" +"Last-Translator: Alejandro Díaz-Moscoso \n" "Language-Team: Spanish \n" "Language: es\n" @@ -2948,7 +2948,7 @@ msgstr "Optimización del campo de fuerza" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" -msgstr "Minimización del campo de fuerza, incluidos los scripts" +msgstr "Minimización del campo de fuerza, incluyendo las secuencias de comandos" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 From 3aa229feef79ffd1010f79ae72958e739c19b98d Mon Sep 17 00:00:00 2001 From: gallegonovato Date: Tue, 24 Oct 2023 08:18:27 +0000 Subject: [PATCH 047/186] Translated using Weblate (Spanish) Currently translated at 99.3% (1462 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index 8844a3ed9f..20996b5855 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -15,7 +15,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-10-24 08:18+0000\n" -"Last-Translator: Alejandro Díaz-Moscoso \n" +"Last-Translator: gallegonovato \n" "Language-Team: Spanish \n" "Language: es\n" @@ -2957,10 +2957,8 @@ msgid "Autodetect (%1)" msgstr "Autodetectar (%1)" #: qtplugins/forcefield/obmmenergy.cpp:77 -#, fuzzy -#| msgid "Force Field" msgid "Universal Force Field" -msgstr "Campo de fuerza" +msgstr "Campo de fuerza universal" #: qtplugins/forcefield/obmmenergy.cpp:82 msgid "Generalized Amber Force Field" From c130d0e42a7baee0809e8bca8d649648ecece2d3 Mon Sep 17 00:00:00 2001 From: gallegonovato Date: Tue, 24 Oct 2023 08:18:52 +0000 Subject: [PATCH 048/186] Translated using Weblate (Spanish) Currently translated at 99.4% (1463 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index 20996b5855..d33e1d7bec 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -14,7 +14,7 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" -"PO-Revision-Date: 2023-10-24 08:18+0000\n" +"PO-Revision-Date: 2023-10-24 08:19+0000\n" "Last-Translator: gallegonovato \n" "Language-Team: Spanish \n" @@ -2962,7 +2962,7 @@ msgstr "Campo de fuerza universal" #: qtplugins/forcefield/obmmenergy.cpp:82 msgid "Generalized Amber Force Field" -msgstr "" +msgstr "Campo de fuerza generalizado del ámbar" #: qtplugins/forcefield/obmmenergy.cpp:96 msgid "Merck Molecular Force Field 94" From ff25d469f55fbe5cc0594ce0d8599f86287ad4d3 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Alejandro=20D=C3=ADaz-Moscoso?= Date: Tue, 24 Oct 2023 08:18:36 +0000 Subject: [PATCH 049/186] Translated using Weblate (Spanish) Currently translated at 99.4% (1463 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index d33e1d7bec..7d339aa290 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -15,7 +15,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-10-24 08:19+0000\n" -"Last-Translator: gallegonovato \n" +"Last-Translator: Alejandro Díaz-Moscoso \n" "Language-Team: Spanish \n" "Language: es\n" @@ -2958,7 +2958,7 @@ msgstr "Autodetectar (%1)" #: qtplugins/forcefield/obmmenergy.cpp:77 msgid "Universal Force Field" -msgstr "Campo de fuerza universal" +msgstr "Campo de Fuerza Universal" #: qtplugins/forcefield/obmmenergy.cpp:82 msgid "Generalized Amber Force Field" From 72c67d2a9cf33ce54e22c224cba5faa0cc74780d Mon Sep 17 00:00:00 2001 From: gallegonovato Date: Tue, 24 Oct 2023 08:19:29 +0000 Subject: [PATCH 050/186] Translated using Weblate (Spanish) Currently translated at 99.5% (1464 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index 7d339aa290..dfe428607f 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -15,7 +15,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-10-24 08:19+0000\n" -"Last-Translator: Alejandro Díaz-Moscoso \n" +"Last-Translator: gallegonovato \n" "Language-Team: Spanish \n" "Language: es\n" @@ -2966,7 +2966,7 @@ msgstr "Campo de fuerza generalizado del ámbar" #: qtplugins/forcefield/obmmenergy.cpp:96 msgid "Merck Molecular Force Field 94" -msgstr "" +msgstr "Campo de fuerza molecular Merck 94" #: qtplugins/forcefield/scriptenergy.cpp:238 #, qt-format From 214a456d82c5011d1473694b4f8eb990d561aac4 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Alejandro=20D=C3=ADaz-Moscoso?= Date: Tue, 24 Oct 2023 08:19:06 +0000 Subject: [PATCH 051/186] Translated using Weblate (Spanish) Currently translated at 99.5% (1464 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index dfe428607f..b5a54938d6 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -15,7 +15,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-10-24 08:19+0000\n" -"Last-Translator: gallegonovato \n" +"Last-Translator: Alejandro Díaz-Moscoso \n" "Language-Team: Spanish \n" "Language: es\n" @@ -2962,7 +2962,7 @@ msgstr "Campo de Fuerza Universal" #: qtplugins/forcefield/obmmenergy.cpp:82 msgid "Generalized Amber Force Field" -msgstr "Campo de fuerza generalizado del ámbar" +msgstr "Campo de Fuerza Generalizado de Amber" #: qtplugins/forcefield/obmmenergy.cpp:96 msgid "Merck Molecular Force Field 94" From 5a8cfd7b6310faeff76f8b7af57a65b046e8ae75 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Alejandro=20D=C3=ADaz-Moscoso?= Date: Tue, 24 Oct 2023 08:19:48 +0000 Subject: [PATCH 052/186] Translated using Weblate (Spanish) Currently translated at 99.5% (1465 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index b5a54938d6..7190f4d730 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -14,7 +14,7 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" -"PO-Revision-Date: 2023-10-24 08:19+0000\n" +"PO-Revision-Date: 2023-10-24 08:20+0000\n" "Last-Translator: Alejandro Díaz-Moscoso \n" "Language-Team: Spanish \n" @@ -2966,7 +2966,7 @@ msgstr "Campo de Fuerza Generalizado de Amber" #: qtplugins/forcefield/obmmenergy.cpp:96 msgid "Merck Molecular Force Field 94" -msgstr "Campo de fuerza molecular Merck 94" +msgstr "Campo de Fuerza Molecular 94 de Merck" #: qtplugins/forcefield/scriptenergy.cpp:238 #, qt-format From 918ce0764fd822fe9119e2a906e20742ec999f7e Mon Sep 17 00:00:00 2001 From: gallegonovato Date: Tue, 24 Oct 2023 08:19:58 +0000 Subject: [PATCH 053/186] Translated using Weblate (Spanish) Currently translated at 99.5% (1465 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index 7190f4d730..e7312acc45 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -15,7 +15,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-10-24 08:20+0000\n" -"Last-Translator: Alejandro Díaz-Moscoso \n" +"Last-Translator: gallegonovato \n" "Language-Team: Spanish \n" "Language: es\n" @@ -2971,7 +2971,7 @@ msgstr "Campo de Fuerza Molecular 94 de Merck" #: qtplugins/forcefield/scriptenergy.cpp:238 #, qt-format msgid "Error retrieving metadata for energy script: %1" -msgstr "" +msgstr "Error al recuperar los metadatos para el script de energía: %1" #: qtplugins/forcefield/scriptenergy.cpp:248 #, qt-format From dcfd4e8cd54270f6e5bcf674490b100fe7e25713 Mon Sep 17 00:00:00 2001 From: gallegonovato Date: Tue, 24 Oct 2023 08:20:44 +0000 Subject: [PATCH 054/186] Translated using Weblate (Spanish) Currently translated at 99.6% (1466 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index e7312acc45..e74a7ddf63 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -14,7 +14,7 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" -"PO-Revision-Date: 2023-10-24 08:20+0000\n" +"PO-Revision-Date: 2023-10-24 08:22+0000\n" "Last-Translator: gallegonovato \n" "Language-Team: Spanish \n" @@ -2976,7 +2976,7 @@ msgstr "Error al recuperar los metadatos para el script de energía: %1" #: qtplugins/forcefield/scriptenergy.cpp:248 #, qt-format msgid "Error parsing metadata for energy script: %1" -msgstr "" +msgstr "Error al analizar los metadatos del script de energía: %1" #: qtplugins/forcefield/scriptenergy.cpp:256 #, qt-format From f7d3d2cce94b80f2a45a422360a98fa66560fd99 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Alejandro=20D=C3=ADaz-Moscoso?= Date: Tue, 24 Oct 2023 08:20:27 +0000 Subject: [PATCH 055/186] Translated using Weblate (Spanish) Currently translated at 99.6% (1466 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index e74a7ddf63..808a672da0 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -15,7 +15,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-10-24 08:22+0000\n" -"Last-Translator: gallegonovato \n" +"Last-Translator: Alejandro Díaz-Moscoso \n" "Language-Team: Spanish \n" "Language: es\n" @@ -2971,7 +2971,8 @@ msgstr "Campo de Fuerza Molecular 94 de Merck" #: qtplugins/forcefield/scriptenergy.cpp:238 #, qt-format msgid "Error retrieving metadata for energy script: %1" -msgstr "Error al recuperar los metadatos para el script de energía: %1" +msgstr "" +"Error al recuperar metadatos para la secuencia de comandos de energía: %1" #: qtplugins/forcefield/scriptenergy.cpp:248 #, qt-format From 2cf8a2945f94c2caf73c1d2f64157feec9930d7e Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Alejandro=20D=C3=ADaz-Moscoso?= Date: Tue, 24 Oct 2023 08:22:41 +0000 Subject: [PATCH 056/186] Translated using Weblate (Spanish) Currently translated at 99.7% (1467 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index 808a672da0..94c3022747 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -14,7 +14,7 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" -"PO-Revision-Date: 2023-10-24 08:22+0000\n" +"PO-Revision-Date: 2023-10-24 08:23+0000\n" "Last-Translator: Alejandro Díaz-Moscoso \n" "Language-Team: Spanish \n" @@ -2977,7 +2977,8 @@ msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:248 #, qt-format msgid "Error parsing metadata for energy script: %1" -msgstr "Error al analizar los metadatos del script de energía: %1" +msgstr "" +"Error al analizar metadatos para la secuencia de comandos de energía: %1" #: qtplugins/forcefield/scriptenergy.cpp:256 #, qt-format From fb3214a02701e832c28a267bceacc49c8fc8fea8 Mon Sep 17 00:00:00 2001 From: gallegonovato Date: Tue, 24 Oct 2023 08:23:31 +0000 Subject: [PATCH 057/186] Translated using Weblate (Spanish) Currently translated at 99.7% (1467 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/i18n/es.po b/i18n/es.po index 94c3022747..dda2d9bdc3 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -15,7 +15,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-10-24 08:23+0000\n" -"Last-Translator: Alejandro Díaz-Moscoso \n" +"Last-Translator: gallegonovato \n" "Language-Team: Spanish \n" "Language: es\n" @@ -2986,6 +2986,8 @@ msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" +"Error al analizar los metadatos del script de energía: %1\n" +"El resultado no es un objeto JSON.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" From 5ddc5cb2477fcd26235cf393d494173ecb9686c6 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Alejandro=20D=C3=ADaz-Moscoso?= Date: Tue, 24 Oct 2023 08:25:41 +0000 Subject: [PATCH 058/186] Translated using Weblate (Spanish) Currently translated at 99.7% (1468 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 11 +++++------ 1 file changed, 5 insertions(+), 6 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index dda2d9bdc3..b9fd6c3f03 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -14,8 +14,8 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" -"PO-Revision-Date: 2023-10-24 08:23+0000\n" -"Last-Translator: gallegonovato \n" +"PO-Revision-Date: 2023-10-24 08:26+0000\n" +"Last-Translator: Alejandro Díaz-Moscoso \n" "Language-Team: Spanish \n" "Language: es\n" @@ -2972,13 +2972,12 @@ msgstr "Campo de Fuerza Molecular 94 de Merck" #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" -"Error al recuperar metadatos para la secuencia de comandos de energía: %1" +"Error recuperando metadatos para la secuencia de comandos de energía: %1" #: qtplugins/forcefield/scriptenergy.cpp:248 #, qt-format msgid "Error parsing metadata for energy script: %1" -msgstr "" -"Error al analizar metadatos para la secuencia de comandos de energía: %1" +msgstr "Error analizando metadatos para la secuencia de comandos de energía: %1" #: qtplugins/forcefield/scriptenergy.cpp:256 #, qt-format @@ -2986,7 +2985,7 @@ msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" -"Error al analizar los metadatos del script de energía: %1\n" +"Error analizando metadatos para la secuencia de comandos de energía: %1\n" "El resultado no es un objeto JSON.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 From e50c41cd3309ee503b0ac25ac8d67e5b27acede1 Mon Sep 17 00:00:00 2001 From: gallegonovato Date: Tue, 24 Oct 2023 08:26:31 +0000 Subject: [PATCH 059/186] Translated using Weblate (Spanish) Currently translated at 99.7% (1468 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index b9fd6c3f03..4c35d5b220 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -15,7 +15,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-10-24 08:26+0000\n" -"Last-Translator: Alejandro Díaz-Moscoso \n" +"Last-Translator: gallegonovato \n" "Language-Team: Spanish \n" "Language: es\n" @@ -4361,10 +4361,8 @@ msgid "Align View to Axes" msgstr "Alinear la Vista con los Ejes" #: qtplugins/resetview/resetview.cpp:52 -#, fuzzy -#| msgid "Align View to Axes" msgid "Align view to axes." -msgstr "Alinear la Vista con los Ejes" +msgstr "Alinear la visualización con los ejes." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" From e9caf68f8a7b5e775f2b231ae71c6e096e5945e8 Mon Sep 17 00:00:00 2001 From: gallegonovato Date: Tue, 24 Oct 2023 08:27:34 +0000 Subject: [PATCH 060/186] Translated using Weblate (Spanish) Currently translated at 99.8% (1469 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/i18n/es.po b/i18n/es.po index 4c35d5b220..b0400bf094 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -14,7 +14,7 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" -"PO-Revision-Date: 2023-10-24 08:26+0000\n" +"PO-Revision-Date: 2023-10-24 08:28+0000\n" "Last-Translator: gallegonovato \n" "Language-Team: Spanish \n" @@ -4558,6 +4558,7 @@ msgstr "Grupo Espacial" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" +"Rellena los átomos simétricos en función del grupo espacial del cristalino." #: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" From 4b34b55d3da54053e1c9ca2a4fcd3e7d8ea2483c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Alejandro=20D=C3=ADaz-Moscoso?= Date: Tue, 24 Oct 2023 08:26:48 +0000 Subject: [PATCH 061/186] Translated using Weblate (Spanish) Currently translated at 99.8% (1469 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index b0400bf094..4eed8976c6 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -15,7 +15,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-10-24 08:28+0000\n" -"Last-Translator: gallegonovato \n" +"Last-Translator: Alejandro Díaz-Moscoso \n" "Language-Team: Spanish \n" "Language: es\n" @@ -4362,7 +4362,7 @@ msgstr "Alinear la Vista con los Ejes" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." -msgstr "Alinear la visualización con los ejes." +msgstr "Alinear la vista con los ejes." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" From b5af10c89d1ef547ef7ae8952149d2f7b1040583 Mon Sep 17 00:00:00 2001 From: gallegonovato Date: Tue, 24 Oct 2023 08:28:35 +0000 Subject: [PATCH 062/186] Translated using Weblate (Spanish) Currently translated at 99.9% (1470 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 8 +++----- 1 file changed, 3 insertions(+), 5 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index 4eed8976c6..541ec873a7 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -14,8 +14,8 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" -"PO-Revision-Date: 2023-10-24 08:28+0000\n" -"Last-Translator: Alejandro Díaz-Moscoso \n" +"PO-Revision-Date: 2023-10-24 08:29+0000\n" +"Last-Translator: gallegonovato \n" "Language-Team: Spanish \n" "Language: es\n" @@ -5686,10 +5686,8 @@ msgstr "Criterios de Convergencia" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) -#, fuzzy -#| msgid "\"Energy\" convergence:" msgid "Energy convergence:" -msgstr "Convergencia de «Energía»:" +msgstr "Convergencia de la energía:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) From 2c7e1065c89b0c741c354a1b0d888363dd11ec1b Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Alejandro=20D=C3=ADaz-Moscoso?= Date: Tue, 24 Oct 2023 08:28:14 +0000 Subject: [PATCH 063/186] Translated using Weblate (Spanish) Currently translated at 99.9% (1470 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index 541ec873a7..0f237eb4b2 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -15,7 +15,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-10-24 08:29+0000\n" -"Last-Translator: gallegonovato \n" +"Last-Translator: Alejandro Díaz-Moscoso \n" "Language-Team: Spanish \n" "Language: es\n" @@ -4557,8 +4557,7 @@ msgstr "Grupo Espacial" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." -msgstr "" -"Rellena los átomos simétricos en función del grupo espacial del cristalino." +msgstr "Rellenar átomos simétricos en función del grupo espacial del cristal." #: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" From dc4696e67ef8519569110ad7b92d1bf2c39709ef Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Alejandro=20D=C3=ADaz-Moscoso?= Date: Tue, 24 Oct 2023 08:31:49 +0000 Subject: [PATCH 064/186] Translated using Weblate (Spanish) Currently translated at 100.0% (1471 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index 0f237eb4b2..e918486c21 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -14,7 +14,7 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" -"PO-Revision-Date: 2023-10-24 08:29+0000\n" +"PO-Revision-Date: 2023-10-24 10:31+0000\n" "Last-Translator: Alejandro Díaz-Moscoso \n" "Language-Team: Spanish \n" @@ -2055,11 +2055,11 @@ msgstr "Enlace" #: qtplugins/bonding/bonding.cpp:74 msgid "Remove bonds from all or selected atoms." -msgstr "Eliminar enlaces de todos los átomos o de los seleccionados." +msgstr "Eliminar enlaces de todos los átomos o de los átomos seleccionados." #: qtplugins/bonding/bonding.cpp:76 msgid "Create bonds between all or selected atoms." -msgstr "Crear enlaces entre todos los átomos o los seleccionados." +msgstr "Crear enlaces entre todos los átomos o entre los átomos seleccionados." #: qtplugins/bonding/bonding.cpp:77 msgid "Perceive bond orders." From 61377971eb0aff786330c15b8e88512472f42249 Mon Sep 17 00:00:00 2001 From: gallegonovato Date: Tue, 24 Oct 2023 08:29:48 +0000 Subject: [PATCH 065/186] Translated using Weblate (Spanish) Currently translated at 100.0% (1471 of 1471 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index e918486c21..2fcfe82515 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -15,7 +15,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-23 23:03+0000\n" "PO-Revision-Date: 2023-10-24 10:31+0000\n" -"Last-Translator: Alejandro Díaz-Moscoso \n" +"Last-Translator: gallegonovato \n" "Language-Team: Spanish \n" "Language: es\n" @@ -5724,10 +5724,8 @@ msgstr " intervalos" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) -#, fuzzy -#| msgid "\"Energy\" convergence:" msgid "Gradient convergence:" -msgstr "Convergencia de «Energía»:" +msgstr "Convergencia del gradiente:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) From 1095af3806c09592c22e286d71010e45fb0d6221 Mon Sep 17 00:00:00 2001 From: Surajjalpun2002 Date: Tue, 24 Oct 2023 22:21:22 +0530 Subject: [PATCH 066/186] macro GROMACS_MAGIC used to declare a constant; consider using a constexpr constant macro DIM used to declare a constant; consider using a constexpr constant macro NM_TO_ANGSTROM used to declare a constant; consider using a constexpr constant Signed-off-by: Surajjalpun2002 --- avogadro/io/trrformat.cpp | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/avogadro/io/trrformat.cpp b/avogadro/io/trrformat.cpp index ff9cee7dad..103f38796e 100644 --- a/avogadro/io/trrformat.cpp +++ b/avogadro/io/trrformat.cpp @@ -34,9 +34,9 @@ using Core::UnitCell; #ifndef _WIN32 #endif -#define GROMACS_MAGIC 1993 -#define DIM 3 -#define NM_TO_ANGSTROM 10.0 +constexpr int GROMACS_MAGIC = 1993; +constexpr int DIM = 3; +constexpr float NM_TO_ANGSTROM = 10.0; string TRRVERSION = "GMX_trn_file"; string HEADITEMS[] = { "ir_size", "e_size", "box_size", "vir_size", "pres_size", "top_size", "sym_size", "x_size", From 603d4654256da92a6f3c6bbd57fe1db78c54fd8b Mon Sep 17 00:00:00 2001 From: David Elsing Date: Mon, 23 Oct 2023 22:34:45 +0200 Subject: [PATCH 067/186] Allow for reading imaginary vibrational frequencies in ORCA outputs. They are marked by ***imaginary mode*** after the frequency. Also, abort reading normal modes, the IR or the Raman spectrum if an invalid index was found. Signed-off-by: David Elsing --- avogadro/quantumio/orca.cpp | 35 ++++++++++++++++++++++++++++------- 1 file changed, 28 insertions(+), 7 deletions(-) diff --git a/avogadro/quantumio/orca.cpp b/avogadro/quantumio/orca.cpp index 2061ee8bb5..8349990049 100644 --- a/avogadro/quantumio/orca.cpp +++ b/avogadro/quantumio/orca.cpp @@ -301,7 +301,11 @@ void ORCAOutput::processLine(std::istream& in, GaussianSet* basis) break; list = Core::split(key, ' '); while (!key.empty()) { - if (list.size() != 3) { + // imaginary frequencies can have an additional comment: + // ***imaginary mode*** + if (list.size() != 3 && + (list.size() != 5 || list[3] != "***imaginary" || + list[4] != "mode***")) { break; } // e.g. 0: 0.00 cm**-1 @@ -331,14 +335,24 @@ void ORCAOutput::processLine(std::istream& in, GaussianSet* basis) if (key.empty()) break; list = Core::split(key, ' '); - vector modeIndex; + vector modeIndex; + bool invalid_index = false; while (!key.empty()) { // first we get a set of column numbers // e.g. 1 2 3 4 5 6 7 8 9 10 modeIndex.clear(); - for (unsigned int i = 0; i < list.size(); i++) { - modeIndex.push_back(Core::lexicalCast(list[i])); + for (const auto& index_str : list) { + auto index = Core::lexicalCast(index_str); + if (index >= m_frequencies.size()) { + invalid_index = true; + break; + } + modeIndex.push_back(index); } + // invalid column index + if (invalid_index) + break; + // now we read the displacements .. there should be 3N lines // x,y,z for each atom getline(in, key); @@ -373,7 +387,11 @@ void ORCAOutput::processLine(std::istream& in, GaussianSet* basis) } // the first entry might be 5 or 6 because of removed rotations / // translations - int index = Core::lexicalCast(list[0]); + auto index = Core::lexicalCast(list[0]); + // invalid index + if (index >= m_frequencies.size()) + break; + double intensity = Core::lexicalCast(list[3]); m_IRintensities[index] = intensity; @@ -396,8 +414,11 @@ void ORCAOutput::processLine(std::istream& in, GaussianSet* basis) } // the first entry might be 5 or 6 because of removed rotations / // translations - int index = Core::lexicalCast(list[0]); - if (m_RamanIntensities.size() == 0 && index > 0) { + auto index = Core::lexicalCast(list[0]); + // invalid index + if (index >= m_frequencies.size()) + break; + if (m_RamanIntensities.empty()) { while (m_RamanIntensities.size() < index) { m_RamanIntensities.push_back(0.0); } From 98493ffd0f6c389e6516ae688cf63ab57bbce328 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 24 Oct 2023 20:55:41 -0400 Subject: [PATCH 068/186] Fix a few UI / UX issues in the surface dialog - Should no longer add MO / EDens items multiple times - Should no longer add orbitals multiple times - Cleaned up the UI grid - Hides "frame" components unless the molecule a trajectory Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/surfaces/surfacedialog.cpp | 48 +++++++++------ avogadro/qtplugins/surfaces/surfacedialog.ui | 61 +++++++++---------- 2 files changed, 59 insertions(+), 50 deletions(-) diff --git a/avogadro/qtplugins/surfaces/surfacedialog.cpp b/avogadro/qtplugins/surfaces/surfacedialog.cpp index 560f24f0da..0e3d960ca0 100644 --- a/avogadro/qtplugins/surfaces/surfacedialog.cpp +++ b/avogadro/qtplugins/surfaces/surfacedialog.cpp @@ -19,7 +19,6 @@ SurfaceDialog::SurfaceDialog(QWidget* parent_, Qt::WindowFlags f) m_ui->orbitalCombo->setVisible(false); m_ui->spinCombo->setVisible(false); - m_ui->chargeCombo->setVisible(false); m_ui->recordButton->setVisible(false); // set the data for the default items @@ -151,28 +150,35 @@ void SurfaceDialog::setupBasis(int numElectrons, int numMOs, bool beta) return; m_ui->orbitalCombo->setVisible(true); - m_ui->orbitalCombo->setEnabled(false); + auto n = m_ui->surfaceCombo->currentIndex(); + int type = m_ui->surfaceCombo->itemData(n).toInt(); + if (type == Surfaces::Type::MolecularOrbital || + type == Surfaces::Type::FromFile) + m_ui->orbitalCombo->setEnabled(true); + else + m_ui->orbitalCombo->setEnabled(false); - m_ui->surfaceCombo->addItem(tr("Molecular Orbital"), - Surfaces::Type::MolecularOrbital); - m_ui->surfaceCombo->addItem(tr("Electron Density"), - Surfaces::Type::ElectronDensity); + if (m_ui->surfaceCombo->findData(Surfaces::Type::MolecularOrbital) == -1) + m_ui->surfaceCombo->addItem(tr("Molecular Orbital"), + Surfaces::Type::MolecularOrbital); + if (m_ui->surfaceCombo->findData(Surfaces::Type::ElectronDensity) == -1) + m_ui->surfaceCombo->addItem(tr("Electron Density"), + Surfaces::Type::ElectronDensity); if (beta) { m_ui->spinCombo->setVisible(true); m_ui->spinCombo->setEnabled(true); + if (m_ui->surfaceCombo->findData(Surfaces::Type::SpinDensity) == -1) + m_ui->surfaceCombo->addItem(tr("Spin Density"), Surfaces::Type::SpinDensity); + } else { + auto pos = m_ui->surfaceCombo->findData(Surfaces::Type::SpinDensity); + if (pos != -1) + m_ui->surfaceCombo->removeItem(pos); } - // TODO: this class doesn't know about alpha / beta spin right now - /* - if (numElectrons % 2 != 0) { - m_ui->surfaceCombo->addItem(tr("Spin Density"), - Surfaces::Type::SpinDensity); m_ui->spinCombo->setVisible(true); - m_ui->spinCombo->setEnabled(true); - } - */ // TODO: get this from the basis information QString text; + m_ui->orbitalCombo->clear(); for (int i = 1; i <= numMOs; ++i) { text = tr("MO %L1", "Molecular orbital").arg(i); if (i == numElectrons / 2) @@ -204,21 +210,25 @@ void SurfaceDialog::setupCubes(QStringList cubeNames) void SurfaceDialog::setupSteps(int stepCount) { if (stepCount < 2) { + m_ui->frameLabel->hide(); m_ui->stepValue->setEnabled(false); + m_ui->stepValue->hide(); m_ui->recordButton->setEnabled(false); - m_ui->recordButton->setVisible(false); + m_ui->recordButton->hide(); m_ui->vcrBack->setEnabled(false); - m_ui->vcrBack->setVisible(false); + m_ui->vcrBack->hide(); m_ui->vcrPlay->setEnabled(false); - m_ui->vcrPlay->setVisible(false); + m_ui->vcrPlay->hide(); m_ui->vcrForward->setEnabled(false); - m_ui->vcrForward->setVisible(false); + m_ui->vcrForward->hide(); } else { + m_ui->frameLabel->show(); m_ui->stepValue->setEnabled(true); m_ui->stepValue->setRange(1, stepCount); m_ui->stepValue->setSuffix(tr(" of %0").arg(stepCount)); + m_ui->stepValue->show(); m_ui->recordButton->setEnabled(true); - m_ui->recordButton->setVisible(true); + m_ui->recordButton->show(); /* Disable for now, this would be nice in future. m_ui->vcrBack->setEnabled(true); m_ui->vcrBack->setVisible(true); diff --git a/avogadro/qtplugins/surfaces/surfacedialog.ui b/avogadro/qtplugins/surfaces/surfacedialog.ui index 13cd6eb5e1..0b06d2410d 100644 --- a/avogadro/qtplugins/surfaces/surfacedialog.ui +++ b/avogadro/qtplugins/surfaces/surfacedialog.ui @@ -12,8 +12,8 @@ 0 0 - 610 - 337 + 443 + 354 @@ -30,7 +30,7 @@ - + @@ -122,13 +122,6 @@ - - - - false - - - @@ -314,6 +307,9 @@ + + + 4 @@ -402,16 +398,16 @@ false - 0 + 0 - 19 + 19 - 1 + 1 - 5 + 5 @@ -431,7 +427,7 @@ - + Frame: @@ -458,7 +454,8 @@ - + + .. @@ -471,7 +468,8 @@ - + + .. @@ -484,7 +482,8 @@ - + + .. @@ -505,19 +504,6 @@ - - - - Qt::Vertical - - - - 20 - 40 - - - - @@ -555,6 +541,19 @@ + + + + Qt::Vertical + + + + 20 + 40 + + + + From 7c60469104b2c37cc5648a170339767114ca1a8e Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 24 Oct 2023 21:00:28 -0400 Subject: [PATCH 069/186] Fixed formatting Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/surfaces/surfacedialog.cpp | 16 +++++++++------- 1 file changed, 9 insertions(+), 7 deletions(-) diff --git a/avogadro/qtplugins/surfaces/surfacedialog.cpp b/avogadro/qtplugins/surfaces/surfacedialog.cpp index 0e3d960ca0..bb9db140e4 100644 --- a/avogadro/qtplugins/surfaces/surfacedialog.cpp +++ b/avogadro/qtplugins/surfaces/surfacedialog.cpp @@ -11,7 +11,7 @@ namespace Avogadro::QtPlugins { SurfaceDialog::SurfaceDialog(QWidget* parent_, Qt::WindowFlags f) : QDialog(parent_, f), m_ui(new Ui::SurfaceDialog), - m_automaticResolution(true) + m_automaticResolution(true) { m_ui->setupUi(this); @@ -68,7 +68,7 @@ void SurfaceDialog::propertyComboChanged(int n) case 1: // Electrostatic Potential m_ui->colormapCombo->setEnabled(true); m_ui->modelCombo->setEnabled(true); - for (const auto &model: m_chargeModels) + for (const auto& model : m_chargeModels) m_ui->modelCombo->addItem(model.first.c_str(), model.second.c_str()); } } @@ -169,7 +169,8 @@ void SurfaceDialog::setupBasis(int numElectrons, int numMOs, bool beta) m_ui->spinCombo->setVisible(true); m_ui->spinCombo->setEnabled(true); if (m_ui->surfaceCombo->findData(Surfaces::Type::SpinDensity) == -1) - m_ui->surfaceCombo->addItem(tr("Spin Density"), Surfaces::Type::SpinDensity); + m_ui->surfaceCombo->addItem(tr("Spin Density"), + Surfaces::Type::SpinDensity); } else { auto pos = m_ui->surfaceCombo->findData(Surfaces::Type::SpinDensity); if (pos != -1) @@ -241,8 +242,8 @@ void SurfaceDialog::setupSteps(int stepCount) } void SurfaceDialog::setupModels( - const std::set> &chargeModels -) { + const std::set>& chargeModels) +{ m_chargeModels = chargeModels; } @@ -253,7 +254,8 @@ Surfaces::Type SurfaceDialog::surfaceType() Surfaces::ColorProperty SurfaceDialog::colorProperty() { - return static_cast(m_ui->propertyCombo->currentIndex()); + return static_cast( + m_ui->propertyCombo->currentIndex()); } QString SurfaceDialog::colorModel() @@ -330,4 +332,4 @@ void SurfaceDialog::enableRecord() m_ui->recordButton->setEnabled(true); } -} // End namespace Avogadro +} // namespace Avogadro::QtPlugins From a0c5053e1d585f694232230b920b98b8a8f90273 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Wed, 25 Oct 2023 13:17:55 -0400 Subject: [PATCH 070/186] Fix spurious "change layer" bug with the selection tool Fix #1206 - layer is not created by default Fix #1192 - layer is not changed, avoiding a crash Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/selectiontool/selectiontoolwidget.cpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/avogadro/qtplugins/selectiontool/selectiontoolwidget.cpp b/avogadro/qtplugins/selectiontool/selectiontoolwidget.cpp index d4edada0f4..8a41ef0c6b 100644 --- a/avogadro/qtplugins/selectiontool/selectiontoolwidget.cpp +++ b/avogadro/qtplugins/selectiontool/selectiontoolwidget.cpp @@ -33,7 +33,8 @@ void SelectionToolWidget::setDropDown(size_t current, size_t max) m_ui->changeLayerDropDown->addItem(QString::number(i + 1)); } m_ui->changeLayerDropDown->addItem(tr("New Layer")); - m_ui->changeLayerDropDown->setCurrentIndex(current); + if (current != m_ui->changeLayerDropDown->currentIndex()) + m_ui->changeLayerDropDown->setCurrentIndex(current); } void SelectionToolWidget::userClickedColor() From ab93b9469b81c41fa658846efc18fe0ebeefc415 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Wed, 25 Oct 2023 19:07:00 -0400 Subject: [PATCH 071/186] Fix #1193 for real this time Only create the widget when needed, only connect the signal as-needed Prevents a query for a layer before there's even a molecule Signed-off-by: Geoff Hutchison --- .../qtplugins/selectiontool/selectiontool.cpp | 26 +++++++++++-------- .../qtplugins/selectiontool/selectiontool.h | 2 +- .../selectiontool/selectiontoolwidget.cpp | 10 ++++--- 3 files changed, 23 insertions(+), 15 deletions(-) diff --git a/avogadro/qtplugins/selectiontool/selectiontool.cpp b/avogadro/qtplugins/selectiontool/selectiontool.cpp index fa066fa1dd..32a69db782 100644 --- a/avogadro/qtplugins/selectiontool/selectiontool.cpp +++ b/avogadro/qtplugins/selectiontool/selectiontool.cpp @@ -22,10 +22,10 @@ #include #include +#include #include #include #include -#include #include #include @@ -43,8 +43,7 @@ namespace Avogadro::QtPlugins { SelectionTool::SelectionTool(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), - m_molecule(nullptr), m_renderer(nullptr), - m_toolWidget(new SelectionToolWidget(qobject_cast(parent_))), + m_molecule(nullptr), m_renderer(nullptr), m_toolWidget(nullptr), m_drawSelectionBox(false), m_doubleClick(false), m_initSelectionBox(false), m_layerManager("Selection Tool") { @@ -57,16 +56,19 @@ SelectionTool::SelectionTool(QObject* parent_) "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment.")); - - connect(m_toolWidget, SIGNAL(colorApplied(Vector3ub)), this, - SLOT(applyColor(Vector3ub))); - connect(m_toolWidget, SIGNAL(changeLayer(int)), this, SLOT(applyLayer(int))); } SelectionTool::~SelectionTool() {} QWidget* SelectionTool::toolWidget() const { + if (m_toolWidget == nullptr) { + m_toolWidget = new SelectionToolWidget(qobject_cast(parent())); + connect(m_toolWidget, SIGNAL(colorApplied(Vector3ub)), this, + SLOT(applyColor(Vector3ub))); + connect(m_toolWidget, SIGNAL(changeLayer(int)), this, + SLOT(applyLayer(int))); + } return m_toolWidget; } @@ -132,7 +134,7 @@ QUndoCommand* SelectionTool::mouseReleaseEvent(QMouseEvent* e) } } } - if (anySelect) { + if (anySelect && m_toolWidget != nullptr) { m_toolWidget->setDropDown(m_layerManager.getLayerID(selectedIndex), m_layerManager.layerCount()); } @@ -262,7 +264,8 @@ void SelectionTool::applyLayer(int layer) layer = layerInfo.maxLayer(); // update the menu too - m_toolWidget->setDropDown(layer, m_layerManager.layerCount()); + if (m_toolWidget != nullptr) + m_toolWidget->setDropDown(layer, m_layerManager.layerCount()); changes |= Molecule::Layers | Molecule::Added; } @@ -360,7 +363,8 @@ void SelectionTool::setMolecule(QtGui::Molecule* mol) maxLayers = m_layerManager.layerCount(); } - m_toolWidget->setDropDown(currentLayer, maxLayers); + if (m_toolWidget != nullptr) + m_toolWidget->setDropDown(currentLayer, maxLayers); } -} // namespace Avogadro +} // namespace Avogadro::QtPlugins diff --git a/avogadro/qtplugins/selectiontool/selectiontool.h b/avogadro/qtplugins/selectiontool/selectiontool.h index 699d75756c..422a254773 100644 --- a/avogadro/qtplugins/selectiontool/selectiontool.h +++ b/avogadro/qtplugins/selectiontool/selectiontool.h @@ -63,7 +63,7 @@ private slots: QAction* m_activateAction; QtGui::Molecule* m_molecule; Rendering::GLRenderer* m_renderer; - SelectionToolWidget* m_toolWidget; + mutable SelectionToolWidget* m_toolWidget; bool m_drawSelectionBox; bool m_doubleClick; bool m_initSelectionBox; diff --git a/avogadro/qtplugins/selectiontool/selectiontoolwidget.cpp b/avogadro/qtplugins/selectiontool/selectiontoolwidget.cpp index 8a41ef0c6b..e1f8b1dce3 100644 --- a/avogadro/qtplugins/selectiontool/selectiontoolwidget.cpp +++ b/avogadro/qtplugins/selectiontool/selectiontoolwidget.cpp @@ -17,8 +17,6 @@ SelectionToolWidget::SelectionToolWidget(QWidget* parent) setDropDown(0, 1); connect(m_ui->applyColorButton, SIGNAL(clicked()), this, SLOT(userClickedColor())); - connect(m_ui->changeLayerDropDown, SIGNAL(currentIndexChanged(int)), this, - SIGNAL(changeLayer(int))); } SelectionToolWidget::~SelectionToolWidget() @@ -28,6 +26,8 @@ SelectionToolWidget::~SelectionToolWidget() void SelectionToolWidget::setDropDown(size_t current, size_t max) { + // disconnect the signal so we don't send it accidentally + disconnect(m_ui->changeLayerDropDown, nullptr, nullptr, nullptr); m_ui->changeLayerDropDown->clear(); for (size_t i = 0; i < max; ++i) { m_ui->changeLayerDropDown->addItem(QString::number(i + 1)); @@ -35,6 +35,10 @@ void SelectionToolWidget::setDropDown(size_t current, size_t max) m_ui->changeLayerDropDown->addItem(tr("New Layer")); if (current != m_ui->changeLayerDropDown->currentIndex()) m_ui->changeLayerDropDown->setCurrentIndex(current); + + // reconnect the signal + connect(m_ui->changeLayerDropDown, SIGNAL(currentIndexChanged(int)), this, + SIGNAL(changeLayer(int))); } void SelectionToolWidget::userClickedColor() @@ -59,4 +63,4 @@ void SelectionToolWidget::userClickedColor() } } -} // namespace Avogadro +} // namespace Avogadro::QtPlugins From 96d9f530afa4b9f13e9be27d472804a3dea7417a Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Wed, 25 Oct 2023 19:09:57 -0400 Subject: [PATCH 072/186] Add molden as a possible reader for generic `.out` files See https://discuss.avogadro.cc/t/impossible-to-read-molden-file/4924/ Signed-off-by: Geoff Hutchison --- avogadro/quantumio/genericoutput.cpp | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/avogadro/quantumio/genericoutput.cpp b/avogadro/quantumio/genericoutput.cpp index aa1cc67fae..466602ab28 100644 --- a/avogadro/quantumio/genericoutput.cpp +++ b/avogadro/quantumio/genericoutput.cpp @@ -9,6 +9,7 @@ #include #include "gamessus.h" +#include "molden.h" #include "nwchemlog.h" #include "orca.h" @@ -50,6 +51,10 @@ bool GenericOutput::read(std::istream& in, Core::Molecule& molecule) // GAMESS-US .. don't know if we can read Firefly or GAMESS-UK reader = new GAMESSUSOutput; break; + } else if (line.find("[Molden Format]") != std::string::npos) { + // molden with .out extension + reader = new MoldenFile; + break; } else if (line.find("O R C A") != std::string::npos) { // ORCA reader reader = new ORCAOutput; From e2d8d3e6efb37b127ac8bd508cf4c09160924f14 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Wed, 25 Oct 2023 20:09:08 -0400 Subject: [PATCH 073/186] Add command script path to just select atoms Signed-off-by: Geoff Hutchison --- avogadro/qtgui/interfacescript.cpp | 18 +++++++++++++++++- 1 file changed, 17 insertions(+), 1 deletion(-) diff --git a/avogadro/qtgui/interfacescript.cpp b/avogadro/qtgui/interfacescript.cpp index 96b9adb40e..b01a8c664a 100644 --- a/avogadro/qtgui/interfacescript.cpp +++ b/avogadro/qtgui/interfacescript.cpp @@ -244,15 +244,31 @@ bool InterfaceScript::processCommand(Core::Molecule* mol) // check if the script wants us to perceive bonds first if (obj["bond"].toBool()) { newMol.perceiveBondsSimple(); + newMol.perceiveBondOrders(); } - if (obj["append"].toBool()) { // just append some new bits + // just append some new bits + if (obj["append"].toBool()) { guiMol->undoMolecule()->appendMolecule(newMol, m_displayName); } else { // replace the whole molecule Molecule::MoleculeChanges changes = (Molecule::Atoms | Molecule::Bonds | Molecule::Added | Molecule::Removed); guiMol->undoMolecule()->modifyMolecule(newMol, changes, m_displayName); } + + // select some atoms + if (obj.contains("selectedAtoms") && + obj["selectedAtoms"].isArray()) { + QJsonArray selectedList = obj["selectedAtoms"].toArray(); + for (int i = 0; i < selectedList.size(); ++i) { + if (selectedList[i].isDouble()) { + Index index = static_cast(selectedList[i].toDouble()); + if (index >= 0 && index < guiMol->atomCount()) + guiMol->undoMolecule()->setAtomSelected(index, true); + } + } + guiMol->emitChanged(Molecule::Atoms); + } } return result; } From 8d9d775562c84e9fe28529a9906fd2f2a7ce9ed5 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Wed, 25 Oct 2023 20:24:45 -0400 Subject: [PATCH 074/186] Fixed formatting Signed-off-by: Geoff Hutchison --- avogadro/qtgui/interfacescript.cpp | 14 ++++++++------ 1 file changed, 8 insertions(+), 6 deletions(-) diff --git a/avogadro/qtgui/interfacescript.cpp b/avogadro/qtgui/interfacescript.cpp index b01a8c664a..e0cdecf2d7 100644 --- a/avogadro/qtgui/interfacescript.cpp +++ b/avogadro/qtgui/interfacescript.cpp @@ -30,12 +30,14 @@ InterfaceScript::InterfaceScript(const QString& scriptFilePath_, QObject* parent_) : QObject(parent_), m_interpreter(new PythonScript(scriptFilePath_, this)), m_moleculeExtension(QStringLiteral("Unknown")) -{} +{ +} InterfaceScript::InterfaceScript(QObject* parent_) : QObject(parent_), m_interpreter(new PythonScript(this)), m_moleculeExtension(QStringLiteral("Unknown")) -{} +{ +} InterfaceScript::~InterfaceScript() {} @@ -162,7 +164,8 @@ bool InterfaceScript::runCommand(const QJsonObject& options_, if (!insertMolecule(allOptions, *mol)) return false; - connect(m_interpreter, &PythonScript::finished, this, &::Avogadro::QtGui::InterfaceScript::commandFinished); + connect(m_interpreter, &PythonScript::finished, this, + &::Avogadro::QtGui::InterfaceScript::commandFinished); m_interpreter->asyncExecute(QStringList() << QStringLiteral("--run-command"), QJsonDocument(allOptions).toJson()); return true; @@ -257,8 +260,7 @@ bool InterfaceScript::processCommand(Core::Molecule* mol) } // select some atoms - if (obj.contains("selectedAtoms") && - obj["selectedAtoms"].isArray()) { + if (obj.contains("selectedAtoms") && obj["selectedAtoms"].isArray()) { QJsonArray selectedList = obj["selectedAtoms"].toArray(); for (int i = 0; i < selectedList.size(); ++i) { if (selectedList[i].isDouble()) { @@ -843,4 +845,4 @@ bool InterfaceScript::parsePattern(const QJsonValue& json, return true; } -} // namespace Avogadro +} // namespace Avogadro::QtGui From a738eff484ed510bce571ec4153af8f8b31b0031 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Thu, 26 Oct 2023 11:53:18 -0400 Subject: [PATCH 075/186] Bump version number for pending 1.98.0 release Signed-off-by: Geoff Hutchison --- CMakeLists.txt | 2 +- SECURITY.md | 1 + 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 23dfb2ef63..0cff690e2f 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -22,7 +22,7 @@ include(DetermineVersion) # Set up our version. set(AvogadroLibs_VERSION_MAJOR "1") -set(AvogadroLibs_VERSION_MINOR "97") +set(AvogadroLibs_VERSION_MINOR "98") set(AvogadroLibs_VERSION_PATCH "0") set(AvogadroLibs_VERSION "${AvogadroLibs_VERSION_MAJOR}.${AvogadroLibs_VERSION_MINOR}.${AvogadroLibs_VERSION_PATCH}") diff --git a/SECURITY.md b/SECURITY.md index 4ad1bda524..6888b56d34 100644 --- a/SECURITY.md +++ b/SECURITY.md @@ -9,6 +9,7 @@ patches for widely used long-term-support OS. | Version | Supported | | ------- | ------------------ | +| 1.98.x | :white_check_mark: | | 1.97.x | :white_check_mark: | | < 1.97 | :x: | From f1a25b15563d0326e5d45284e426eab73b24ed50 Mon Sep 17 00:00:00 2001 From: Antonio Rojas Date: Thu, 26 Oct 2023 23:22:53 +0200 Subject: [PATCH 076/186] vtk: Add missing OpenGL link target Without this, linking fails with CMakeFiles/Vtk.dir/vtkAvogadroActor.cpp.o: in function `vtkAvogadroActor::RenderOpaqueGeometry(vtkViewport*)': /usr/src/debug/avogadrolibs/avogadrolibs-1.98.0/avogadro/vtk/vtkAvogadroActor.cpp:56:(.text+0x27a): undefined reference to `glGetFloatv' /usr/bin/ld: /usr/src/debug/avogadrolibs/avogadrolibs-1.98.0/avogadro/vtk/vtkAvogadroActor.cpp:57:(.text+0x28d): undefined reference to `glGetFloatv' /usr/bin/ld: CMakeFiles/Vtk.dir/vtkAvogadroActor.cpp.o: in function `vtkAvogadroActor::RenderTranslucentPolygonalGeometry(vtkViewport*)': /usr/src/debug/avogadrolibs/avogadrolibs-1.98.0/avogadro/vtk/vtkAvogadroActor.cpp:74:(.text+0x4af): undefined reference to `glGetFloatv' /usr/bin/ld: /usr/src/debug/avogadrolibs/avogadrolibs-1.98.0/avogadro/vtk/vtkAvogadroActor.cpp:75:(.text+0x4c2): undefined reference to `glGetFloatv' collect2: error: ld returned 1 exit status Signed-off-by: Antonio Rojas --- avogadro/vtk/CMakeLists.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/avogadro/vtk/CMakeLists.txt b/avogadro/vtk/CMakeLists.txt index 8866501bc9..549626e42f 100644 --- a/avogadro/vtk/CMakeLists.txt +++ b/avogadro/vtk/CMakeLists.txt @@ -37,7 +37,7 @@ target_link_libraries(Vtk PUBLIC Avogadro::Rendering Avogadro::QtGui VTK::RenderingOpenGL2 VTK::GUISupportQt VTK::RenderingVolumeOpenGL2 VTK::RenderingFreeType VTK::InteractionStyle VTK::ChartsCore VTK::ViewsContext2D VTK::RenderingContextOpenGL2 VTK::DomainsChemistryOpenGL2 Qt::Widgets - PRIVATE GLEW::GLEW) + PRIVATE GLEW::GLEW OpenGL::GL) vtk_module_autoinit(TARGETS Vtk MODULES VTK::RenderingOpenGL2 VTK::GUISupportQt VTK::RenderingVolumeOpenGL2 From 72a7d889d67a7effd074844d1aa7737de6def814 Mon Sep 17 00:00:00 2001 From: Antonio Rojas Date: Thu, 26 Oct 2023 23:41:10 +0200 Subject: [PATCH 077/186] Fix Python module install dir This is not part of the Python standard library, so it belongs in SITEARCH, not STDARCH Signed-off-by: Antonio Rojas --- python/CMakeLists.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/python/CMakeLists.txt b/python/CMakeLists.txt index e42c4fb9b1..1d4f466537 100644 --- a/python/CMakeLists.txt +++ b/python/CMakeLists.txt @@ -17,7 +17,7 @@ set(wrapper_SRCS set(_python_module_install_dir "avogadro") # SKBUILD is set for binary wheel if (NOT SKBUILD) - set(_python_module_install_dir "${Python_STDARCH}/avogadro") + set(_python_module_install_dir "${Python_SITEARCH}/avogadro") endif() set(CMAKE_MODULE_LINKER_FLAGS "") From 49268ab5b150a58fb2ee65bb4f47ad6d8e9a4faa Mon Sep 17 00:00:00 2001 From: Atharva-Kanherkar Date: Sat, 28 Oct 2023 00:51:13 +0530 Subject: [PATCH 078/186] Migrated type defs and changed const to constexpr Signed-off-by: Atharva-Kanherkar --- avogadro/core/avogadrocore.h | 34 +++++++++++++++++++++++++++------- 1 file changed, 27 insertions(+), 7 deletions(-) diff --git a/avogadro/core/avogadrocore.h b/avogadro/core/avogadrocore.h index c8c8a4d21a..5688bf723a 100644 --- a/avogadro/core/avogadrocore.h +++ b/avogadro/core/avogadrocore.h @@ -28,26 +28,45 @@ Class(const Class&); \ Class& operator=(const Class&); - namespace Avogadro { -using Real = double; -using Index = std::size_t; +/** Typedef for a real number. */ +typedef double Real; + +/** Typedef for indices and sizes. */ +typedef size_t Index; constexpr Index MaxIndex = std::numeric_limits::max(); +/** Used to represent an invalid atomic number. */ constexpr unsigned char InvalidElement = 255; + +/** + * Minimum value for atomic numbers that represent custom, non-elemental + * particles. */ constexpr unsigned char CustomElementMin = 128; + +/** + * Maximum value for atomic numbers that represent custom, non-elemental + * particles. */ constexpr unsigned char CustomElementMax = 254; -constexpr unsigned char CustomElementCount = CustomElementMax - CustomElementMin + 1; +/** + * Count of atomic number values that are used to represent custom, + * non-elemental particles. */ +constexpr unsigned char CustomElementCount = + CustomElementMax - CustomElementMin + 1; + +/** + * @return True if @a atomicNumber denotes a custom element type. + */ namespace Core { -inline bool isCustomElement(unsigned char atomicNumber) +inline constexpr bool isCustomElement(unsigned char atomicNumber) { return atomicNumber >= CustomElementMin && atomicNumber <= CustomElementMax; } } -/** Unit conversion factors. */ +/** Unit conversion factors. @{ */ constexpr double PI_D = 3.141592653589793238462643; constexpr float PI_F = static_cast(PI_D); constexpr Real PI = static_cast(PI_D); @@ -67,7 +86,8 @@ constexpr Real BOHR_TO_ANGSTROM = static_cast(BOHR_TO_ANGSTROM_D); constexpr double ANGSTROM_TO_BOHR_D = 1.0 / BOHR_TO_ANGSTROM_D; constexpr float ANGSTROM_TO_BOHR_F = static_cast(ANGSTROM_TO_BOHR_D); constexpr Real ANGSTROM_TO_BOHR = static_cast(ANGSTROM_TO_BOHR_D); +/** @} */ } // end Avogadro namespace -#endif // AVOGADRO_CORE_H \ No newline at end of file +#endif // AVOGADRO_CORE_H From 2d5c2d1fb26278e3742ccd27d5cb1db86f6d447f Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Fri, 27 Oct 2023 23:21:24 -0400 Subject: [PATCH 079/186] Add workflow concurrency - should stop builds during quick changes If a long build (e.g. Windows) starts up, but you find a typo, the concurrency should cancel the first build. Overall, should boost throughput for builds / checks Signed-off-by: Geoff Hutchison --- .github/workflows/build_cmake.yml | 4 ++++ .github/workflows/build_m1.yml | 4 ++++ .github/workflows/build_wheels.yml | 4 ++++ .github/workflows/codacy.yml | 5 ++++- .github/workflows/codeql.yml | 4 ++++ 5 files changed, 20 insertions(+), 1 deletion(-) diff --git a/.github/workflows/build_cmake.yml b/.github/workflows/build_cmake.yml index 566f526ac1..a830e624c5 100644 --- a/.github/workflows/build_cmake.yml +++ b/.github/workflows/build_cmake.yml @@ -15,6 +15,10 @@ env: CACHE: -DCMAKE_C_COMPILER_LAUNCHER=sccache -DCMAKE_CXX_COMPILER_LAUNCHER=sccache SCCACHE_GHA_ENABLED: "true" +concurrency: + group: ${{ github.workflow }}-${{ github.ref }} + cancel-in-progress: true + jobs: build: name: ${{ matrix.config.name }} diff --git a/.github/workflows/build_m1.yml b/.github/workflows/build_m1.yml index 746e8dc2b3..e947406be6 100644 --- a/.github/workflows/build_m1.yml +++ b/.github/workflows/build_m1.yml @@ -8,6 +8,10 @@ env: MACOS_TARGET: 10.12 FEATURES: -DUSE_VTK=ON -DBUILD_GPL_PLUGINS=ON -DWITH_COORDGEN=OFF -DUSE_3DCONNEXION=ON +concurrency: + group: ${{ github.workflow }}-${{ github.ref }} + cancel-in-progress: true + jobs: build: name: ${{ matrix.config.name }} diff --git a/.github/workflows/build_wheels.yml b/.github/workflows/build_wheels.yml index 17f1d4e69e..a28f9b5314 100644 --- a/.github/workflows/build_wheels.yml +++ b/.github/workflows/build_wheels.yml @@ -2,6 +2,10 @@ name: Build Wheels on: [push, pull_request] +concurrency: + group: ${{ github.workflow }}-${{ github.ref }} + cancel-in-progress: true + env: # Don't build python 2.7, pypy, or 32-bit wheels or Mac arm64 on Py3.8 CIBW_SKIP: "cp36-* cp37-* cp311-* cp38-macosx_arm64 pp* *-musllinux_* *-manylinux_i686 *-win32" diff --git a/.github/workflows/codacy.yml b/.github/workflows/codacy.yml index 246a0b5fa6..e402502b59 100644 --- a/.github/workflows/codacy.yml +++ b/.github/workflows/codacy.yml @@ -28,11 +28,14 @@ permissions: jobs: codacy-security-scan: + name: Codacy Security Scan permissions: contents: read # for actions/checkout to fetch code security-events: write # for github/codeql-action/upload-sarif to upload SARIF results - name: Codacy Security Scan runs-on: ubuntu-latest + concurrency: + group: ${{ github.workflow }}-${{ github.ref }} + cancel-in-progress: true steps: # Checkout the repository to the GitHub Actions runner - name: Checkout code diff --git a/.github/workflows/codeql.yml b/.github/workflows/codeql.yml index 1c98947ca5..70c5aaf1d2 100644 --- a/.github/workflows/codeql.yml +++ b/.github/workflows/codeql.yml @@ -20,6 +20,10 @@ on: schedule: - cron: '42 6 * * 6' +concurrency: + group: ${{ github.workflow }}-${{ github.ref }} + cancel-in-progress: true + env: QT_VERSION: 5.15.2 FEATURES: -DBUILD_GPL_PLUGINS=ON -DWITH_COORDGEN=OFF From 7bca87bc3dff4013fc7972e778c91facc06fbdfa Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sat, 28 Oct 2023 19:40:55 -0400 Subject: [PATCH 080/186] Parsing orca output would crash when swapping orbitals Probably just masks the underlying problem, but I need more examples https://discuss.avogadro.cc/t/cant-open-a-out-file-in-1-98-0/ Signed-off-by: Geoff Hutchison --- avogadro/quantumio/orca.cpp | 39 ++++++++++++++++++++++++++++++++++++- avogadro/quantumio/orca.h | 3 +++ 2 files changed, 41 insertions(+), 1 deletion(-) diff --git a/avogadro/quantumio/orca.cpp b/avogadro/quantumio/orca.cpp index 8349990049..86db7e25b1 100644 --- a/avogadro/quantumio/orca.cpp +++ b/avogadro/quantumio/orca.cpp @@ -78,10 +78,22 @@ bool ORCAOutput::read(std::istream& in, Core::Molecule& molecule) molecule.setVibrationRamanIntensities(m_RamanIntensities); } - // Do simple bond perception. + // for now, do simple bond perception molecule.perceiveBondsSimple(); molecule.perceiveBondOrders(); + // add bonds from calculated bond orders + if (m_bondOrders.size() > 0) { + for (unsigned int i = 0; i < m_bondOrders.size(); i++) { + // m_bondOrders[i][0] is the first atom + // m_bondOrders[i][1] is the second atom + // m_bondOrders[i][2] is the bond order + if (m_bondOrders[i].size() > 2) + molecule.addBond(m_bondOrders[i][0], m_bondOrders[i][1], + static_cast(m_bondOrders[i][2])); + } + } + molecule.setBasisSet(basis); basis->setMolecule(&molecule); load(basis); @@ -148,6 +160,9 @@ void ORCAOutput::processLine(std::istream& in, GaussianSet* basis) } else if (Core::contains(key, "Number of Electrons")) { list = Core::split(key, ' '); m_electrons = Core::lexicalCast(list[5]); + } else if (Core::contains(key, "Mayer bond orders")) { + m_currentMode = BondOrders; + // starts at the next line } else if (Core::contains(key, "ORBITAL ENERGIES")) { m_currentMode = OrbitalEnergies; getline(in, key); // skip ------------ @@ -266,6 +281,20 @@ void ORCAOutput::processLine(std::istream& in, GaussianSet* basis) m_currentMode = NotParsing; break; } + case BondOrders: { + if (key.empty()) + break; + + m_bondOrders.clear(); + while (key[0] == "B") { + // @todo .. parse the bonds based on character position + // e.g. B( 0-Ru, 1-C ) : 0.4881 B( 0-Ru, 4-C ) : 0.6050 + getline(in, key); + key = Core::trimmed(key); + } + + m_currentMode = NotParsing; + } case OrbitalEnergies: { // should start at the first orbital if (!m_readBeta) @@ -579,10 +608,14 @@ void ORCAOutput::processLine(std::istream& in, GaussianSet* basis) while (idx < orcaOrbitals.size()) { if (Core::contains(orcaOrbitals.at(idx), "pz")) { for (unsigned int i = 0; i < numColumns; i++) { + if (idx + 1 >= columns[i].size()) + break; std::swap(columns[i].at(idx), columns[i].at(idx + 1)); } idx++; for (unsigned int i = 0; i < numColumns; i++) { + if (idx + 1 >= columns[i].size()) + break; std::swap(columns[i].at(idx), columns[i].at(idx + 1)); } idx++; @@ -654,10 +687,14 @@ void ORCAOutput::processLine(std::istream& in, GaussianSet* basis) while (idx < orcaOrbitals.size()) { if (Core::contains(orcaOrbitals.at(idx), "pz")) { for (unsigned int i = 0; i < numColumns; i++) { + if (idx + 1 >= columns[i].size()) + break; std::swap(columns[i].at(idx), columns[i].at(idx + 1)); } idx++; for (unsigned int i = 0; i < numColumns; i++) { + if (idx + 1 >= columns[i].size()) + break; std::swap(columns[i].at(idx), columns[i].at(idx + 1)); } idx++; diff --git a/avogadro/quantumio/orca.h b/avogadro/quantumio/orca.h index 5334d1de33..020b33db89 100644 --- a/avogadro/quantumio/orca.h +++ b/avogadro/quantumio/orca.h @@ -62,6 +62,8 @@ class AVOGADROQUANTUMIO_EXPORT ORCAOutput : public Io::FileFormat std::vector m_atomNums; std::vector m_atomPos; + std::vector> m_bondOrders; + std::vector shellFunctions; std::vector shellTypes; std::vector> m_orcaNumShells; @@ -83,6 +85,7 @@ class AVOGADROQUANTUMIO_EXPORT ORCAOutput : public Io::FileFormat Raman, Electronic, NMR, + BondOrders, NotParsing, Unrecognized }; From feafdc4620461678e3fef3efa4b782dc0021cf95 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sat, 28 Oct 2023 19:49:18 -0400 Subject: [PATCH 081/186] Make sure that filename validation occurs on save, not open Signed-off-by: Geoff Hutchison --- avogadro/io/fileformat.cpp | 4 ++-- avogadro/qtgui/fileformatdialog.cpp | 16 ++++++++-------- 2 files changed, 10 insertions(+), 10 deletions(-) diff --git a/avogadro/io/fileformat.cpp b/avogadro/io/fileformat.cpp index 95f26fa495..e993c56a17 100644 --- a/avogadro/io/fileformat.cpp +++ b/avogadro/io/fileformat.cpp @@ -63,7 +63,7 @@ bool FileFormat::open(const std::string& fileName_, Operation mode_) close(); m_fileName = fileName_; m_mode = mode_; - if (!m_fileName.empty() && validateFileName(m_fileName)) { + if (!m_fileName.empty()) { // Imbue the standard C locale. locale cLocale("C"); if (m_mode & Read) { @@ -76,7 +76,7 @@ bool FileFormat::open(const std::string& fileName_, Operation mode_) appendError("Error opening file: " + fileName_); return false; } - } else if (m_mode & Write) { + } else if (m_mode & Write && validateFileName(m_fileName)) { auto* file = new ofstream(m_fileName.c_str(), std::ofstream::binary); m_out = file; if (file->is_open()) { diff --git a/avogadro/qtgui/fileformatdialog.cpp b/avogadro/qtgui/fileformatdialog.cpp index 16adfcee54..e831ba5714 100644 --- a/avogadro/qtgui/fileformatdialog.cpp +++ b/avogadro/qtgui/fileformatdialog.cpp @@ -42,14 +42,6 @@ FileFormatDialog::FormatFilePair FileFormatDialog::fileToRead( if (fileName.isEmpty()) // user cancel return result; - if (FileFormat::validateFileName(fileName.toStdString()) == false) { - QMessageBox::warning( - parent, caption, - tr("The file name contains invalid characters. Please choose another " - "file name.")); - continue; - } - const Io::FileFormat* format = findFileFormat( parent, caption, fileName, FileFormat::File | FileFormat::Read); @@ -94,6 +86,14 @@ FileFormatDialog::FormatFilePair FileFormatDialog::fileToWrite( if (fileName.isEmpty()) // user cancel return result; + if (FileFormat::validateFileName(fileName.toStdString()) == false) { + QMessageBox::warning( + parent, caption, + tr("The file name contains invalid characters. Please choose another " + "file name.")); + continue; + } + const Io::FileFormat* format = findFileFormat( parentWidget, caption, fileName, FileFormat::File | FileFormat::Write); From de5ee4a6f8ee47a55583a61d2ab7e1824fae7796 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sat, 28 Oct 2023 19:51:29 -0400 Subject: [PATCH 082/186] Fix compile error Signed-off-by: Geoff Hutchison --- avogadro/quantumio/orca.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/avogadro/quantumio/orca.cpp b/avogadro/quantumio/orca.cpp index 86db7e25b1..bc15cecc96 100644 --- a/avogadro/quantumio/orca.cpp +++ b/avogadro/quantumio/orca.cpp @@ -90,7 +90,7 @@ bool ORCAOutput::read(std::istream& in, Core::Molecule& molecule) // m_bondOrders[i][2] is the bond order if (m_bondOrders[i].size() > 2) molecule.addBond(m_bondOrders[i][0], m_bondOrders[i][1], - static_cast(m_bondOrders[i][2])); + static_cast(m_bondOrders[i][2])); } } @@ -286,7 +286,7 @@ void ORCAOutput::processLine(std::istream& in, GaussianSet* basis) break; m_bondOrders.clear(); - while (key[0] == "B") { + while (key[0] == 'B') { // @todo .. parse the bonds based on character position // e.g. B( 0-Ru, 1-C ) : 0.4881 B( 0-Ru, 4-C ) : 0.6050 getline(in, key); From ae92e9465023d5637d1ac33863a16427d9ab652f Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sat, 28 Oct 2023 19:54:26 -0400 Subject: [PATCH 083/186] Fix compile error Signed-off-by: Geoff Hutchison --- avogadro/qtgui/fileformatdialog.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/avogadro/qtgui/fileformatdialog.cpp b/avogadro/qtgui/fileformatdialog.cpp index e831ba5714..73765967ff 100644 --- a/avogadro/qtgui/fileformatdialog.cpp +++ b/avogadro/qtgui/fileformatdialog.cpp @@ -88,7 +88,7 @@ FileFormatDialog::FormatFilePair FileFormatDialog::fileToWrite( if (FileFormat::validateFileName(fileName.toStdString()) == false) { QMessageBox::warning( - parent, caption, + parentWidget, caption, tr("The file name contains invalid characters. Please choose another " "file name.")); continue; From a2d83f6eb38d409780ad12a5fa2bd2e1b875b4a7 Mon Sep 17 00:00:00 2001 From: ghutchis Date: Sun, 29 Oct 2023 02:01:42 +0000 Subject: [PATCH 084/186] Automated translation updates Signed-off-by: GitHub --- i18n/avogadrolibs.pot | 221 ++++++++++++++++++++++-------------------- 1 file changed, 115 insertions(+), 106 deletions(-) diff --git a/i18n/avogadrolibs.pot b/i18n/avogadrolibs.pot index 0cd79a0d83..4c85805b98 100644 --- a/i18n/avogadrolibs.pot +++ b/i18n/avogadrolibs.pot @@ -6,9 +6,9 @@ #, fuzzy msgid "" msgstr "" -"Project-Id-Version: Avogadro 1.97.0\n" +"Project-Id-Version: Avogadro 1.98.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-23 23:03+0000\n" +"POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: FULL NAME \n" "Language-Team: LANGUAGE \n" @@ -27,7 +27,7 @@ msgstr "" msgid "No message specified." msgstr "" -#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:68 +#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " @@ -35,72 +35,72 @@ msgid "" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:205 -#: qtgui/interfacescript.cpp:301 +#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 +#: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." msgstr "" -#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:208 -#: qtgui/interfacescript.cpp:304 +#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 +#: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." msgstr "" -#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:324 +#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" -#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:326 +#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" msgstr "" -#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:330 +#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" -#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:363 +#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:369 +#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" -#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:375 +#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." msgstr "" -#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:379 +#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." msgstr "" -#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:390 +#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" -#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:395 +#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." msgstr "" -#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:406 +#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." msgstr "" -#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:410 +#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:454 +#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" @@ -121,7 +121,7 @@ msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" -#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:512 +#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" @@ -130,7 +130,7 @@ msgid "" "%3" msgstr "" -#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:521 +#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" @@ -487,7 +487,7 @@ msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34 :1747 +#: qtgui/elementtranslator.cpp:34 :1750 msgid "Carbon" msgstr "" @@ -569,13 +569,13 @@ msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94 :1750 +#: qtgui/elementtranslator.cpp:94 :1753 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97 :1753 +#: qtgui/elementtranslator.cpp:97 :1756 msgid "Cobalt" msgstr "" @@ -1017,18 +1017,18 @@ msgstr "" msgid "All supported formats" msgstr "" -#: qtgui/interfacescript.cpp:222 +#: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:492 +#: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:500 +#: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" @@ -1183,7 +1183,7 @@ msgstr "" msgid "Symmetry Elements" msgstr "" -#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:26 +#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" @@ -1289,7 +1289,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252 :1567 +#: qtplugins/selectiontool/selectiontool.cpp:254 :1567 msgid "Change Layer" msgstr "" @@ -1679,25 +1679,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:735 +#: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:737 +#: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:739 +#: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:741 +#: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1705,7 +1705,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:743 +#: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1713,7 +1713,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:745 +#: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1721,7 +1721,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:747 +#: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1729,7 +1729,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:749 +#: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1737,61 +1737,61 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:751 +#: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:181 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:753 :171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756 :171 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:755 :168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758 :168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:757 :162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760 :162 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:759 :165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762 :165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:186 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:761 :174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764 :174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1822,7 +1822,7 @@ msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305 :159 rc.cpp:1603 @@ -2035,7 +2035,7 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:272 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 #: qtplugins/noncovalent/noncovalent.cpp:351 :189 rc.cpp:192 rc.cpp:369 @@ -2246,12 +2246,12 @@ msgstr "" msgid "Edit Atomic Coordinates" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:261 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158 :1645 rc.cpp:1672 +#: qtplugins/label/label.cpp:158 :1645 rc.cpp:1675 msgid "Custom" msgstr "" @@ -2661,9 +2661,9 @@ msgstr "" msgid "Other…" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208 :1624 rc.cpp:1642 msgid "Automatic" @@ -2776,20 +2776,20 @@ msgstr "" msgid "&Calculate" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 msgid "Optimize Geometry" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:328 +#: qtplugins/forcefield/forcefield.cpp:329 #, qt-format msgid "%1 Energy = %L2" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 -#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 +#: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "" @@ -2820,17 +2820,17 @@ msgstr "" msgid "Merck Molecular Force Field 94" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:238 +#: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:248 +#: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:256 +#: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" @@ -3058,7 +3058,7 @@ msgstr "" #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193 :1300 msgid "None" @@ -3260,7 +3260,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3688,15 +3688,15 @@ msgctxt "frames per second" msgid " FPS" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 -#. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113 :1675 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 +#. i18n: ectx: property (text), widget (QLabel, frameLabel) +#: qtplugins/playertool/playertool.cpp:113 :1678 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 -#: qtplugins/surfaces/surfacedialog.cpp:219 +#: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" msgstr "" @@ -3722,7 +3722,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" msgstr "" @@ -3738,11 +3738,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "" -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4288,15 +4288,15 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30 :1714 +#: qtplugins/select/select.h:30 :1717 msgid "Select" msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:51 +#: qtplugins/selectiontool/selectiontool.cpp:50 msgid "Selection" msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:54 +#: qtplugins/selectiontool/selectiontool.cpp:53 msgid "" "Selection Tool\n" "\n" @@ -4307,7 +4307,7 @@ msgid "" "Double-Click: \tSelect an entire fragment." msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:236 +#: qtplugins/selectiontool/selectiontool.cpp:238 msgid "Paint Atoms" msgstr "" @@ -4326,7 +4326,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:68 :1699 +#: qtplugins/spacegroup/spacegroup.cpp:68 :1702 msgid "Symmetrize" msgstr "" @@ -4458,39 +4458,43 @@ msgstr "" msgid "Display spectra and vibrational modes." msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:27 +#: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:29 +#: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:156 +#: qtplugins/surfaces/surfacedialog.cpp:162 msgid "Molecular Orbital" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:158 +#: qtplugins/surfaces/surfacedialog.cpp:165 msgid "Electron Density" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:177 +#: qtplugins/surfaces/surfacedialog.cpp:172 +msgid "Spin Density" +msgstr "" + +#: qtplugins/surfaces/surfacedialog.cpp:184 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:179 +#: qtplugins/surfaces/surfacedialog.cpp:186 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:181 +#: qtplugins/surfaces/surfacedialog.cpp:188 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:196 +#: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" msgstr "" @@ -4530,28 +4534,28 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:568 +#: qtplugins/surfaces/surfaces.cpp:571 msgid "Calculating electron density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:577 +#: qtplugins/surfaces/surfaces.cpp:580 msgid "Calculating spin density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:586 +#: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 +#: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:837 msgid "Export Movie" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:835 +#: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4589,7 +4593,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34 :1684 +#: qtplugins/symmetry/symmetry.h:34 :1687 msgid "Symmetry" msgstr "" @@ -6927,66 +6931,71 @@ msgstr "" msgid "Electrostatic Potential" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:209 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:231 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:236 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:241 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:367 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:384 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:246 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:251 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:306 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:352 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 +#. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) +msgid " " +msgstr "" + +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:379 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:389 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:529 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:542 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." msgstr "" From cc5fa6591593c8421e55d7ec368890a6d629665e Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sat, 28 Oct 2023 22:11:14 -0400 Subject: [PATCH 085/186] Add support for reading Mayer bond orders >1.6 Should help with adding orders for inorganic / organometallics Signed-off-by: Geoff Hutchison --- avogadro/quantumio/orca.cpp | 59 +++++++++++++++++++++++++++++++++---- 1 file changed, 54 insertions(+), 5 deletions(-) diff --git a/avogadro/quantumio/orca.cpp b/avogadro/quantumio/orca.cpp index bc15cecc96..1748711678 100644 --- a/avogadro/quantumio/orca.cpp +++ b/avogadro/quantumio/orca.cpp @@ -78,19 +78,23 @@ bool ORCAOutput::read(std::istream& in, Core::Molecule& molecule) molecule.setVibrationRamanIntensities(m_RamanIntensities); } - // for now, do simple bond perception + // guess bonds and bond orders molecule.perceiveBondsSimple(); molecule.perceiveBondOrders(); - // add bonds from calculated bond orders + // check bonds from calculated bond orders if (m_bondOrders.size() > 0) { for (unsigned int i = 0; i < m_bondOrders.size(); i++) { // m_bondOrders[i][0] is the first atom // m_bondOrders[i][1] is the second atom // m_bondOrders[i][2] is the bond order - if (m_bondOrders[i].size() > 2) - molecule.addBond(m_bondOrders[i][0], m_bondOrders[i][1], - static_cast(m_bondOrders[i][2])); + if (m_bondOrders[i].size() > 2) { + auto bond = molecule.bond(m_bondOrders[i][0], m_bondOrders[i][1]); + if (bond.isValid() && bond.order() != m_bondOrders[i][2]) { + // if the bond order is different, change it + bond.setOrder(static_cast(m_bondOrders[i][2])); + } + } } } @@ -289,6 +293,51 @@ void ORCAOutput::processLine(std::istream& in, GaussianSet* basis) while (key[0] == 'B') { // @todo .. parse the bonds based on character position // e.g. B( 0-Ru, 1-C ) : 0.4881 B( 0-Ru, 4-C ) : 0.6050 + Index firstAtom = Core::lexicalCast(key.substr(2, 3)); + Index secondAtom = Core::lexicalCast(key.substr(9, 3)); + double bondOrder = Core::lexicalCast(key.substr(18, 9)); + + if (bondOrder > 1.6) { + std::vector bond; + bond.push_back(firstAtom); + bond.push_back(secondAtom); + bond.push_back(static_cast(std::round(bondOrder))); + m_bondOrders.push_back(bond); + std::cout << " bond " << firstAtom << " " << secondAtom << " " + << bondOrder << std::endl; + } + + if (key.size() > 54 && key[28] == 'B') { + firstAtom = Core::lexicalCast(key.substr(30, 3)); + secondAtom = Core::lexicalCast(key.substr(37, 3)); + bondOrder = Core::lexicalCast(key.substr(46, 9)); + + if (bondOrder > 1.6) { + std::vector bond; + bond.push_back(firstAtom); + bond.push_back(secondAtom); + bond.push_back(static_cast(std::round(bondOrder))); + std::cout << " bond " << firstAtom << " " << secondAtom << " " + << bondOrder << std::endl; + m_bondOrders.push_back(bond); + } + } + if (key.size() > 82 && key[56] == 'B') { + firstAtom = Core::lexicalCast(key.substr(58, 3)); + secondAtom = Core::lexicalCast(key.substr(65, 3)); + bondOrder = Core::lexicalCast(key.substr(74, 9)); + + if (bondOrder > 1.6) { + std::vector bond; + bond.push_back(firstAtom); + bond.push_back(secondAtom); + bond.push_back(static_cast(std::round(bondOrder))); + std::cout << " bond " << firstAtom << " " << secondAtom << " " + << bondOrder << std::endl; + m_bondOrders.push_back(bond); + } + } + getline(in, key); key = Core::trimmed(key); } From d5473199c4077c2d4c82364128184c29f38cd14e Mon Sep 17 00:00:00 2001 From: Hosted Weblate Date: Sun, 29 Oct 2023 02:29:51 +0000 Subject: [PATCH 086/186] Update translation files Updated by "Update PO files to match POT (msgmerge)" hook in Weblate. Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ --- i18n/af.po | 219 ++++++++++++++++++++++-------------------- i18n/ar.po | 224 ++++++++++++++++++++++--------------------- i18n/bg.po | 226 ++++++++++++++++++++++--------------------- i18n/bs.po | 226 ++++++++++++++++++++++--------------------- i18n/ca.po | 226 ++++++++++++++++++++++--------------------- i18n/ca@valencia.po | 226 ++++++++++++++++++++++--------------------- i18n/cs.po | 226 ++++++++++++++++++++++--------------------- i18n/da.po | 226 ++++++++++++++++++++++--------------------- i18n/de.po | 223 ++++++++++++++++++++++-------------------- i18n/el.po | 226 ++++++++++++++++++++++--------------------- i18n/en_AU.po | 226 ++++++++++++++++++++++--------------------- i18n/en_CA.po | 226 ++++++++++++++++++++++--------------------- i18n/en_GB.po | 226 ++++++++++++++++++++++--------------------- i18n/eo.po | 223 ++++++++++++++++++++++-------------------- i18n/es.po | 229 +++++++++++++++++++++++--------------------- i18n/et.po | 224 ++++++++++++++++++++++--------------------- i18n/eu.po | 226 ++++++++++++++++++++++--------------------- i18n/fa.po | 219 ++++++++++++++++++++++-------------------- i18n/fi.po | 226 ++++++++++++++++++++++--------------------- i18n/fr.po | 223 ++++++++++++++++++++++-------------------- i18n/fr_CA.po | 219 ++++++++++++++++++++++-------------------- i18n/gl.po | 226 ++++++++++++++++++++++--------------------- i18n/he.po | 219 ++++++++++++++++++++++-------------------- i18n/hi.po | 219 ++++++++++++++++++++++-------------------- i18n/hr.po | 219 ++++++++++++++++++++++-------------------- i18n/hu.po | 223 ++++++++++++++++++++++-------------------- i18n/id.po | 223 ++++++++++++++++++++++-------------------- i18n/it.po | 226 ++++++++++++++++++++++--------------------- i18n/ja.po | 223 ++++++++++++++++++++++-------------------- i18n/ka.po | 223 ++++++++++++++++++++++-------------------- i18n/kn.po | 224 ++++++++++++++++++++++--------------------- i18n/ko.po | 223 ++++++++++++++++++++++-------------------- i18n/ms.po | 226 ++++++++++++++++++++++--------------------- i18n/nb.po | 221 ++++++++++++++++++++++-------------------- i18n/nl.po | 226 ++++++++++++++++++++++--------------------- i18n/oc.po | 226 ++++++++++++++++++++++--------------------- i18n/pl.po | 224 ++++++++++++++++++++++--------------------- i18n/pt.po | 223 ++++++++++++++++++++++-------------------- i18n/pt_BR.po | 223 ++++++++++++++++++++++-------------------- i18n/ro.po | 219 ++++++++++++++++++++++-------------------- i18n/ru.po | 226 ++++++++++++++++++++++--------------------- i18n/sa.po | 219 ++++++++++++++++++++++-------------------- i18n/sk.po | 226 ++++++++++++++++++++++--------------------- i18n/sl.po | 226 ++++++++++++++++++++++--------------------- i18n/sq.po | 219 ++++++++++++++++++++++-------------------- i18n/sr.po | 223 ++++++++++++++++++++++-------------------- i18n/sv.po | 219 ++++++++++++++++++++++-------------------- i18n/ta.po | 219 ++++++++++++++++++++++-------------------- i18n/te.po | 219 ++++++++++++++++++++++-------------------- i18n/th.po | 219 ++++++++++++++++++++++-------------------- i18n/tr.po | 226 ++++++++++++++++++++++--------------------- i18n/ug.po | 224 ++++++++++++++++++++++--------------------- i18n/uk.po | 226 ++++++++++++++++++++++--------------------- i18n/vi.po | 226 ++++++++++++++++++++++--------------------- i18n/zh_CN.po | 226 ++++++++++++++++++++++--------------------- i18n/zh_TW.po | 226 ++++++++++++++++++++++--------------------- 56 files changed, 6548 insertions(+), 5972 deletions(-) diff --git a/i18n/af.po b/i18n/af.po index 247176e6cf..539182a6de 100644 --- a/i18n/af.po +++ b/i18n/af.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-23 23:03+0000\n" +"POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2021-06-19 13:34+0000\n" "Last-Translator: Nathan \n" "Language-Team: Afrikaans \n" "Language-Team: Arabic \n" "Language-Team: Bulgarian \n" "Language-Team: Bosnian \n" "Language-Team: Catalan \n" "Language-Team: Catalan (Valencia) \n" @@ -29,7 +29,7 @@ msgstr "" msgid "No message specified." msgstr "" -#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:68 +#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " @@ -37,72 +37,72 @@ msgid "" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:205 -#: qtgui/interfacescript.cpp:301 +#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 +#: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." msgstr "" -#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:208 -#: qtgui/interfacescript.cpp:304 +#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 +#: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." msgstr "" -#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:324 +#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" -#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:326 +#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" msgstr "" -#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:330 +#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" -#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:363 +#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:369 +#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" -#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:375 +#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." msgstr "" -#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:379 +#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." msgstr "" -#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:390 +#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" -#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:395 +#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." msgstr "" -#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:406 +#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." msgstr "" -#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:410 +#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:454 +#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" @@ -123,7 +123,7 @@ msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" -#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:512 +#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" @@ -132,7 +132,7 @@ msgid "" "%3" msgstr "" -#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:521 +#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" @@ -489,7 +489,7 @@ msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1747 +#: qtgui/elementtranslator.cpp:34:1750 msgid "Carbon" msgstr "Carboni" @@ -571,13 +571,13 @@ msgstr "Manganés" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1750 +#: qtgui/elementtranslator.cpp:94:1753 msgid "Iron" msgstr "Ferro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1753 +#: qtgui/elementtranslator.cpp:97:1756 msgid "Cobalt" msgstr "Cobalt" @@ -1022,18 +1022,18 @@ msgstr "Tots els fitxers" msgid "All supported formats" msgstr "" -#: qtgui/interfacescript.cpp:222 +#: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:492 +#: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:500 +#: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" @@ -1196,7 +1196,7 @@ msgstr "QTAIM" msgid "Symmetry Elements" msgstr "" -#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:26 +#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" @@ -1306,7 +1306,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1567 +#: qtplugins/selectiontool/selectiontool.cpp:254:1567 #, fuzzy msgid "Change Layer" msgstr "Canvia l'orde de l'enllaç" @@ -1731,25 +1731,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:735 +#: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:737 +#: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:739 +#: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:741 +#: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1757,7 +1757,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:743 +#: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1765,7 +1765,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:745 +#: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1773,7 +1773,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:747 +#: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1781,7 +1781,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:749 +#: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1789,19 +1789,19 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:751 +#: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:181 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 #, fuzzy #| msgid "Spectra" msgctxt "colormap" @@ -1810,20 +1810,20 @@ msgstr "Espectre" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1832,22 +1832,22 @@ msgstr "Cancel·la" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:186 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1882,7 +1882,7 @@ msgstr "Colors seleccionats" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 @@ -2119,7 +2119,7 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:272 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 #: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 @@ -2348,12 +2348,12 @@ msgstr "" msgid "Edit Atomic Coordinates" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:261 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1675 msgid "Custom" msgstr "Personalitzat" @@ -2779,9 +2779,9 @@ msgstr "" msgid "Other…" msgstr "Altra" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" @@ -2908,22 +2908,22 @@ msgstr "Fixa els àtoms seleccionats" msgid "&Calculate" msgstr "Calcula" -#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 #, fuzzy msgid "Optimize Geometry" msgstr "&Optimitza Geometria" -#: qtplugins/forcefield/forcefield.cpp:328 +#: qtplugins/forcefield/forcefield.cpp:329 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energia = %L1 %2" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 -#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 +#: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" @@ -2960,17 +2960,17 @@ msgstr "" msgid "Merck Molecular Force Field 94" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:238 +#: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:248 +#: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:256 +#: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" @@ -3222,7 +3222,7 @@ msgstr "Distància" #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" @@ -3440,7 +3440,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 #, fuzzy msgid "&Analysis" msgstr "Analític" @@ -3900,16 +3900,16 @@ msgctxt "frames per second" msgid " FPS" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 -#. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1675 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 +#. i18n: ectx: property (text), widget (QLabel, frameLabel) +#: qtplugins/playertool/playertool.cpp:113:1678 #, fuzzy msgid "Frame:" msgstr "Paràmetres:" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 -#: qtplugins/surfaces/surfacedialog.cpp:219 +#: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" msgstr "" @@ -3936,7 +3936,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" msgstr "" @@ -3953,11 +3953,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "fitxers de vídeo (*.avi)" -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4571,16 +4571,16 @@ msgstr "Selecciona per residu..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1714 +#: qtplugins/select/select.h:30:1717 #, fuzzy msgid "Select" msgstr "&Selecciona" -#: qtplugins/selectiontool/selectiontool.cpp:51 +#: qtplugins/selectiontool/selectiontool.cpp:50 msgid "Selection" msgstr "Selecció" -#: qtplugins/selectiontool/selectiontool.cpp:54 +#: qtplugins/selectiontool/selectiontool.cpp:53 msgid "" "Selection Tool\n" "\n" @@ -4591,7 +4591,7 @@ msgid "" "Double-Click: \tSelect an entire fragment." msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:236 +#: qtplugins/selectiontool/selectiontool.cpp:238 #, fuzzy msgid "Paint Atoms" msgstr "Àtom inicial" @@ -4613,7 +4613,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:68:1699 +#: qtplugins/spacegroup/spacegroup.cpp:68:1702 msgid "Symmetrize" msgstr "" @@ -4750,42 +4750,48 @@ msgstr "" msgid "Display spectra and vibrational modes." msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:27 +#: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:29 +#: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:156 +#: qtplugins/surfaces/surfacedialog.cpp:162 #, fuzzy msgid "Molecular Orbital" msgstr "Orbital molecular" -#: qtplugins/surfaces/surfacedialog.cpp:158 +#: qtplugins/surfaces/surfacedialog.cpp:165 msgid "Electron Density" msgstr "Densitat d'electrons" -#: qtplugins/surfaces/surfacedialog.cpp:177 +#: qtplugins/surfaces/surfacedialog.cpp:172 +#, fuzzy +#| msgid "Intensity" +msgid "Spin Density" +msgstr "Intensitat" + +#: qtplugins/surfaces/surfacedialog.cpp:184 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" -#: qtplugins/surfaces/surfacedialog.cpp:179 +#: qtplugins/surfaces/surfacedialog.cpp:186 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" -#: qtplugins/surfaces/surfacedialog.cpp:181 +#: qtplugins/surfaces/surfacedialog.cpp:188 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" -#: qtplugins/surfaces/surfacedialog.cpp:196 +#: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" msgstr "" @@ -4833,31 +4839,31 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:568 +#: qtplugins/surfaces/surfaces.cpp:571 #, fuzzy msgid "Calculating electron density" msgstr "Calculant la densitat d'electrons" -#: qtplugins/surfaces/surfaces.cpp:577 +#: qtplugins/surfaces/surfaces.cpp:580 #, fuzzy msgid "Calculating spin density" msgstr "Calculant la densitat d'electrons" -#: qtplugins/surfaces/surfaces.cpp:586 +#: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 +#: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:837 #, fuzzy msgid "Export Movie" msgstr "E&xporta Imatge" -#: qtplugins/surfaces/surfaces.cpp:835 +#: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4895,7 +4901,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1684 +#: qtplugins/symmetry/symmetry.h:34:1687 msgid "Symmetry" msgstr "" @@ -7298,71 +7304,78 @@ msgstr "Color de:" msgid "Electrostatic Potential" msgstr "Potencial electrostàtic" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:209 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolució:" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:231 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:236 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Baix" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:241 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:367 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:384 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Mitjà" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:246 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Alt" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:251 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Molt alt" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:306 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Valor de la isosuperfície :" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:352 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 +#. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) +#, fuzzy +#| msgid " K" +msgid " " +msgstr " K" + +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy #| msgid "Nothing" msgid "Smoothing:" msgstr "No res" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:379 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Llum" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:389 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #, fuzzy #| msgid "Strontium" msgid "Strong" msgstr "Estronci" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:529 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcula" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:542 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." msgstr "" @@ -8704,9 +8717,6 @@ msgstr "" #~ msgid "Activity" #~ msgstr "Activitat" -#~ msgid "Intensity" -#~ msgstr "Intensitat" - #~ msgid "X Axis" #~ msgstr "Eix X" diff --git a/i18n/cs.po b/i18n/cs.po index 18fe0c44ee..40f5614973 100644 --- a/i18n/cs.po +++ b/i18n/cs.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-23 23:03+0000\n" +"POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2016-06-29 05:59+0000\n" "Last-Translator: fri \n" "Language-Team: Czech \n" @@ -29,7 +29,7 @@ msgstr "" msgid "No message specified." msgstr "" -#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:68 +#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " @@ -37,72 +37,72 @@ msgid "" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:205 -#: qtgui/interfacescript.cpp:301 +#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 +#: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." msgstr "" -#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:208 -#: qtgui/interfacescript.cpp:304 +#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 +#: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." msgstr "" -#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:324 +#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" -#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:326 +#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" msgstr "" -#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:330 +#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" -#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:363 +#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:369 +#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" -#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:375 +#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." msgstr "" -#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:379 +#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." msgstr "" -#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:390 +#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" -#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:395 +#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." msgstr "" -#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:406 +#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." msgstr "" -#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:410 +#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:454 +#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" @@ -123,7 +123,7 @@ msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" -#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:512 +#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" @@ -132,7 +132,7 @@ msgid "" "%3" msgstr "" -#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:521 +#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" @@ -489,7 +489,7 @@ msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1747 +#: qtgui/elementtranslator.cpp:34:1750 msgid "Carbon" msgstr "Uhlík" @@ -571,13 +571,13 @@ msgstr "Hořčík" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1750 +#: qtgui/elementtranslator.cpp:94:1753 msgid "Iron" msgstr "Železo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1753 +#: qtgui/elementtranslator.cpp:97:1756 msgid "Cobalt" msgstr "Kobalt" @@ -1022,18 +1022,18 @@ msgstr "Všechny soubory" msgid "All supported formats" msgstr "" -#: qtgui/interfacescript.cpp:222 +#: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:492 +#: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:500 +#: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" @@ -1196,7 +1196,7 @@ msgstr "QTAIM" msgid "Symmetry Elements" msgstr "" -#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:26 +#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" @@ -1306,7 +1306,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1567 +#: qtplugins/selectiontool/selectiontool.cpp:254:1567 #, fuzzy msgid "Change Layer" msgstr "Změnit druh vazby" @@ -1743,25 +1743,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:735 +#: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:737 +#: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:739 +#: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:741 +#: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1769,7 +1769,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:743 +#: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1777,7 +1777,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:745 +#: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1785,7 +1785,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:747 +#: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1793,7 +1793,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:749 +#: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1801,19 +1801,19 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:751 +#: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:181 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 #, fuzzy #| msgid "Spectra" msgctxt "colormap" @@ -1822,20 +1822,20 @@ msgstr "Spektra" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1844,22 +1844,22 @@ msgstr "Zrušit" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:186 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1894,7 +1894,7 @@ msgstr "Vybrané barvy" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 @@ -2153,7 +2153,7 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:272 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 #: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 @@ -2383,12 +2383,12 @@ msgstr "" msgid "Edit Atomic Coordinates" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:261 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1675 msgid "Custom" msgstr "Vlastní" @@ -2837,9 +2837,9 @@ msgstr "" msgid "Other…" msgstr "jiné" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" @@ -2967,22 +2967,22 @@ msgstr "Upevnit vybrané atomy" msgid "&Calculate" msgstr "Vypočítat" -#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 #, fuzzy msgid "Optimize Geometry" msgstr "&Vyladit uspořádání" -#: qtplugins/forcefield/forcefield.cpp:328 +#: qtplugins/forcefield/forcefield.cpp:329 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energie = %L1 %2" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 -#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 +#: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" @@ -3019,17 +3019,17 @@ msgstr "" msgid "Merck Molecular Force Field 94" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:238 +#: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:248 +#: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:256 +#: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" @@ -3278,7 +3278,7 @@ msgstr "Vzdálenost" #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" @@ -3528,7 +3528,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 #, fuzzy msgid "&Analysis" msgstr "Analytická" @@ -3998,16 +3998,16 @@ msgctxt "frames per second" msgid " FPS" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 -#. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1675 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 +#. i18n: ectx: property (text), widget (QLabel, frameLabel) +#: qtplugins/playertool/playertool.cpp:113:1678 #, fuzzy msgid "Frame:" msgstr "Snímky" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 -#: qtplugins/surfaces/surfacedialog.cpp:219 +#: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" msgstr "" @@ -4034,7 +4034,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" msgstr "" @@ -4051,11 +4051,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "Video soubory (*.avi)" -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4671,16 +4671,16 @@ msgstr "Výběr podle zbytku..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1714 +#: qtplugins/select/select.h:30:1717 #, fuzzy msgid "Select" msgstr "&Vybrat" -#: qtplugins/selectiontool/selectiontool.cpp:51 +#: qtplugins/selectiontool/selectiontool.cpp:50 msgid "Selection" msgstr "Výběr" -#: qtplugins/selectiontool/selectiontool.cpp:54 +#: qtplugins/selectiontool/selectiontool.cpp:53 #, fuzzy #| msgid "" #| "Selection Tool (F11)\n" @@ -4707,7 +4707,7 @@ msgstr "" "Pravé tlačítko myši: \tKlepněte vně molekuly pro zbavení se výběru\n" "Dvojité klepnutí: \t Vyberte celý fragment." -#: qtplugins/selectiontool/selectiontool.cpp:236 +#: qtplugins/selectiontool/selectiontool.cpp:238 #, fuzzy msgid "Paint Atoms" msgstr "Počáteční atom" @@ -4730,7 +4730,7 @@ msgstr "Vnímat prostorovou skupinu" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:68:1699 +#: qtplugins/spacegroup/spacegroup.cpp:68:1702 msgid "Symmetrize" msgstr "" @@ -4876,42 +4876,48 @@ msgstr "" msgid "Display spectra and vibrational modes." msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:27 +#: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:29 +#: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:156 +#: qtplugins/surfaces/surfacedialog.cpp:162 #, fuzzy msgid "Molecular Orbital" msgstr "Molekulový orbital" -#: qtplugins/surfaces/surfacedialog.cpp:158 +#: qtplugins/surfaces/surfacedialog.cpp:165 msgid "Electron Density" msgstr "Elektronová hustota" -#: qtplugins/surfaces/surfacedialog.cpp:177 +#: qtplugins/surfaces/surfacedialog.cpp:172 +#, fuzzy +#| msgid "Intensity" +msgid "Spin Density" +msgstr "Intenzita" + +#: qtplugins/surfaces/surfacedialog.cpp:184 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" -#: qtplugins/surfaces/surfacedialog.cpp:179 +#: qtplugins/surfaces/surfacedialog.cpp:186 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" -#: qtplugins/surfaces/surfacedialog.cpp:181 +#: qtplugins/surfaces/surfacedialog.cpp:188 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" -#: qtplugins/surfaces/surfacedialog.cpp:196 +#: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" msgstr "" @@ -4959,31 +4965,31 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:568 +#: qtplugins/surfaces/surfaces.cpp:571 #, fuzzy msgid "Calculating electron density" msgstr "Počítá se elektronová hustotu" -#: qtplugins/surfaces/surfaces.cpp:577 +#: qtplugins/surfaces/surfaces.cpp:580 #, fuzzy msgid "Calculating spin density" msgstr "Počítá se elektronová hustotu" -#: qtplugins/surfaces/surfaces.cpp:586 +#: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 +#: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:837 #, fuzzy msgid "Export Movie" msgstr "Vy&vést obrázek do souboru" -#: qtplugins/surfaces/surfaces.cpp:835 +#: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -5023,7 +5029,7 @@ msgstr "Souměrnost" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1684 +#: qtplugins/symmetry/symmetry.h:34:1687 msgid "Symmetry" msgstr "Souměrnost" @@ -7436,71 +7442,78 @@ msgstr "Barva dle:" msgid "Electrostatic Potential" msgstr "Elektrostatický potenciál" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:209 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Rozlišení:" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:231 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:236 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Nízká" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:241 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:367 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:384 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Střední" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:246 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Vysoká" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:251 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Velmi vysoká" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:306 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "&Hodnota isopovrchu:" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:352 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 +#. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) +#, fuzzy +#| msgid " K" +msgid " " +msgstr " K" + +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy #| msgid "Nothing" msgid "Smoothing:" msgstr "Nic" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:379 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Světlo" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:389 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #, fuzzy #| msgid "Strontium" msgid "Strong" msgstr "Stroncium" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:529 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Vypočítat" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:542 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." msgstr "" @@ -9311,9 +9324,6 @@ msgstr "" #~ msgid "Activity" #~ msgstr "Činnost" -#~ msgid "Intensity" -#~ msgstr "Intenzita" - #~ msgid "X Axis" #~ msgstr "Osa X" diff --git a/i18n/da.po b/i18n/da.po index 2306896594..4a349442c3 100644 --- a/i18n/da.po +++ b/i18n/da.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-23 23:03+0000\n" +"POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2016-06-10 06:28+0000\n" "Last-Translator: jvd \n" "Language-Team: Danish \n" @@ -27,7 +27,7 @@ msgstr "" msgid "No message specified." msgstr "" -#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:68 +#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " @@ -35,72 +35,72 @@ msgid "" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:205 -#: qtgui/interfacescript.cpp:301 +#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 +#: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." msgstr "" -#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:208 -#: qtgui/interfacescript.cpp:304 +#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 +#: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." msgstr "" -#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:324 +#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" -#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:326 +#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" msgstr "" -#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:330 +#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" -#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:363 +#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:369 +#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" -#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:375 +#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." msgstr "" -#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:379 +#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." msgstr "" -#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:390 +#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" -#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:395 +#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." msgstr "" -#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:406 +#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." msgstr "" -#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:410 +#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:454 +#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" @@ -121,7 +121,7 @@ msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" -#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:512 +#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" @@ -130,7 +130,7 @@ msgid "" "%3" msgstr "" -#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:521 +#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" @@ -487,7 +487,7 @@ msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1747 +#: qtgui/elementtranslator.cpp:34:1750 msgid "Carbon" msgstr "Kulstof" @@ -569,13 +569,13 @@ msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1750 +#: qtgui/elementtranslator.cpp:94:1753 msgid "Iron" msgstr "Jern" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1753 +#: qtgui/elementtranslator.cpp:97:1756 msgid "Cobalt" msgstr "Kobolt" @@ -1020,18 +1020,18 @@ msgstr "Alle filer" msgid "All supported formats" msgstr "" -#: qtgui/interfacescript.cpp:222 +#: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:492 +#: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:500 +#: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" @@ -1191,7 +1191,7 @@ msgstr "QTAIM" msgid "Symmetry Elements" msgstr "" -#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:26 +#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" @@ -1301,7 +1301,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1567 +#: qtplugins/selectiontool/selectiontool.cpp:254:1567 #, fuzzy msgid "Change Layer" msgstr "Ændr bindingsorden" @@ -1724,25 +1724,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:735 +#: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:737 +#: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:739 +#: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:741 +#: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1750,7 +1750,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:743 +#: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1758,7 +1758,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:745 +#: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1766,7 +1766,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:747 +#: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1774,7 +1774,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:749 +#: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1782,19 +1782,19 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:751 +#: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:181 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 #, fuzzy #| msgid "Spectra" msgctxt "colormap" @@ -1803,20 +1803,20 @@ msgstr "Spektre" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1825,22 +1825,22 @@ msgstr "Annullér" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:186 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1875,7 +1875,7 @@ msgstr "Valgte farver" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 @@ -2107,7 +2107,7 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:272 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 #: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 @@ -2332,12 +2332,12 @@ msgstr "" msgid "Edit Atomic Coordinates" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:261 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1675 msgid "Custom" msgstr "" @@ -2767,9 +2767,9 @@ msgstr "" msgid "Other…" msgstr "Andet..." -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" @@ -2895,22 +2895,22 @@ msgstr "Ret valgte atomer" msgid "&Calculate" msgstr "Udregn energi" -#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 #, fuzzy msgid "Optimize Geometry" msgstr "&Optimer geometri" -#: qtplugins/forcefield/forcefield.cpp:328 +#: qtplugins/forcefield/forcefield.cpp:329 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energi = %L1 %2" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 -#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 +#: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" @@ -2946,17 +2946,17 @@ msgstr "" msgid "Merck Molecular Force Field 94" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:238 +#: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:248 +#: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:256 +#: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" @@ -3206,7 +3206,7 @@ msgstr "Afstand" #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" @@ -3421,7 +3421,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3875,16 +3875,16 @@ msgctxt "frames per second" msgid " FPS" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 -#. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1675 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 +#. i18n: ectx: property (text), widget (QLabel, frameLabel) +#: qtplugins/playertool/playertool.cpp:113:1678 #, fuzzy msgid "Frame:" msgstr "Filnavn:" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 -#: qtplugins/surfaces/surfacedialog.cpp:219 +#: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" msgstr "" @@ -3910,7 +3910,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" msgstr "" @@ -3927,11 +3927,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "video file (*.avi)" -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4538,16 +4538,16 @@ msgstr "Vælg efter rest..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1714 +#: qtplugins/select/select.h:30:1717 #, fuzzy msgid "Select" msgstr "&Vælg" -#: qtplugins/selectiontool/selectiontool.cpp:51 +#: qtplugins/selectiontool/selectiontool.cpp:50 msgid "Selection" msgstr "Udvalg" -#: qtplugins/selectiontool/selectiontool.cpp:54 +#: qtplugins/selectiontool/selectiontool.cpp:53 msgid "" "Selection Tool\n" "\n" @@ -4558,7 +4558,7 @@ msgid "" "Double-Click: \tSelect an entire fragment." msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:236 +#: qtplugins/selectiontool/selectiontool.cpp:238 #, fuzzy msgid "Paint Atoms" msgstr "Start &Animation" @@ -4579,7 +4579,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:68:1699 +#: qtplugins/spacegroup/spacegroup.cpp:68:1702 msgid "Symmetrize" msgstr "" @@ -4716,42 +4716,48 @@ msgstr "" msgid "Display spectra and vibrational modes." msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:27 +#: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:29 +#: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:156 +#: qtplugins/surfaces/surfacedialog.cpp:162 #, fuzzy msgid "Molecular Orbital" msgstr "Molekylær omløbsbane" -#: qtplugins/surfaces/surfacedialog.cpp:158 +#: qtplugins/surfaces/surfacedialog.cpp:165 msgid "Electron Density" msgstr "Elektrontæthed" -#: qtplugins/surfaces/surfacedialog.cpp:177 +#: qtplugins/surfaces/surfacedialog.cpp:172 +#, fuzzy +#| msgid "Electron Density" +msgid "Spin Density" +msgstr "Elektrontæthed" + +#: qtplugins/surfaces/surfacedialog.cpp:184 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" -#: qtplugins/surfaces/surfacedialog.cpp:179 +#: qtplugins/surfaces/surfacedialog.cpp:186 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" -#: qtplugins/surfaces/surfacedialog.cpp:181 +#: qtplugins/surfaces/surfacedialog.cpp:188 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" -#: qtplugins/surfaces/surfacedialog.cpp:196 +#: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" msgstr "" @@ -4799,31 +4805,31 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:568 +#: qtplugins/surfaces/surfaces.cpp:571 #, fuzzy msgid "Calculating electron density" msgstr "Udregner elektrontæthed" -#: qtplugins/surfaces/surfaces.cpp:577 +#: qtplugins/surfaces/surfaces.cpp:580 #, fuzzy msgid "Calculating spin density" msgstr "Udregner elektrontæthed" -#: qtplugins/surfaces/surfaces.cpp:586 +#: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 +#: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:837 #, fuzzy msgid "Export Movie" msgstr "E&xporter billede" -#: qtplugins/surfaces/surfaces.cpp:835 +#: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4861,7 +4867,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1684 +#: qtplugins/symmetry/symmetry.h:34:1687 msgid "Symmetry" msgstr "" @@ -7238,71 +7244,78 @@ msgstr "Farv efter:" msgid "Electrostatic Potential" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:209 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:231 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:236 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:241 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:367 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:384 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:246 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:251 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:306 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Iso værdi:" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:352 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 +#. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) +#, fuzzy +#| msgid " (" +msgid " " +msgstr " (" + +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy #| msgid "Nothing" msgid "Smoothing:" msgstr "Ingenting" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:379 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Lys" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:389 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #, fuzzy #| msgid "Strontium" msgid "Strong" msgstr "Strontium" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:529 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:542 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." msgstr "" @@ -8360,9 +8373,6 @@ msgstr "" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES format konvertering ikke tilgængelig!" -#~ msgid " (" -#~ msgstr " (" - #~ msgid "efp" #~ msgstr "efp" diff --git a/i18n/de.po b/i18n/de.po index 6ef51a048d..186695b1e0 100644 --- a/i18n/de.po +++ b/i18n/de.po @@ -11,7 +11,7 @@ msgid "" msgstr "" "Project-Id-Version: _avogadro-de\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-23 23:03+0000\n" +"POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-08-17 15:50+0000\n" "Last-Translator: Norwid Behrnd \n" "Language-Team: German \n" "Language-Team: Greek \n" "Language-Team: English (Australia) \n" "Language-Team: English (Canada) \n" "Language-Team: English (United Kingdom) \n" "Language-Team: Esperanto \n" "Language-Team: Spanish \n" "Language-Team: Estonian \n" @@ -27,7 +27,7 @@ msgstr "" msgid "No message specified." msgstr "" -#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:68 +#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " @@ -35,72 +35,72 @@ msgid "" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:205 -#: qtgui/interfacescript.cpp:301 +#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 +#: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." msgstr "" -#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:208 -#: qtgui/interfacescript.cpp:304 +#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 +#: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." msgstr "" -#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:324 +#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" -#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:326 +#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" msgstr "" -#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:330 +#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" -#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:363 +#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:369 +#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" -#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:375 +#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." msgstr "" -#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:379 +#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." msgstr "" -#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:390 +#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" -#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:395 +#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." msgstr "" -#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:406 +#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." msgstr "" -#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:410 +#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:454 +#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" @@ -121,7 +121,7 @@ msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" -#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:512 +#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" @@ -130,7 +130,7 @@ msgid "" "%3" msgstr "" -#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:521 +#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" @@ -487,7 +487,7 @@ msgstr "Boor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1747 +#: qtgui/elementtranslator.cpp:34:1750 msgid "Carbon" msgstr "Süsinik" @@ -569,13 +569,13 @@ msgstr "Mangaan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1750 +#: qtgui/elementtranslator.cpp:94:1753 msgid "Iron" msgstr "Raud" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1753 +#: qtgui/elementtranslator.cpp:97:1756 msgid "Cobalt" msgstr "Koobalt" @@ -1017,18 +1017,18 @@ msgstr "" msgid "All supported formats" msgstr "" -#: qtgui/interfacescript.cpp:222 +#: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:492 +#: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:500 +#: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" @@ -1183,7 +1183,7 @@ msgstr "" msgid "Symmetry Elements" msgstr "" -#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:26 +#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" @@ -1293,7 +1293,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1567 +#: qtplugins/selectiontool/selectiontool.cpp:254:1567 msgid "Change Layer" msgstr "" @@ -1696,25 +1696,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:735 +#: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:737 +#: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:739 +#: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:741 +#: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1722,7 +1722,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:743 +#: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1730,7 +1730,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:745 +#: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1738,7 +1738,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:747 +#: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1746,7 +1746,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:749 +#: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1754,61 +1754,61 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:751 +#: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:181 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:186 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1840,7 +1840,7 @@ msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 @@ -2060,7 +2060,7 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:272 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 #: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 @@ -2279,12 +2279,12 @@ msgstr "" msgid "Edit Atomic Coordinates" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:261 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1675 msgid "Custom" msgstr "" @@ -2698,9 +2698,9 @@ msgstr "" msgid "Other…" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" @@ -2819,21 +2819,21 @@ msgstr "Impordi valitud aatomid" msgid "&Calculate" msgstr "Arvuta" -#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 msgid "Optimize Geometry" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:328 +#: qtplugins/forcefield/forcefield.cpp:329 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energia = %L1 %2" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 -#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 +#: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" @@ -2865,17 +2865,17 @@ msgstr "" msgid "Merck Molecular Force Field 94" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:238 +#: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:248 +#: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:256 +#: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" @@ -3108,7 +3108,7 @@ msgstr "Värv kauguse järgi" #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" @@ -3315,7 +3315,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3757,16 +3757,16 @@ msgctxt "frames per second" msgid " FPS" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 -#. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1675 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 +#. i18n: ectx: property (text), widget (QLabel, frameLabel) +#: qtplugins/playertool/playertool.cpp:113:1678 #, fuzzy msgid "Frame:" msgstr "Jäägi nimi" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 -#: qtplugins/surfaces/surfacedialog.cpp:219 +#: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" msgstr "" @@ -3792,7 +3792,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" msgstr "" @@ -3809,11 +3809,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "videofailid (*.avi)" -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4409,16 +4409,16 @@ msgstr "Vali jäägi järgi..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1714 +#: qtplugins/select/select.h:30:1717 #, fuzzy msgid "Select" msgstr "Vali lahusti" -#: qtplugins/selectiontool/selectiontool.cpp:51 +#: qtplugins/selectiontool/selectiontool.cpp:50 msgid "Selection" msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:54 +#: qtplugins/selectiontool/selectiontool.cpp:53 msgid "" "Selection Tool\n" "\n" @@ -4429,7 +4429,7 @@ msgid "" "Double-Click: \tSelect an entire fragment." msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:236 +#: qtplugins/selectiontool/selectiontool.cpp:238 #, fuzzy msgid "Paint Atoms" msgstr "Esimene aatom" @@ -4450,7 +4450,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:68:1699 +#: qtplugins/spacegroup/spacegroup.cpp:68:1702 msgid "Symmetrize" msgstr "" @@ -4583,40 +4583,44 @@ msgstr "" msgid "Display spectra and vibrational modes." msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:27 +#: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:29 +#: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:156 +#: qtplugins/surfaces/surfacedialog.cpp:162 #, fuzzy msgid "Molecular Orbital" msgstr "Molekulaarsed omadused..." -#: qtplugins/surfaces/surfacedialog.cpp:158 +#: qtplugins/surfaces/surfacedialog.cpp:165 msgid "Electron Density" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:177 +#: qtplugins/surfaces/surfacedialog.cpp:172 +msgid "Spin Density" +msgstr "" + +#: qtplugins/surfaces/surfacedialog.cpp:184 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:179 +#: qtplugins/surfaces/surfacedialog.cpp:186 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:181 +#: qtplugins/surfaces/surfacedialog.cpp:188 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:196 +#: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" msgstr "" @@ -4660,30 +4664,30 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:568 +#: qtplugins/surfaces/surfaces.cpp:571 #, fuzzy msgid "Calculating electron density" msgstr "Elektrontihedus" -#: qtplugins/surfaces/surfaces.cpp:577 +#: qtplugins/surfaces/surfaces.cpp:580 #, fuzzy msgid "Calculating spin density" msgstr "Elektrontihedus" -#: qtplugins/surfaces/surfaces.cpp:586 +#: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 +#: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:837 msgid "Export Movie" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:835 +#: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4721,7 +4725,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1684 +#: qtplugins/symmetry/symmetry.h:34:1687 msgid "Symmetry" msgstr "" @@ -7079,68 +7083,75 @@ msgstr "" msgid "Electrostatic Potential" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:209 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:231 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:236 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:241 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:367 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:384 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:246 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:251 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:306 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:352 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 +#. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) +#, fuzzy +#| msgid " (" +msgid " " +msgstr " (" + +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:379 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Hele" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:389 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #, fuzzy #| msgid "Strontium" msgid "Strong" msgstr "Strontsium" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:529 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Arvuta" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:542 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." msgstr "" @@ -7691,9 +7702,6 @@ msgstr "" #~ msgid "URL of molecule to download." #~ msgstr "Allalaaditava molekuli URL." -#~ msgid " (" -#~ msgstr " (" - #~ msgid ")" #~ msgstr ")" diff --git a/i18n/eu.po b/i18n/eu.po index d1e56c0966..7bca672fb8 100644 --- a/i18n/eu.po +++ b/i18n/eu.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-23 23:03+0000\n" +"POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2022-06-22 19:15+0000\n" "Last-Translator: Julen Larrucea \n" "Language-Team: Basque \n" "Language-Team: Finnish \n" @@ -27,7 +27,7 @@ msgstr "" msgid "No message specified." msgstr "" -#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:68 +#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " @@ -35,72 +35,72 @@ msgid "" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:205 -#: qtgui/interfacescript.cpp:301 +#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 +#: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." msgstr "" -#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:208 -#: qtgui/interfacescript.cpp:304 +#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 +#: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." msgstr "" -#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:324 +#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" -#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:326 +#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" msgstr "" -#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:330 +#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" -#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:363 +#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:369 +#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" -#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:375 +#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." msgstr "" -#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:379 +#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." msgstr "" -#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:390 +#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" -#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:395 +#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." msgstr "" -#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:406 +#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." msgstr "" -#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:410 +#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:454 +#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" @@ -121,7 +121,7 @@ msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" -#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:512 +#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" @@ -130,7 +130,7 @@ msgid "" "%3" msgstr "" -#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:521 +#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" @@ -487,7 +487,7 @@ msgstr "Boori" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1747 +#: qtgui/elementtranslator.cpp:34:1750 msgid "Carbon" msgstr "Hiili" @@ -569,13 +569,13 @@ msgstr "Mangaani" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1750 +#: qtgui/elementtranslator.cpp:94:1753 msgid "Iron" msgstr "Rauta" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1753 +#: qtgui/elementtranslator.cpp:97:1756 msgid "Cobalt" msgstr "Koboltti" @@ -1019,18 +1019,18 @@ msgstr "Kaikki tiedostot" msgid "All supported formats" msgstr "" -#: qtgui/interfacescript.cpp:222 +#: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:492 +#: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:500 +#: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" @@ -1187,7 +1187,7 @@ msgstr "" msgid "Symmetry Elements" msgstr "" -#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:26 +#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" @@ -1297,7 +1297,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1567 +#: qtplugins/selectiontool/selectiontool.cpp:254:1567 #, fuzzy msgid "Change Layer" msgstr "Vaihda sidosten järjestystä" @@ -1708,25 +1708,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:735 +#: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:737 +#: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:739 +#: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:741 +#: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1734,7 +1734,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:743 +#: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1742,7 +1742,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:745 +#: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1750,7 +1750,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:747 +#: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1758,7 +1758,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:749 +#: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1766,19 +1766,19 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:751 +#: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:181 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 #, fuzzy #| msgid "Neutral" msgctxt "colormap" @@ -1787,20 +1787,20 @@ msgstr "Neutraali" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1809,22 +1809,22 @@ msgstr "Peruuta" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:186 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1856,7 +1856,7 @@ msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 @@ -2082,7 +2082,7 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:272 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 #: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 @@ -2307,12 +2307,12 @@ msgstr "" msgid "Edit Atomic Coordinates" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:261 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1675 msgid "Custom" msgstr "" @@ -2727,9 +2727,9 @@ msgstr "" msgid "Other…" msgstr "Muu..." -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" @@ -2853,20 +2853,20 @@ msgstr "Kiinnitä valitut atomit paikoilleen" msgid "&Calculate" msgstr "Laske energia" -#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 msgid "Optimize Geometry" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:328 +#: qtplugins/forcefield/forcefield.cpp:329 #, qt-format msgid "%1 Energy = %L2" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 -#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 +#: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" @@ -2901,17 +2901,17 @@ msgstr "" msgid "Merck Molecular Force Field 94" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:238 +#: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:248 +#: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:256 +#: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" @@ -3149,7 +3149,7 @@ msgstr "Etäisyys" #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" @@ -3359,7 +3359,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 #, fuzzy msgid "&Analysis" msgstr "Analyyttinen" @@ -3809,16 +3809,16 @@ msgctxt "frames per second" msgid " FPS" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 -#. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1675 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 +#. i18n: ectx: property (text), widget (QLabel, frameLabel) +#: qtplugins/playertool/playertool.cpp:113:1678 #, fuzzy msgid "Frame:" msgstr "Parametrit:" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 -#: qtplugins/surfaces/surfacedialog.cpp:219 +#: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" msgstr "" @@ -3844,7 +3844,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" msgstr "" @@ -3861,11 +3861,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "videotiedostot (*.avi)" -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4465,16 +4465,16 @@ msgstr "Valintatila:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1714 +#: qtplugins/select/select.h:30:1717 #, fuzzy msgid "Select" msgstr "&Valitse" -#: qtplugins/selectiontool/selectiontool.cpp:51 +#: qtplugins/selectiontool/selectiontool.cpp:50 msgid "Selection" msgstr "Valinta" -#: qtplugins/selectiontool/selectiontool.cpp:54 +#: qtplugins/selectiontool/selectiontool.cpp:53 msgid "" "Selection Tool\n" "\n" @@ -4485,7 +4485,7 @@ msgid "" "Double-Click: \tSelect an entire fragment." msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:236 +#: qtplugins/selectiontool/selectiontool.cpp:238 #, fuzzy msgid "Paint Atoms" msgstr "Animaatio" @@ -4506,7 +4506,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:68:1699 +#: qtplugins/spacegroup/spacegroup.cpp:68:1702 msgid "Symmetrize" msgstr "" @@ -4641,40 +4641,46 @@ msgstr "" msgid "Display spectra and vibrational modes." msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:27 +#: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:29 +#: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:156 +#: qtplugins/surfaces/surfacedialog.cpp:162 #, fuzzy msgid "Molecular Orbital" msgstr "Lasketaan elektronitiheyttä" -#: qtplugins/surfaces/surfacedialog.cpp:158 +#: qtplugins/surfaces/surfacedialog.cpp:165 msgid "Electron Density" msgstr "Elektronitiheys" -#: qtplugins/surfaces/surfacedialog.cpp:177 +#: qtplugins/surfaces/surfacedialog.cpp:172 +#, fuzzy +#| msgid "Electron Density" +msgid "Spin Density" +msgstr "Elektronitiheys" + +#: qtplugins/surfaces/surfacedialog.cpp:184 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:179 +#: qtplugins/surfaces/surfacedialog.cpp:186 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:181 +#: qtplugins/surfaces/surfacedialog.cpp:188 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:196 +#: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" msgstr "" @@ -4718,30 +4724,30 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:568 +#: qtplugins/surfaces/surfaces.cpp:571 #, fuzzy msgid "Calculating electron density" msgstr "Lasketaan elektronitiheyttä" -#: qtplugins/surfaces/surfaces.cpp:577 +#: qtplugins/surfaces/surfaces.cpp:580 #, fuzzy msgid "Calculating spin density" msgstr "Lasketaan elektronitiheyttä" -#: qtplugins/surfaces/surfaces.cpp:586 +#: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 +#: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:837 msgid "Export Movie" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:835 +#: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4779,7 +4785,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1684 +#: qtplugins/symmetry/symmetry.h:34:1687 msgid "Symmetry" msgstr "" @@ -7147,68 +7153,75 @@ msgstr "Väri:" msgid "Electrostatic Potential" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:209 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resoluutio:" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:231 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:236 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:241 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:367 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:384 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:246 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:251 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:306 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:352 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 +#. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) +#, fuzzy +#| msgid " (" +msgid " " +msgstr " (" + +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:379 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:389 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #, fuzzy #| msgid "Strontium" msgid "Strong" msgstr "Strontium" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:529 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:542 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." msgstr "" @@ -7826,9 +7839,6 @@ msgstr "" #~ msgid "Python Terminal" #~ msgstr "Python-terminaali" -#~ msgid " (" -#~ msgstr " (" - #~ msgid ")" #~ msgstr ")" diff --git a/i18n/fr.po b/i18n/fr.po index 2dfc9dbc68..074b9215ef 100644 --- a/i18n/fr.po +++ b/i18n/fr.po @@ -8,7 +8,7 @@ msgid "" msgstr "" "Project-Id-Version: PACKAGE VERSION\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-23 23:03+0000\n" +"POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-10-13 13:02+0000\n" "Last-Translator: Norwid Behrnd \n" "Language-Team: French \n" "Language-Team: Galician \n" @@ -27,7 +27,7 @@ msgstr "" msgid "No message specified." msgstr "" -#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:68 +#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " @@ -35,72 +35,72 @@ msgid "" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:205 -#: qtgui/interfacescript.cpp:301 +#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 +#: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." msgstr "" -#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:208 -#: qtgui/interfacescript.cpp:304 +#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 +#: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." msgstr "" -#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:324 +#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" -#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:326 +#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" msgstr "" -#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:330 +#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" -#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:363 +#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:369 +#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" -#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:375 +#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." msgstr "" -#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:379 +#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." msgstr "" -#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:390 +#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" -#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:395 +#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." msgstr "" -#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:406 +#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." msgstr "" -#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:410 +#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:454 +#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" @@ -121,7 +121,7 @@ msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" -#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:512 +#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" @@ -130,7 +130,7 @@ msgid "" "%3" msgstr "" -#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:521 +#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" @@ -487,7 +487,7 @@ msgstr "Boro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1747 +#: qtgui/elementtranslator.cpp:34:1750 msgid "Carbon" msgstr "Carbono" @@ -569,13 +569,13 @@ msgstr "Manganeso" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1750 +#: qtgui/elementtranslator.cpp:94:1753 msgid "Iron" msgstr "Ferro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1753 +#: qtgui/elementtranslator.cpp:97:1756 msgid "Cobalt" msgstr "Cobalto" @@ -1020,18 +1020,18 @@ msgstr "Todos os ficheiros" msgid "All supported formats" msgstr "" -#: qtgui/interfacescript.cpp:222 +#: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:492 +#: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:500 +#: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" @@ -1194,7 +1194,7 @@ msgstr "QTAIM" msgid "Symmetry Elements" msgstr "" -#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:26 +#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" @@ -1304,7 +1304,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1567 +#: qtplugins/selectiontool/selectiontool.cpp:254:1567 #, fuzzy msgid "Change Layer" msgstr "Modificar a orde de enlace" @@ -1732,25 +1732,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:735 +#: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:737 +#: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:739 +#: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:741 +#: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1758,7 +1758,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:743 +#: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1766,7 +1766,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:745 +#: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1774,7 +1774,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:747 +#: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1782,7 +1782,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:749 +#: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1790,19 +1790,19 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:751 +#: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:181 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 #, fuzzy #| msgid "Spectra" msgctxt "colormap" @@ -1811,20 +1811,20 @@ msgstr "Espectros" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1833,22 +1833,22 @@ msgstr "Cancelar" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:186 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1883,7 +1883,7 @@ msgstr "Cores escollidas" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 @@ -2120,7 +2120,7 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:272 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 #: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 @@ -2350,12 +2350,12 @@ msgstr "" msgid "Edit Atomic Coordinates" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:261 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1675 msgid "Custom" msgstr "Personalizada" @@ -2793,9 +2793,9 @@ msgstr "" msgid "Other…" msgstr "Outro" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" @@ -2922,22 +2922,22 @@ msgstr "Fixar os átomos escollidos" msgid "&Calculate" msgstr "Calcular" -#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 #, fuzzy msgid "Optimize Geometry" msgstr "&Optimizar a xeometría" -#: qtplugins/forcefield/forcefield.cpp:328 +#: qtplugins/forcefield/forcefield.cpp:329 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Enerxía = %L1 %2" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 -#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 +#: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" @@ -2974,17 +2974,17 @@ msgstr "" msgid "Merck Molecular Force Field 94" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:238 +#: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:248 +#: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:256 +#: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" @@ -3236,7 +3236,7 @@ msgstr "Distancia" #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" @@ -3455,7 +3455,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 #, fuzzy msgid "&Analysis" msgstr "Analítico" @@ -3913,16 +3913,16 @@ msgctxt "frames per second" msgid " FPS" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 -#. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1675 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 +#. i18n: ectx: property (text), widget (QLabel, frameLabel) +#: qtplugins/playertool/playertool.cpp:113:1678 #, fuzzy msgid "Frame:" msgstr "Parámetros:" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 -#: qtplugins/surfaces/surfacedialog.cpp:219 +#: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" msgstr "" @@ -3949,7 +3949,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" msgstr "" @@ -3966,11 +3966,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "ficheiros de vídeo (*.avi)" -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4584,16 +4584,16 @@ msgstr "Escoller segundo o residuo..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1714 +#: qtplugins/select/select.h:30:1717 #, fuzzy msgid "Select" msgstr "&Escoller" -#: qtplugins/selectiontool/selectiontool.cpp:51 +#: qtplugins/selectiontool/selectiontool.cpp:50 msgid "Selection" msgstr "Selección" -#: qtplugins/selectiontool/selectiontool.cpp:54 +#: qtplugins/selectiontool/selectiontool.cpp:53 msgid "" "Selection Tool\n" "\n" @@ -4604,7 +4604,7 @@ msgid "" "Double-Click: \tSelect an entire fragment." msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:236 +#: qtplugins/selectiontool/selectiontool.cpp:238 #, fuzzy msgid "Paint Atoms" msgstr "Átomo inicial" @@ -4627,7 +4627,7 @@ msgstr "Percepción do espazo de grupo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:68:1699 +#: qtplugins/spacegroup/spacegroup.cpp:68:1702 msgid "Symmetrize" msgstr "" @@ -4773,42 +4773,48 @@ msgstr "" msgid "Display spectra and vibrational modes." msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:27 +#: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:29 +#: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:156 +#: qtplugins/surfaces/surfacedialog.cpp:162 #, fuzzy msgid "Molecular Orbital" msgstr "Orbital molecular" -#: qtplugins/surfaces/surfacedialog.cpp:158 +#: qtplugins/surfaces/surfacedialog.cpp:165 msgid "Electron Density" msgstr "Densidade electrónica" -#: qtplugins/surfaces/surfacedialog.cpp:177 +#: qtplugins/surfaces/surfacedialog.cpp:172 +#, fuzzy +#| msgid "Intensity" +msgid "Spin Density" +msgstr "Intensidade" + +#: qtplugins/surfaces/surfacedialog.cpp:184 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "OM %L1" -#: qtplugins/surfaces/surfacedialog.cpp:179 +#: qtplugins/surfaces/surfacedialog.cpp:186 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" -#: qtplugins/surfaces/surfacedialog.cpp:181 +#: qtplugins/surfaces/surfacedialog.cpp:188 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" -#: qtplugins/surfaces/surfacedialog.cpp:196 +#: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" msgstr "" @@ -4856,31 +4862,31 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:568 +#: qtplugins/surfaces/surfaces.cpp:571 #, fuzzy msgid "Calculating electron density" msgstr "Calculando a densidade electrónica" -#: qtplugins/surfaces/surfaces.cpp:577 +#: qtplugins/surfaces/surfaces.cpp:580 #, fuzzy msgid "Calculating spin density" msgstr "Calculando a densidade electrónica" -#: qtplugins/surfaces/surfaces.cpp:586 +#: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 +#: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:837 #, fuzzy msgid "Export Movie" msgstr "Exportar a imaxe" -#: qtplugins/surfaces/surfaces.cpp:835 +#: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4920,7 +4926,7 @@ msgstr "Simetria" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1684 +#: qtplugins/symmetry/symmetry.h:34:1687 msgid "Symmetry" msgstr "Simetria" @@ -7327,71 +7333,78 @@ msgstr "Cor segundo:" msgid "Electrostatic Potential" msgstr "Potencial electrostático" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:209 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolución:" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:231 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:236 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Baixa" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:241 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:367 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:384 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Media" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:246 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Alta" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:251 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Moi alta" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:306 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Valor da &isosuperficie:" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:352 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 +#. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) +#, fuzzy +#| msgid " K" +msgid " " +msgstr " K" + +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy #| msgid "Nothing" msgid "Smoothing:" msgstr "Nada" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:379 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Claro" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:389 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #, fuzzy #| msgid "Strontium" msgid "Strong" msgstr "Estroncio" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:529 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcular" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:542 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." msgstr "" @@ -8978,9 +8991,6 @@ msgstr "" #~ msgid "Activity" #~ msgstr "Actividade" -#~ msgid "Intensity" -#~ msgstr "Intensidade" - #~ msgid "X Axis" #~ msgstr "Eixo X" diff --git a/i18n/he.po b/i18n/he.po index e48b0318cd..e6272046fe 100644 --- a/i18n/he.po +++ b/i18n/he.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-23 23:03+0000\n" +"POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2016-06-10 06:32+0000\n" "Last-Translator: Avogadro Team \n" "Language-Team: Hebrew \n" @@ -27,7 +27,7 @@ msgstr "" msgid "No message specified." msgstr "" -#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:68 +#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " @@ -35,72 +35,72 @@ msgid "" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:205 -#: qtgui/interfacescript.cpp:301 +#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 +#: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." msgstr "" -#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:208 -#: qtgui/interfacescript.cpp:304 +#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 +#: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." msgstr "" -#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:324 +#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" -#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:326 +#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" msgstr "" -#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:330 +#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" -#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:363 +#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:369 +#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" -#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:375 +#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." msgstr "" -#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:379 +#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." msgstr "" -#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:390 +#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" -#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:395 +#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." msgstr "" -#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:406 +#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." msgstr "" -#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:410 +#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:454 +#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" @@ -121,7 +121,7 @@ msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" -#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:512 +#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" @@ -130,7 +130,7 @@ msgid "" "%3" msgstr "" -#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:521 +#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" @@ -487,7 +487,7 @@ msgstr "בור" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1747 +#: qtgui/elementtranslator.cpp:34:1750 msgid "Carbon" msgstr "פחמן" @@ -569,13 +569,13 @@ msgstr "מנגן" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1750 +#: qtgui/elementtranslator.cpp:94:1753 msgid "Iron" msgstr "ברזל" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1753 +#: qtgui/elementtranslator.cpp:97:1756 msgid "Cobalt" msgstr "קובלט" @@ -1017,18 +1017,18 @@ msgstr "" msgid "All supported formats" msgstr "" -#: qtgui/interfacescript.cpp:222 +#: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:492 +#: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:500 +#: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" @@ -1185,7 +1185,7 @@ msgstr "" msgid "Symmetry Elements" msgstr "" -#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:26 +#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" @@ -1295,7 +1295,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1567 +#: qtplugins/selectiontool/selectiontool.cpp:254:1567 msgid "Change Layer" msgstr "" @@ -1692,25 +1692,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:735 +#: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:737 +#: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:739 +#: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:741 +#: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1718,7 +1718,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:743 +#: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1726,7 +1726,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:745 +#: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1734,7 +1734,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:747 +#: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1742,7 +1742,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:749 +#: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1750,61 +1750,61 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:751 +#: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:181 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:186 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1837,7 +1837,7 @@ msgstr "בחר צבע לתוויות אטומים" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 @@ -2056,7 +2056,7 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:272 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 #: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 @@ -2269,12 +2269,12 @@ msgstr "" msgid "Edit Atomic Coordinates" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:261 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1675 msgid "Custom" msgstr "" @@ -2685,9 +2685,9 @@ msgstr "" msgid "Other…" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" @@ -2804,20 +2804,20 @@ msgstr "בחר צבע לתוויות אטומים" msgid "&Calculate" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 msgid "Optimize Geometry" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:328 +#: qtplugins/forcefield/forcefield.cpp:329 #, qt-format msgid "%1 Energy = %L2" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 -#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 +#: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "אבוגדרו" @@ -2848,17 +2848,17 @@ msgstr "" msgid "Merck Molecular Force Field 94" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:238 +#: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:248 +#: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:256 +#: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" @@ -3089,7 +3089,7 @@ msgstr "צבע על פי מרחק" #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" @@ -3293,7 +3293,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3725,15 +3725,15 @@ msgctxt "frames per second" msgid " FPS" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 -#. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1675 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 +#. i18n: ectx: property (text), widget (QLabel, frameLabel) +#: qtplugins/playertool/playertool.cpp:113:1678 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 -#: qtplugins/surfaces/surfacedialog.cpp:219 +#: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" msgstr "" @@ -3759,7 +3759,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" msgstr "" @@ -3776,11 +3776,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "קבצי וידאו (*.avi)" -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4340,15 +4340,15 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1714 +#: qtplugins/select/select.h:30:1717 msgid "Select" msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:51 +#: qtplugins/selectiontool/selectiontool.cpp:50 msgid "Selection" msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:54 +#: qtplugins/selectiontool/selectiontool.cpp:53 msgid "" "Selection Tool\n" "\n" @@ -4359,7 +4359,7 @@ msgid "" "Double-Click: \tSelect an entire fragment." msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:236 +#: qtplugins/selectiontool/selectiontool.cpp:238 #, fuzzy msgid "Paint Atoms" msgstr "הנפשה..." @@ -4380,7 +4380,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:68:1699 +#: qtplugins/spacegroup/spacegroup.cpp:68:1702 msgid "Symmetrize" msgstr "" @@ -4513,39 +4513,43 @@ msgstr "" msgid "Display spectra and vibrational modes." msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:27 +#: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:29 +#: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:156 +#: qtplugins/surfaces/surfacedialog.cpp:162 msgid "Molecular Orbital" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:158 +#: qtplugins/surfaces/surfacedialog.cpp:165 msgid "Electron Density" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:177 +#: qtplugins/surfaces/surfacedialog.cpp:172 +msgid "Spin Density" +msgstr "" + +#: qtplugins/surfaces/surfacedialog.cpp:184 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:179 +#: qtplugins/surfaces/surfacedialog.cpp:186 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:181 +#: qtplugins/surfaces/surfacedialog.cpp:188 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:196 +#: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" msgstr "" @@ -4587,28 +4591,28 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:568 +#: qtplugins/surfaces/surfaces.cpp:571 msgid "Calculating electron density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:577 +#: qtplugins/surfaces/surfaces.cpp:580 msgid "Calculating spin density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:586 +#: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 +#: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:837 msgid "Export Movie" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:835 +#: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4646,7 +4650,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1684 +#: qtplugins/symmetry/symmetry.h:34:1687 msgid "Symmetry" msgstr "" @@ -6985,68 +6989,73 @@ msgstr "" msgid "Electrostatic Potential" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:209 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:231 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:236 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:241 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:367 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:384 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:246 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:251 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:306 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:352 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 +#. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) +msgid " " +msgstr "" + +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:379 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:389 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #, fuzzy #| msgid "Strontium" msgid "Strong" msgstr "סטרונציום" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:529 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:542 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." msgstr "" diff --git a/i18n/hi.po b/i18n/hi.po index a5ad47840e..678cff795a 100644 --- a/i18n/hi.po +++ b/i18n/hi.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-23 23:03+0000\n" +"POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2016-06-10 06:33+0000\n" "Last-Translator: Rahul Krishna \n" "Language-Team: Hindi \n" @@ -27,7 +27,7 @@ msgstr "" msgid "No message specified." msgstr "" -#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:68 +#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " @@ -35,72 +35,72 @@ msgid "" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:205 -#: qtgui/interfacescript.cpp:301 +#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 +#: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." msgstr "" -#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:208 -#: qtgui/interfacescript.cpp:304 +#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 +#: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." msgstr "" -#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:324 +#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" -#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:326 +#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" msgstr "" -#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:330 +#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" -#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:363 +#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:369 +#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" -#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:375 +#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." msgstr "" -#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:379 +#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." msgstr "" -#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:390 +#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" -#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:395 +#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." msgstr "" -#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:406 +#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." msgstr "" -#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:410 +#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:454 +#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" @@ -121,7 +121,7 @@ msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" -#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:512 +#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" @@ -130,7 +130,7 @@ msgid "" "%3" msgstr "" -#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:521 +#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" @@ -487,7 +487,7 @@ msgstr "बोरॉन" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1747 +#: qtgui/elementtranslator.cpp:34:1750 msgid "Carbon" msgstr "कार्बन" @@ -569,13 +569,13 @@ msgstr "मैंगनीज़" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1750 +#: qtgui/elementtranslator.cpp:94:1753 msgid "Iron" msgstr "लोहा" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1753 +#: qtgui/elementtranslator.cpp:97:1756 msgid "Cobalt" msgstr "कोबॉल्ट" @@ -1017,18 +1017,18 @@ msgstr "" msgid "All supported formats" msgstr "" -#: qtgui/interfacescript.cpp:222 +#: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:492 +#: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:500 +#: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" @@ -1183,7 +1183,7 @@ msgstr "" msgid "Symmetry Elements" msgstr "" -#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:26 +#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" @@ -1291,7 +1291,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1567 +#: qtplugins/selectiontool/selectiontool.cpp:254:1567 msgid "Change Layer" msgstr "" @@ -1684,25 +1684,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:735 +#: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:737 +#: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:739 +#: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:741 +#: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1710,7 +1710,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:743 +#: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1718,7 +1718,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:745 +#: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1726,7 +1726,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:747 +#: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1734,7 +1734,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:749 +#: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1742,61 +1742,61 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:751 +#: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:181 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:186 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1827,7 +1827,7 @@ msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 @@ -2041,7 +2041,7 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:272 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 #: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 @@ -2253,12 +2253,12 @@ msgstr "" msgid "Edit Atomic Coordinates" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:261 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1675 msgid "Custom" msgstr "" @@ -2669,9 +2669,9 @@ msgstr "" msgid "Other…" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" @@ -2784,20 +2784,20 @@ msgstr "" msgid "&Calculate" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 msgid "Optimize Geometry" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:328 +#: qtplugins/forcefield/forcefield.cpp:329 #, qt-format msgid "%1 Energy = %L2" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 -#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 +#: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "" @@ -2828,17 +2828,17 @@ msgstr "" msgid "Merck Molecular Force Field 94" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:238 +#: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:248 +#: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:256 +#: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" @@ -3069,7 +3069,7 @@ msgstr "दूरी के अनुसार रंग" #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" @@ -3271,7 +3271,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3703,15 +3703,15 @@ msgctxt "frames per second" msgid " FPS" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 -#. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1675 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 +#. i18n: ectx: property (text), widget (QLabel, frameLabel) +#: qtplugins/playertool/playertool.cpp:113:1678 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 -#: qtplugins/surfaces/surfacedialog.cpp:219 +#: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" msgstr "" @@ -3737,7 +3737,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" msgstr "" @@ -3753,11 +3753,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "" -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4308,15 +4308,15 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1714 +#: qtplugins/select/select.h:30:1717 msgid "Select" msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:51 +#: qtplugins/selectiontool/selectiontool.cpp:50 msgid "Selection" msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:54 +#: qtplugins/selectiontool/selectiontool.cpp:53 msgid "" "Selection Tool\n" "\n" @@ -4327,7 +4327,7 @@ msgid "" "Double-Click: \tSelect an entire fragment." msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:236 +#: qtplugins/selectiontool/selectiontool.cpp:238 msgid "Paint Atoms" msgstr "" @@ -4347,7 +4347,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:68:1699 +#: qtplugins/spacegroup/spacegroup.cpp:68:1702 msgid "Symmetrize" msgstr "" @@ -4479,39 +4479,43 @@ msgstr "" msgid "Display spectra and vibrational modes." msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:27 +#: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:29 +#: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:156 +#: qtplugins/surfaces/surfacedialog.cpp:162 msgid "Molecular Orbital" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:158 +#: qtplugins/surfaces/surfacedialog.cpp:165 msgid "Electron Density" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:177 +#: qtplugins/surfaces/surfacedialog.cpp:172 +msgid "Spin Density" +msgstr "" + +#: qtplugins/surfaces/surfacedialog.cpp:184 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:179 +#: qtplugins/surfaces/surfacedialog.cpp:186 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:181 +#: qtplugins/surfaces/surfacedialog.cpp:188 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:196 +#: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" msgstr "" @@ -4551,28 +4555,28 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:568 +#: qtplugins/surfaces/surfaces.cpp:571 msgid "Calculating electron density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:577 +#: qtplugins/surfaces/surfaces.cpp:580 msgid "Calculating spin density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:586 +#: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 +#: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:837 msgid "Export Movie" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:835 +#: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4610,7 +4614,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1684 +#: qtplugins/symmetry/symmetry.h:34:1687 msgid "Symmetry" msgstr "" @@ -6949,68 +6953,73 @@ msgstr "" msgid "Electrostatic Potential" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:209 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:231 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:236 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:241 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:367 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:384 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:246 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:251 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:306 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:352 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 +#. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) +msgid " " +msgstr "" + +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:379 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:389 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #, fuzzy #| msgid "Strontium" msgid "Strong" msgstr "स्ट्रांशियम" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:529 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:542 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." msgstr "" diff --git a/i18n/hr.po b/i18n/hr.po index 3de2b8f0cd..8d1ed84522 100644 --- a/i18n/hr.po +++ b/i18n/hr.po @@ -6,7 +6,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-23 23:03+0000\n" +"POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-09-26 15:02+0000\n" "Last-Translator: Milo Ivir \n" "Language-Team: Croatian \n" "Language-Team: Hungarian \n" "Language-Team: Indonesian \n" "Language-Team: Italian \n" "Language-Team: Japanese \n" "Language-Team: Georgian \n" "Language-Team: Kannada \n" "Language-Team: Korean \n" "Language-Team: Malay \n" "Language-Team: Norwegian Bokmål \n" "Language-Team: Dutch \n" "Language-Team: Occitan (post 1500) \n" @@ -27,7 +27,7 @@ msgstr "" msgid "No message specified." msgstr "" -#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:68 +#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " @@ -35,72 +35,72 @@ msgid "" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:205 -#: qtgui/interfacescript.cpp:301 +#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 +#: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." msgstr "" -#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:208 -#: qtgui/interfacescript.cpp:304 +#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 +#: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." msgstr "" -#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:324 +#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" -#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:326 +#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" msgstr "" -#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:330 +#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" -#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:363 +#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:369 +#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" -#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:375 +#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." msgstr "" -#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:379 +#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." msgstr "" -#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:390 +#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" -#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:395 +#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." msgstr "" -#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:406 +#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." msgstr "" -#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:410 +#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:454 +#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" @@ -121,7 +121,7 @@ msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" -#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:512 +#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" @@ -130,7 +130,7 @@ msgid "" "%3" msgstr "" -#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:521 +#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" @@ -487,7 +487,7 @@ msgstr "Boròni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1747 +#: qtgui/elementtranslator.cpp:34:1750 msgid "Carbon" msgstr "Carbòni" @@ -569,13 +569,13 @@ msgstr "Manganès" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1750 +#: qtgui/elementtranslator.cpp:94:1753 msgid "Iron" msgstr "Fèrre" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1753 +#: qtgui/elementtranslator.cpp:97:1756 msgid "Cobalt" msgstr "Cobalt" @@ -1019,18 +1019,18 @@ msgstr "Totes los fichièrs" msgid "All supported formats" msgstr "" -#: qtgui/interfacescript.cpp:222 +#: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:492 +#: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:500 +#: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" @@ -1191,7 +1191,7 @@ msgstr "" msgid "Symmetry Elements" msgstr "" -#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:26 +#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" @@ -1301,7 +1301,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1567 +#: qtplugins/selectiontool/selectiontool.cpp:254:1567 #, fuzzy msgid "Change Layer" msgstr "Modificar l'òrdre de las ligasons" @@ -1719,25 +1719,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:735 +#: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:737 +#: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:739 +#: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:741 +#: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1745,7 +1745,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:743 +#: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1753,7 +1753,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:745 +#: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1761,7 +1761,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:747 +#: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1769,7 +1769,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:749 +#: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1777,19 +1777,19 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:751 +#: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:181 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 #, fuzzy #| msgid "Neutral" msgctxt "colormap" @@ -1798,20 +1798,20 @@ msgstr "Mejan" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1820,22 +1820,22 @@ msgstr "Anullar" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:186 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1870,7 +1870,7 @@ msgstr "Causir la color..." #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 @@ -2103,7 +2103,7 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:272 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 #: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 @@ -2326,12 +2326,12 @@ msgstr "" msgid "Edit Atomic Coordinates" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:261 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1675 msgid "Custom" msgstr "Personalizar" @@ -2753,9 +2753,9 @@ msgstr "" msgid "Other…" msgstr "Divèrs" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" @@ -2880,21 +2880,21 @@ msgstr "Suprimir un atòm" msgid "&Calculate" msgstr "Calcular" -#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 msgid "Optimize Geometry" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:328 +#: qtplugins/forcefield/forcefield.cpp:329 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energia = %L1 %2" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 -#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 +#: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" @@ -2928,17 +2928,17 @@ msgstr "" msgid "Merck Molecular Force Field 94" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:238 +#: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:248 +#: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:256 +#: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" @@ -3188,7 +3188,7 @@ msgstr "Distància" #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" @@ -3402,7 +3402,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3851,16 +3851,16 @@ msgctxt "frames per second" msgid " FPS" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 -#. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1675 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 +#. i18n: ectx: property (text), widget (QLabel, frameLabel) +#: qtplugins/playertool/playertool.cpp:113:1678 #, fuzzy msgid "Frame:" msgstr "Paramètres :" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 -#: qtplugins/surfaces/surfacedialog.cpp:219 +#: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" msgstr "" @@ -3886,7 +3886,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" msgstr "" @@ -3903,11 +3903,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "fichièrs vidèo (*.avi)" -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4517,16 +4517,16 @@ msgstr "Seleccionar per residú..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1714 +#: qtplugins/select/select.h:30:1717 #, fuzzy msgid "Select" msgstr "&Seleccionar" -#: qtplugins/selectiontool/selectiontool.cpp:51 +#: qtplugins/selectiontool/selectiontool.cpp:50 msgid "Selection" msgstr "Seleccion" -#: qtplugins/selectiontool/selectiontool.cpp:54 +#: qtplugins/selectiontool/selectiontool.cpp:53 msgid "" "Selection Tool\n" "\n" @@ -4537,7 +4537,7 @@ msgid "" "Double-Click: \tSelect an entire fragment." msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:236 +#: qtplugins/selectiontool/selectiontool.cpp:238 #, fuzzy msgid "Paint Atoms" msgstr "Atòm de despart" @@ -4558,7 +4558,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:68:1699 +#: qtplugins/spacegroup/spacegroup.cpp:68:1702 msgid "Symmetrize" msgstr "" @@ -4693,42 +4693,48 @@ msgstr "" msgid "Display spectra and vibrational modes." msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:27 +#: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:29 +#: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:156 +#: qtplugins/surfaces/surfacedialog.cpp:162 #, fuzzy msgid "Molecular Orbital" msgstr "Orbitala moleculara" -#: qtplugins/surfaces/surfacedialog.cpp:158 +#: qtplugins/surfaces/surfacedialog.cpp:165 msgid "Electron Density" msgstr "Densitat electronica" -#: qtplugins/surfaces/surfacedialog.cpp:177 +#: qtplugins/surfaces/surfacedialog.cpp:172 +#, fuzzy +#| msgid "Intensity" +msgid "Spin Density" +msgstr "Fondut d'intensitat" + +#: qtplugins/surfaces/surfacedialog.cpp:184 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "OM %L1" -#: qtplugins/surfaces/surfacedialog.cpp:179 +#: qtplugins/surfaces/surfacedialog.cpp:186 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "HOMO" -#: qtplugins/surfaces/surfacedialog.cpp:181 +#: qtplugins/surfaces/surfacedialog.cpp:188 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "LUMO" -#: qtplugins/surfaces/surfacedialog.cpp:196 +#: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" msgstr "" @@ -4772,31 +4778,31 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:568 +#: qtplugins/surfaces/surfaces.cpp:571 #, fuzzy msgid "Calculating electron density" msgstr "Calcul de la densitat electronica en cors" -#: qtplugins/surfaces/surfaces.cpp:577 +#: qtplugins/surfaces/surfaces.cpp:580 #, fuzzy msgid "Calculating spin density" msgstr "Calcul de la densitat electronica en cors" -#: qtplugins/surfaces/surfaces.cpp:586 +#: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 +#: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:837 #, fuzzy msgid "Export Movie" msgstr "E&xportar l'imatge" -#: qtplugins/surfaces/surfaces.cpp:835 +#: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4834,7 +4840,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1684 +#: qtplugins/symmetry/symmetry.h:34:1687 msgid "Symmetry" msgstr "" @@ -7222,71 +7228,78 @@ msgstr "Color :" msgid "Electrostatic Potential" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:209 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolucion :" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:231 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:236 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Febla" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:241 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:367 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:384 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Mejana" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:246 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Elevada" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:251 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Fòrça elevada" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:306 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Valor iso :" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:352 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 +#. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) +#, fuzzy +#| msgid " K" +msgid " " +msgstr " K" + +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy #| msgid "Nothing" msgid "Smoothing:" msgstr "Pas res" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:379 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Clar" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:389 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #, fuzzy #| msgid "Strontium" msgid "Strong" msgstr "Estronci" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:529 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcular" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:542 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." msgstr "" @@ -8065,9 +8078,6 @@ msgstr "" #~ msgid "Activity" #~ msgstr "Activitat" -#~ msgid "Intensity" -#~ msgstr "Fondut d'intensitat" - #~ msgid "X Axis" #~ msgstr "Axe X" diff --git a/i18n/pl.po b/i18n/pl.po index b6b3acc5b6..e238aa59e2 100644 --- a/i18n/pl.po +++ b/i18n/pl.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-23 23:03+0000\n" +"POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-06-20 10:49+0000\n" "Last-Translator: Jakub Brzeski \n" "Language-Team: Polish \n" "Language-Team: Portuguese \n" "Language-Team: Portuguese (Brazil) \n" "Language-Team: Romanian \n" "Language-Team: Russian \n" "Language-Team: Sanskrit \n" "Language-Team: Slovak \n" @@ -27,7 +27,7 @@ msgstr "" msgid "No message specified." msgstr "" -#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:68 +#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " @@ -35,72 +35,72 @@ msgid "" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:205 -#: qtgui/interfacescript.cpp:301 +#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 +#: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." msgstr "" -#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:208 -#: qtgui/interfacescript.cpp:304 +#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 +#: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." msgstr "" -#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:324 +#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" -#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:326 +#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" msgstr "" -#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:330 +#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" -#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:363 +#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:369 +#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" -#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:375 +#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." msgstr "" -#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:379 +#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." msgstr "" -#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:390 +#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" -#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:395 +#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." msgstr "" -#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:406 +#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." msgstr "" -#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:410 +#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:454 +#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" @@ -121,7 +121,7 @@ msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" -#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:512 +#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" @@ -130,7 +130,7 @@ msgid "" "%3" msgstr "" -#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:521 +#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" @@ -487,7 +487,7 @@ msgstr "Bór" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1747 +#: qtgui/elementtranslator.cpp:34:1750 msgid "Carbon" msgstr "Uhlík" @@ -569,13 +569,13 @@ msgstr "Mangán" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1750 +#: qtgui/elementtranslator.cpp:94:1753 msgid "Iron" msgstr "Železo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1753 +#: qtgui/elementtranslator.cpp:97:1756 msgid "Cobalt" msgstr "Kobalt" @@ -1019,18 +1019,18 @@ msgstr "Všetky súbory" msgid "All supported formats" msgstr "" -#: qtgui/interfacescript.cpp:222 +#: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:492 +#: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:500 +#: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" @@ -1189,7 +1189,7 @@ msgstr "" msgid "Symmetry Elements" msgstr "" -#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:26 +#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" @@ -1300,7 +1300,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1567 +#: qtplugins/selectiontool/selectiontool.cpp:254:1567 #, fuzzy msgid "Change Layer" msgstr "Zmeniť Prvok" @@ -1714,25 +1714,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:735 +#: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:737 +#: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:739 +#: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:741 +#: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1740,7 +1740,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:743 +#: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1748,7 +1748,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:745 +#: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1756,7 +1756,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:747 +#: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1764,7 +1764,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:749 +#: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1772,19 +1772,19 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:751 +#: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:181 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 #, fuzzy #| msgid "Neutral" msgctxt "colormap" @@ -1793,20 +1793,20 @@ msgstr "Neutrálny" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1815,22 +1815,22 @@ msgstr "Zrušiť" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:186 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1865,7 +1865,7 @@ msgstr "Vybrané Farby" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 @@ -2096,7 +2096,7 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:272 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 #: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 @@ -2325,12 +2325,12 @@ msgstr "" msgid "Edit Atomic Coordinates" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:261 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1675 msgid "Custom" msgstr "" @@ -2747,9 +2747,9 @@ msgstr "" msgid "Other…" msgstr "Ďaľšie..." -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" @@ -2874,20 +2874,20 @@ msgstr "Fixovať vybrané atómy" msgid "&Calculate" msgstr "Vypočítať" -#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 msgid "Optimize Geometry" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:328 +#: qtplugins/forcefield/forcefield.cpp:329 #, qt-format msgid "%1 Energy = %L2" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 -#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 +#: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" @@ -2924,17 +2924,17 @@ msgstr "" msgid "Merck Molecular Force Field 94" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:238 +#: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:248 +#: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:256 +#: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" @@ -3183,7 +3183,7 @@ msgstr "Vzdialenosť" #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" @@ -3399,7 +3399,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 #, fuzzy msgid "&Analysis" msgstr "Analytický" @@ -3854,16 +3854,16 @@ msgctxt "frames per second" msgid " FPS" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 -#. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1675 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 +#. i18n: ectx: property (text), widget (QLabel, frameLabel) +#: qtplugins/playertool/playertool.cpp:113:1678 #, fuzzy msgid "Frame:" msgstr "Názov zvyškov" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 -#: qtplugins/surfaces/surfacedialog.cpp:219 +#: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" msgstr "" @@ -3889,7 +3889,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" msgstr "" @@ -3906,11 +3906,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "video súbory (*.avi)" -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4515,16 +4515,16 @@ msgstr "Vybrať podľa Zvyšku..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1714 +#: qtplugins/select/select.h:30:1717 #, fuzzy msgid "Select" msgstr "&Výber" -#: qtplugins/selectiontool/selectiontool.cpp:51 +#: qtplugins/selectiontool/selectiontool.cpp:50 msgid "Selection" msgstr "Výber" -#: qtplugins/selectiontool/selectiontool.cpp:54 +#: qtplugins/selectiontool/selectiontool.cpp:53 msgid "" "Selection Tool\n" "\n" @@ -4535,7 +4535,7 @@ msgid "" "Double-Click: \tSelect an entire fragment." msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:236 +#: qtplugins/selectiontool/selectiontool.cpp:238 #, fuzzy msgid "Paint Atoms" msgstr "Spustiť &animáciu" @@ -4556,7 +4556,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:68:1699 +#: qtplugins/spacegroup/spacegroup.cpp:68:1702 msgid "Symmetrize" msgstr "" @@ -4691,40 +4691,46 @@ msgstr "" msgid "Display spectra and vibrational modes." msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:27 +#: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:29 +#: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:156 +#: qtplugins/surfaces/surfacedialog.cpp:162 #, fuzzy msgid "Molecular Orbital" msgstr "Vlastnosti molekuly" -#: qtplugins/surfaces/surfacedialog.cpp:158 +#: qtplugins/surfaces/surfacedialog.cpp:165 msgid "Electron Density" msgstr "Elektrónová hustota" -#: qtplugins/surfaces/surfacedialog.cpp:177 +#: qtplugins/surfaces/surfacedialog.cpp:172 +#, fuzzy +#| msgid "Electron Density" +msgid "Spin Density" +msgstr "Elektrónová hustota" + +#: qtplugins/surfaces/surfacedialog.cpp:184 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" -#: qtplugins/surfaces/surfacedialog.cpp:179 +#: qtplugins/surfaces/surfacedialog.cpp:186 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:181 +#: qtplugins/surfaces/surfacedialog.cpp:188 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:196 +#: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" msgstr "" @@ -4772,31 +4778,31 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:568 +#: qtplugins/surfaces/surfaces.cpp:571 #, fuzzy msgid "Calculating electron density" msgstr "Prebieha výpočet elektrónovej hustoty" -#: qtplugins/surfaces/surfaces.cpp:577 +#: qtplugins/surfaces/surfaces.cpp:580 #, fuzzy msgid "Calculating spin density" msgstr "Prebieha výpočet elektrónovej hustoty" -#: qtplugins/surfaces/surfaces.cpp:586 +#: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 +#: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:837 #, fuzzy msgid "Export Movie" msgstr "E&xport Obrázku" -#: qtplugins/surfaces/surfaces.cpp:835 +#: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4834,7 +4840,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1684 +#: qtplugins/symmetry/symmetry.h:34:1687 msgid "Symmetry" msgstr "" @@ -7211,68 +7217,75 @@ msgstr "Farba:" msgid "Electrostatic Potential" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:209 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:231 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:236 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:241 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:367 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:384 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:246 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:251 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:306 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:352 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 +#. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) +#, fuzzy +#| msgid " (" +msgid " " +msgstr " (" + +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:379 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Svetlý" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:389 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #, fuzzy #| msgid "Strontium" msgid "Strong" msgstr "Stroncium" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:529 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Vypočítať" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:542 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." msgstr "" @@ -8110,9 +8123,6 @@ msgstr "" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES Konverzia formátu nie je k dispozícii!" -#~ msgid " (" -#~ msgstr " (" - #~ msgid "efp" #~ msgstr "efp" diff --git a/i18n/sl.po b/i18n/sl.po index 8f3b98728c..81a51bc73e 100644 --- a/i18n/sl.po +++ b/i18n/sl.po @@ -8,7 +8,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-23 23:03+0000\n" +"POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2016-06-10 06:51+0000\n" "Last-Translator: Matej Urbančič \n" "Language-Team: Slovenian \n" @@ -31,7 +31,7 @@ msgstr "" msgid "No message specified." msgstr "" -#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:68 +#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " @@ -39,72 +39,72 @@ msgid "" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:205 -#: qtgui/interfacescript.cpp:301 +#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 +#: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." msgstr "" -#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:208 -#: qtgui/interfacescript.cpp:304 +#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 +#: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." msgstr "" -#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:324 +#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" -#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:326 +#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" msgstr "" -#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:330 +#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" -#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:363 +#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:369 +#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" -#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:375 +#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." msgstr "" -#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:379 +#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." msgstr "" -#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:390 +#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" -#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:395 +#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." msgstr "" -#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:406 +#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." msgstr "" -#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:410 +#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:454 +#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" @@ -125,7 +125,7 @@ msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" -#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:512 +#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" @@ -134,7 +134,7 @@ msgid "" "%3" msgstr "" -#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:521 +#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" @@ -491,7 +491,7 @@ msgstr "bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1747 +#: qtgui/elementtranslator.cpp:34:1750 msgid "Carbon" msgstr "ogljik" @@ -573,13 +573,13 @@ msgstr "mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1750 +#: qtgui/elementtranslator.cpp:94:1753 msgid "Iron" msgstr "železo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1753 +#: qtgui/elementtranslator.cpp:97:1756 msgid "Cobalt" msgstr "kobalt" @@ -1024,18 +1024,18 @@ msgstr "Vse Datoteke" msgid "All supported formats" msgstr "" -#: qtgui/interfacescript.cpp:222 +#: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:492 +#: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:500 +#: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" @@ -1198,7 +1198,7 @@ msgstr "QTAIM" msgid "Symmetry Elements" msgstr "" -#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:26 +#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waalsovi radii" @@ -1308,7 +1308,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1567 +#: qtplugins/selectiontool/selectiontool.cpp:254:1567 #, fuzzy msgid "Change Layer" msgstr "Spremeni vrsto vezi" @@ -1744,25 +1744,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:735 +#: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:737 +#: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:739 +#: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:741 +#: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1770,7 +1770,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:743 +#: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1778,7 +1778,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:745 +#: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1786,7 +1786,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:747 +#: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1794,7 +1794,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:749 +#: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1802,19 +1802,19 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:751 +#: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:181 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 #, fuzzy #| msgid "Spectra" msgctxt "colormap" @@ -1823,20 +1823,20 @@ msgstr "Spektri" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1845,22 +1845,22 @@ msgstr "Prekliči" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:186 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1895,7 +1895,7 @@ msgstr "Izbrane barve" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 @@ -2152,7 +2152,7 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:272 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 #: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 @@ -2382,12 +2382,12 @@ msgstr "" msgid "Edit Atomic Coordinates" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:261 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1675 msgid "Custom" msgstr "Po meri" @@ -2836,9 +2836,9 @@ msgstr "" msgid "Other…" msgstr "Drugo" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" @@ -2966,22 +2966,22 @@ msgstr "Popravi izbrane atome" msgid "&Calculate" msgstr "Izračunaj" -#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 #, fuzzy msgid "Optimize Geometry" msgstr "&Prilagodi geometrijo" -#: qtplugins/forcefield/forcefield.cpp:328 +#: qtplugins/forcefield/forcefield.cpp:329 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energija = %L1 %2" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 -#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 +#: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "Avogadro" @@ -3018,17 +3018,17 @@ msgstr "" msgid "Merck Molecular Force Field 94" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:238 +#: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:248 +#: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:256 +#: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" @@ -3277,7 +3277,7 @@ msgstr "Razdalja" #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" @@ -3526,7 +3526,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 #, fuzzy msgid "&Analysis" msgstr "Analitično" @@ -3997,16 +3997,16 @@ msgctxt "frames per second" msgid " FPS" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 -#. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1675 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 +#. i18n: ectx: property (text), widget (QLabel, frameLabel) +#: qtplugins/playertool/playertool.cpp:113:1678 #, fuzzy msgid "Frame:" msgstr "Sličice" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 -#: qtplugins/surfaces/surfacedialog.cpp:219 +#: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" msgstr "" @@ -4033,7 +4033,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" msgstr "" @@ -4050,11 +4050,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "datoteke posnetkov (*.avi)" -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4666,12 +4666,12 @@ msgstr "Izbor po ostanku ..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1714 +#: qtplugins/select/select.h:30:1717 #, fuzzy msgid "Select" msgstr "&Izberi" -#: qtplugins/selectiontool/selectiontool.cpp:51 +#: qtplugins/selectiontool/selectiontool.cpp:50 msgid "Selection" msgstr "Izbor" @@ -4681,7 +4681,7 @@ msgstr "Izbor" # Srednji gumb miške: S klikom se predmet približa ali oddalji.\n # Desni gumb miške: \tS klikom je mogoče povleči im premakniti pogled.\n # Dvojni klik: \tPonastavi pogled. -#: qtplugins/selectiontool/selectiontool.cpp:54 +#: qtplugins/selectiontool/selectiontool.cpp:53 #, fuzzy #| msgid "" #| "Selection Tool (F11)\n" @@ -4710,7 +4710,7 @@ msgstr "" "izbiri.\n" "Dvojni klik: \tIzbor celotnega molekulskega delca." -#: qtplugins/selectiontool/selectiontool.cpp:236 +#: qtplugins/selectiontool/selectiontool.cpp:238 #, fuzzy msgid "Paint Atoms" msgstr "Začetni atom" @@ -4733,7 +4733,7 @@ msgstr "Zaznaj prostorsko skupino" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:68:1699 +#: qtplugins/spacegroup/spacegroup.cpp:68:1702 msgid "Symmetrize" msgstr "" @@ -4879,42 +4879,48 @@ msgstr "" msgid "Display spectra and vibrational modes." msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:27 +#: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:29 +#: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:156 +#: qtplugins/surfaces/surfacedialog.cpp:162 #, fuzzy msgid "Molecular Orbital" msgstr "Molekulska orbitala" -#: qtplugins/surfaces/surfacedialog.cpp:158 +#: qtplugins/surfaces/surfacedialog.cpp:165 msgid "Electron Density" msgstr "Elektronska gostota" -#: qtplugins/surfaces/surfacedialog.cpp:177 +#: qtplugins/surfaces/surfacedialog.cpp:172 +#, fuzzy +#| msgid "Intensity" +msgid "Spin Density" +msgstr "Intenziteta" + +#: qtplugins/surfaces/surfacedialog.cpp:184 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" -#: qtplugins/surfaces/surfacedialog.cpp:179 +#: qtplugins/surfaces/surfacedialog.cpp:186 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" -#: qtplugins/surfaces/surfacedialog.cpp:181 +#: qtplugins/surfaces/surfacedialog.cpp:188 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" -#: qtplugins/surfaces/surfacedialog.cpp:196 +#: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" msgstr "" @@ -4962,31 +4968,31 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:568 +#: qtplugins/surfaces/surfaces.cpp:571 #, fuzzy msgid "Calculating electron density" msgstr "Izračunavanje elektronske gostote" -#: qtplugins/surfaces/surfaces.cpp:577 +#: qtplugins/surfaces/surfaces.cpp:580 #, fuzzy msgid "Calculating spin density" msgstr "Izračunavanje elektronske gostote" -#: qtplugins/surfaces/surfaces.cpp:586 +#: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 +#: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:837 #, fuzzy msgid "Export Movie" msgstr "&Izvozi sliko" -#: qtplugins/surfaces/surfaces.cpp:835 +#: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -5026,7 +5032,7 @@ msgstr "Simetrija" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1684 +#: qtplugins/symmetry/symmetry.h:34:1687 msgid "Symmetry" msgstr "Simetrija" @@ -7412,71 +7418,78 @@ msgstr "Barva:" msgid "Electrostatic Potential" msgstr "Elektrostatski potencial" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:209 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Ločljivost:" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:231 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:236 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Nizka" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:241 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:367 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:384 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Srednja" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:246 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Visoka" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:251 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Zelo visoka" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:306 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Vrednost &izo-površine:" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:352 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 +#. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) +#, fuzzy +#| msgid " K" +msgid " " +msgstr " K" + +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy #| msgid "Nothing" msgid "Smoothing:" msgstr "Brez" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:379 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Svetla" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:389 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #, fuzzy #| msgid "Strontium" msgid "Strong" msgstr "stroncij" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:529 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Izračunaj" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:542 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." msgstr "" @@ -9205,9 +9218,6 @@ msgstr "" #~ msgid "Activity" #~ msgstr "Aktivnost" -#~ msgid "Intensity" -#~ msgstr "Intenziteta" - #~ msgid "X Axis" #~ msgstr "Os X" diff --git a/i18n/sq.po b/i18n/sq.po index afc896d836..2b9fd4365d 100644 --- a/i18n/sq.po +++ b/i18n/sq.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-23 23:03+0000\n" +"POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2021-06-16 17:34+0000\n" "Last-Translator: Dillon Schultz \n" "Language-Team: Albanian \n" "Language-Team: Serbian \n" "Language-Team: Swedish \n" @@ -27,7 +27,7 @@ msgstr "" msgid "No message specified." msgstr "" -#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:68 +#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " @@ -35,72 +35,72 @@ msgid "" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:205 -#: qtgui/interfacescript.cpp:301 +#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 +#: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." msgstr "" -#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:208 -#: qtgui/interfacescript.cpp:304 +#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 +#: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." msgstr "" -#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:324 +#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" -#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:326 +#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" msgstr "" -#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:330 +#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" -#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:363 +#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:369 +#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" -#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:375 +#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." msgstr "" -#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:379 +#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." msgstr "" -#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:390 +#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" -#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:395 +#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." msgstr "" -#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:406 +#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." msgstr "" -#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:410 +#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:454 +#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" @@ -121,7 +121,7 @@ msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" -#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:512 +#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" @@ -130,7 +130,7 @@ msgid "" "%3" msgstr "" -#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:521 +#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" @@ -487,7 +487,7 @@ msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1747 +#: qtgui/elementtranslator.cpp:34:1750 msgid "Carbon" msgstr "Kol" @@ -569,13 +569,13 @@ msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1750 +#: qtgui/elementtranslator.cpp:94:1753 msgid "Iron" msgstr "Järn" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1753 +#: qtgui/elementtranslator.cpp:97:1756 msgid "Cobalt" msgstr "Kobolt" @@ -1017,18 +1017,18 @@ msgstr "" msgid "All supported formats" msgstr "" -#: qtgui/interfacescript.cpp:222 +#: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:492 +#: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:500 +#: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" @@ -1185,7 +1185,7 @@ msgstr "" msgid "Symmetry Elements" msgstr "" -#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:26 +#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" @@ -1295,7 +1295,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1567 +#: qtplugins/selectiontool/selectiontool.cpp:254:1567 msgid "Change Layer" msgstr "" @@ -1699,25 +1699,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:735 +#: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:737 +#: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:739 +#: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:741 +#: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1725,7 +1725,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:743 +#: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1733,7 +1733,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:745 +#: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1741,7 +1741,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:747 +#: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1749,7 +1749,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:749 +#: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1757,61 +1757,61 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:751 +#: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:181 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:186 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1843,7 +1843,7 @@ msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 @@ -2064,7 +2064,7 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:272 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 #: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 @@ -2278,12 +2278,12 @@ msgstr "" msgid "Edit Atomic Coordinates" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:261 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1675 msgid "Custom" msgstr "" @@ -2698,9 +2698,9 @@ msgstr "" msgid "Other…" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" @@ -2818,21 +2818,21 @@ msgstr "Animering..." msgid "&Calculate" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 #, fuzzy msgid "Optimize Geometry" msgstr "&Optimera geometri" -#: qtplugins/forcefield/forcefield.cpp:328 +#: qtplugins/forcefield/forcefield.cpp:329 #, qt-format msgid "%1 Energy = %L2" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 -#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 +#: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "" @@ -2865,17 +2865,17 @@ msgstr "" msgid "Merck Molecular Force Field 94" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:238 +#: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:248 +#: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:256 +#: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" @@ -3116,7 +3116,7 @@ msgstr "Avstånd:" #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" @@ -3325,7 +3325,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3771,15 +3771,15 @@ msgctxt "frames per second" msgid " FPS" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 -#. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1675 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 +#. i18n: ectx: property (text), widget (QLabel, frameLabel) +#: qtplugins/playertool/playertool.cpp:113:1678 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 -#: qtplugins/surfaces/surfacedialog.cpp:219 +#: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" msgstr "" @@ -3805,7 +3805,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" msgstr "" @@ -3821,11 +3821,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "" -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4412,15 +4412,15 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1714 +#: qtplugins/select/select.h:30:1717 msgid "Select" msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:51 +#: qtplugins/selectiontool/selectiontool.cpp:50 msgid "Selection" msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:54 +#: qtplugins/selectiontool/selectiontool.cpp:53 msgid "" "Selection Tool\n" "\n" @@ -4431,7 +4431,7 @@ msgid "" "Double-Click: \tSelect an entire fragment." msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:236 +#: qtplugins/selectiontool/selectiontool.cpp:238 #, fuzzy msgid "Paint Atoms" msgstr "Animering..." @@ -4452,7 +4452,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:68:1699 +#: qtplugins/spacegroup/spacegroup.cpp:68:1702 msgid "Symmetrize" msgstr "" @@ -4584,40 +4584,44 @@ msgstr "" msgid "Display spectra and vibrational modes." msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:27 +#: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:29 +#: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:156 +#: qtplugins/surfaces/surfacedialog.cpp:162 #, fuzzy msgid "Molecular Orbital" msgstr "Molekyldynamik (300 K)" -#: qtplugins/surfaces/surfacedialog.cpp:158 +#: qtplugins/surfaces/surfacedialog.cpp:165 msgid "Electron Density" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:177 +#: qtplugins/surfaces/surfacedialog.cpp:172 +msgid "Spin Density" +msgstr "" + +#: qtplugins/surfaces/surfacedialog.cpp:184 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:179 +#: qtplugins/surfaces/surfacedialog.cpp:186 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:181 +#: qtplugins/surfaces/surfacedialog.cpp:188 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:196 +#: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" msgstr "" @@ -4662,29 +4666,29 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:568 +#: qtplugins/surfaces/surfaces.cpp:571 msgid "Calculating electron density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:577 +#: qtplugins/surfaces/surfaces.cpp:580 msgid "Calculating spin density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:586 +#: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 +#: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:837 #, fuzzy msgid "Export Movie" msgstr "Exportera" -#: qtplugins/surfaces/surfaces.cpp:835 +#: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4722,7 +4726,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1684 +#: qtplugins/symmetry/symmetry.h:34:1687 msgid "Symmetry" msgstr "" @@ -7077,68 +7081,73 @@ msgstr "" msgid "Electrostatic Potential" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:209 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:231 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:236 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:241 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:367 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:384 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:246 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:251 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:306 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:352 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 +#. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) +msgid " " +msgstr "" + +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:379 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:389 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #, fuzzy #| msgid "Strontium" msgid "Strong" msgstr "Strontium" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:529 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:542 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." msgstr "" diff --git a/i18n/ta.po b/i18n/ta.po index 20af5d9bc7..dc811fee0f 100644 --- a/i18n/ta.po +++ b/i18n/ta.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-23 23:03+0000\n" +"POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: Automatically generated\n" "Language-Team: none\n" @@ -26,7 +26,7 @@ msgstr "" msgid "No message specified." msgstr "" -#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:68 +#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " @@ -34,72 +34,72 @@ msgid "" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:205 -#: qtgui/interfacescript.cpp:301 +#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 +#: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." msgstr "" -#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:208 -#: qtgui/interfacescript.cpp:304 +#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 +#: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." msgstr "" -#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:324 +#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" -#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:326 +#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" msgstr "" -#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:330 +#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" -#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:363 +#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:369 +#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" -#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:375 +#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." msgstr "" -#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:379 +#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." msgstr "" -#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:390 +#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" -#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:395 +#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." msgstr "" -#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:406 +#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." msgstr "" -#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:410 +#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:454 +#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" @@ -120,7 +120,7 @@ msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" -#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:512 +#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" @@ -129,7 +129,7 @@ msgid "" "%3" msgstr "" -#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:521 +#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" @@ -486,7 +486,7 @@ msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1747 +#: qtgui/elementtranslator.cpp:34:1750 msgid "Carbon" msgstr "" @@ -568,13 +568,13 @@ msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1750 +#: qtgui/elementtranslator.cpp:94:1753 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1753 +#: qtgui/elementtranslator.cpp:97:1756 msgid "Cobalt" msgstr "" @@ -1016,18 +1016,18 @@ msgstr "" msgid "All supported formats" msgstr "" -#: qtgui/interfacescript.cpp:222 +#: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:492 +#: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:500 +#: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" @@ -1182,7 +1182,7 @@ msgstr "" msgid "Symmetry Elements" msgstr "" -#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:26 +#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" @@ -1288,7 +1288,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1567 +#: qtplugins/selectiontool/selectiontool.cpp:254:1567 msgid "Change Layer" msgstr "" @@ -1678,25 +1678,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:735 +#: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:737 +#: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:739 +#: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:741 +#: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1704,7 +1704,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:743 +#: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1712,7 +1712,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:745 +#: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1720,7 +1720,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:747 +#: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1728,7 +1728,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:749 +#: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1736,61 +1736,61 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:751 +#: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:181 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:186 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1821,7 +1821,7 @@ msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 @@ -2034,7 +2034,7 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:272 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 #: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 @@ -2245,12 +2245,12 @@ msgstr "" msgid "Edit Atomic Coordinates" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:261 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1675 msgid "Custom" msgstr "" @@ -2660,9 +2660,9 @@ msgstr "" msgid "Other…" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" @@ -2775,20 +2775,20 @@ msgstr "" msgid "&Calculate" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 msgid "Optimize Geometry" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:328 +#: qtplugins/forcefield/forcefield.cpp:329 #, qt-format msgid "%1 Energy = %L2" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 -#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 +#: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "" @@ -2819,17 +2819,17 @@ msgstr "" msgid "Merck Molecular Force Field 94" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:238 +#: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:248 +#: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:256 +#: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" @@ -3057,7 +3057,7 @@ msgstr "" #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" @@ -3259,7 +3259,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3687,15 +3687,15 @@ msgctxt "frames per second" msgid " FPS" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 -#. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1675 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 +#. i18n: ectx: property (text), widget (QLabel, frameLabel) +#: qtplugins/playertool/playertool.cpp:113:1678 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 -#: qtplugins/surfaces/surfacedialog.cpp:219 +#: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" msgstr "" @@ -3721,7 +3721,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" msgstr "" @@ -3737,11 +3737,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "" -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4287,15 +4287,15 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1714 +#: qtplugins/select/select.h:30:1717 msgid "Select" msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:51 +#: qtplugins/selectiontool/selectiontool.cpp:50 msgid "Selection" msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:54 +#: qtplugins/selectiontool/selectiontool.cpp:53 msgid "" "Selection Tool\n" "\n" @@ -4306,7 +4306,7 @@ msgid "" "Double-Click: \tSelect an entire fragment." msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:236 +#: qtplugins/selectiontool/selectiontool.cpp:238 msgid "Paint Atoms" msgstr "" @@ -4325,7 +4325,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:68:1699 +#: qtplugins/spacegroup/spacegroup.cpp:68:1702 msgid "Symmetrize" msgstr "" @@ -4457,39 +4457,43 @@ msgstr "" msgid "Display spectra and vibrational modes." msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:27 +#: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:29 +#: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:156 +#: qtplugins/surfaces/surfacedialog.cpp:162 msgid "Molecular Orbital" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:158 +#: qtplugins/surfaces/surfacedialog.cpp:165 msgid "Electron Density" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:177 +#: qtplugins/surfaces/surfacedialog.cpp:172 +msgid "Spin Density" +msgstr "" + +#: qtplugins/surfaces/surfacedialog.cpp:184 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:179 +#: qtplugins/surfaces/surfacedialog.cpp:186 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:181 +#: qtplugins/surfaces/surfacedialog.cpp:188 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:196 +#: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" msgstr "" @@ -4529,28 +4533,28 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:568 +#: qtplugins/surfaces/surfaces.cpp:571 msgid "Calculating electron density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:577 +#: qtplugins/surfaces/surfaces.cpp:580 msgid "Calculating spin density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:586 +#: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 +#: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:837 msgid "Export Movie" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:835 +#: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4588,7 +4592,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1684 +#: qtplugins/symmetry/symmetry.h:34:1687 msgid "Symmetry" msgstr "" @@ -6926,66 +6930,71 @@ msgstr "" msgid "Electrostatic Potential" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:209 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:231 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:236 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:241 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:367 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:384 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:246 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:251 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:306 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:352 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 +#. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) +msgid " " +msgstr "" + +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:379 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:389 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:529 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:542 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." msgstr "" diff --git a/i18n/te.po b/i18n/te.po index e4792042cd..303a4df825 100644 --- a/i18n/te.po +++ b/i18n/te.po @@ -6,7 +6,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-23 23:03+0000\n" +"POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-10-11 16:27+0000\n" "Last-Translator: Balavamsi Krishna \n" "Language-Team: Telugu \n" "Language-Team: Thai \n" @@ -27,7 +27,7 @@ msgstr "" msgid "No message specified." msgstr "" -#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:68 +#: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " @@ -35,72 +35,72 @@ msgid "" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:205 -#: qtgui/interfacescript.cpp:301 +#: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 +#: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." msgstr "" -#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:208 -#: qtgui/interfacescript.cpp:304 +#: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 +#: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." msgstr "" -#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:324 +#: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" -#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:326 +#: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" msgstr "" -#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:330 +#: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" -#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:363 +#: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:369 +#: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" -#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:375 +#: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." msgstr "" -#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:379 +#: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." msgstr "" -#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:390 +#: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" -#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:395 +#: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." msgstr "" -#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:406 +#: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." msgstr "" -#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:410 +#: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" -#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:454 +#: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" @@ -121,7 +121,7 @@ msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" -#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:512 +#: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" @@ -130,7 +130,7 @@ msgid "" "%3" msgstr "" -#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:521 +#: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" @@ -487,7 +487,7 @@ msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:34:1747 +#: qtgui/elementtranslator.cpp:34:1750 msgid "Carbon" msgstr "" @@ -569,13 +569,13 @@ msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:94:1750 +#: qtgui/elementtranslator.cpp:94:1753 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) -#: qtgui/elementtranslator.cpp:97:1753 +#: qtgui/elementtranslator.cpp:97:1756 msgid "Cobalt" msgstr "" @@ -1017,18 +1017,18 @@ msgstr "" msgid "All supported formats" msgstr "" -#: qtgui/interfacescript.cpp:222 +#: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:492 +#: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" -#: qtgui/interfacescript.cpp:500 +#: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" @@ -1183,7 +1183,7 @@ msgstr "" msgid "Symmetry Elements" msgstr "" -#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:26 +#: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" @@ -1289,7 +1289,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 -#: qtplugins/selectiontool/selectiontool.cpp:252:1567 +#: qtplugins/selectiontool/selectiontool.cpp:254:1567 msgid "Change Layer" msgstr "" @@ -1680,25 +1680,25 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:735 +#: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:106 -#: qtplugins/surfaces/surfaces.cpp:737 +#: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:108 -#: qtplugins/surfaces/surfaces.cpp:739 +#: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:110 -#: qtplugins/surfaces/surfaces.cpp:741 +#: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" msgstr "" @@ -1706,7 +1706,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 #: qtplugins/applycolors/applycolors.cpp:299 -#: qtplugins/surfaces/surfaces.cpp:743 +#: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" msgstr "" @@ -1714,7 +1714,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:745 +#: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" msgstr "" @@ -1722,7 +1722,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 #: qtplugins/applycolors/applycolors.cpp:300 -#: qtplugins/surfaces/surfaces.cpp:747 +#: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" msgstr "" @@ -1730,7 +1730,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:749 +#: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" msgstr "" @@ -1738,61 +1738,61 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 #: qtplugins/applycolors/applycolors.cpp:301 -#: qtplugins/surfaces/surfaces.cpp:751 +#: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:181 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:753:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:176 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:755:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:166 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:757:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:171 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:759:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:186 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:761:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1823,7 +1823,7 @@ msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:150 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 @@ -2036,7 +2036,7 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:272 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 #: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 @@ -2247,12 +2247,12 @@ msgstr "" msgid "Edit Atomic Coordinates" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:261 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:394 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 -#: qtplugins/label/label.cpp:158:1645 rc.cpp:1672 +#: qtplugins/label/label.cpp:158:1645 rc.cpp:1675 msgid "Custom" msgstr "" @@ -2662,9 +2662,9 @@ msgstr "" msgid "Other…" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:256 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" @@ -2777,20 +2777,20 @@ msgstr "" msgid "&Calculate" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:287 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 msgid "Optimize Geometry" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:328 +#: qtplugins/forcefield/forcefield.cpp:329 #, qt-format msgid "%1 Energy = %L2" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 -#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:883 -#: qtplugins/surfaces/surfaces.cpp:927 qtplugins/surfaces/surfaces.cpp:939 +#: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 +#: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Avogadro" msgstr "" @@ -2821,17 +2821,17 @@ msgstr "" msgid "Merck Molecular Force Field 94" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:238 +#: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:248 +#: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" -#: qtplugins/forcefield/scriptenergy.cpp:256 +#: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" @@ -3059,7 +3059,7 @@ msgstr "" #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:374 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:153 qtplugins/label/label.cpp:193:1300 msgid "None" @@ -3261,7 +3261,7 @@ msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 -#: qtplugins/surfaces/surfaces.cpp:244 qtplugins/symmetry/symmetry.cpp:82 +#: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 msgid "&Analysis" msgstr "" @@ -3689,15 +3689,15 @@ msgctxt "frames per second" msgid " FPS" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:436 -#. i18n: ectx: property (text), widget (QLabel, label_5) -#: qtplugins/playertool/playertool.cpp:113:1675 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 +#. i18n: ectx: property (text), widget (QLabel, frameLabel) +#: qtplugins/playertool/playertool.cpp:113:1678 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 -#: qtplugins/surfaces/surfacedialog.cpp:219 +#: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" msgstr "" @@ -3723,7 +3723,7 @@ msgstr "" msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" -#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:855 +#: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" msgstr "" @@ -3739,11 +3739,11 @@ msgstr "" msgid "Movie (*.avi)" msgstr "" -#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:928 +#: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." msgstr "" -#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:940 +#: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." msgstr "" @@ -4289,15 +4289,15 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) -#: qtplugins/select/select.h:30:1714 +#: qtplugins/select/select.h:30:1717 msgid "Select" msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:51 +#: qtplugins/selectiontool/selectiontool.cpp:50 msgid "Selection" msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:54 +#: qtplugins/selectiontool/selectiontool.cpp:53 msgid "" "Selection Tool\n" "\n" @@ -4308,7 +4308,7 @@ msgid "" "Double-Click: \tSelect an entire fragment." msgstr "" -#: qtplugins/selectiontool/selectiontool.cpp:236 +#: qtplugins/selectiontool/selectiontool.cpp:238 msgid "Paint Atoms" msgstr "" @@ -4327,7 +4327,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) -#: qtplugins/spacegroup/spacegroup.cpp:68:1699 +#: qtplugins/spacegroup/spacegroup.cpp:68:1702 msgid "Symmetrize" msgstr "" @@ -4459,39 +4459,43 @@ msgstr "" msgid "Display spectra and vibrational modes." msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:27 +#: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:29 +#: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:156 +#: qtplugins/surfaces/surfacedialog.cpp:162 msgid "Molecular Orbital" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:158 +#: qtplugins/surfaces/surfacedialog.cpp:165 msgid "Electron Density" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:177 +#: qtplugins/surfaces/surfacedialog.cpp:172 +msgid "Spin Density" +msgstr "" + +#: qtplugins/surfaces/surfacedialog.cpp:184 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:179 +#: qtplugins/surfaces/surfacedialog.cpp:186 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:181 +#: qtplugins/surfaces/surfacedialog.cpp:188 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" -#: qtplugins/surfaces/surfacedialog.cpp:196 +#: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" msgstr "" @@ -4531,28 +4535,28 @@ msgstr "" msgid "Render a cube supplied with the file." msgstr "" -#: qtplugins/surfaces/surfaces.cpp:568 +#: qtplugins/surfaces/surfaces.cpp:571 msgid "Calculating electron density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:577 +#: qtplugins/surfaces/surfaces.cpp:580 msgid "Calculating spin density" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:586 +#: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:832 qtplugins/surfaces/surfaces.cpp:860 +#: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:834 +#: qtplugins/surfaces/surfaces.cpp:837 msgid "Export Movie" msgstr "" -#: qtplugins/surfaces/surfaces.cpp:835 +#: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" @@ -4590,7 +4594,7 @@ msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) -#: qtplugins/symmetry/symmetry.h:34:1684 +#: qtplugins/symmetry/symmetry.h:34:1687 msgid "Symmetry" msgstr "" @@ -6928,66 +6932,71 @@ msgstr "" msgid "Electrostatic Potential" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:209 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:231 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:236 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:241 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:367 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:384 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:246 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:251 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:306 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:352 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 +#. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) +msgid " " +msgstr "" + +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:379 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:389 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:529 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:542 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." msgstr "" diff --git a/i18n/tr.po b/i18n/tr.po index cf36946d67..ce623e5cf0 100644 --- a/i18n/tr.po +++ b/i18n/tr.po @@ -13,7 +13,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-23 23:03+0000\n" +"POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-05-20 18:51+0000\n" "Last-Translator: Hıncal Gökhan BAKIR \n" "Language-Team: Turkish \n" "Language-Team: Uyghur \n" "Language-Team: Ukrainian \n" "Language-Team: Vietnamese \n" "Language-Team: Chinese (Simplified) \n" "Language-Team: Chinese (Traditional) Date: Sun, 29 Oct 2023 13:35:44 -0400 Subject: [PATCH 087/186] Remove a few debugging statements Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/forcefield/forcefield.cpp | 3 --- avogadro/quantumio/orca.cpp | 6 ------ 2 files changed, 9 deletions(-) diff --git a/avogadro/qtplugins/forcefield/forcefield.cpp b/avogadro/qtplugins/forcefield/forcefield.cpp index 4ae132fc9a..688773bf9e 100644 --- a/avogadro/qtplugins/forcefield/forcefield.cpp +++ b/avogadro/qtplugins/forcefield/forcefield.cpp @@ -182,9 +182,6 @@ void Forcefield::setupMethod() if (m_autodetect) m_methodName = recommendedForceField(); - qDebug() << " setup method " << m_methodName.c_str() << " autodetect: " - << m_autodetect << " recommended " << recommendedForceField().c_str(); - if (m_method == nullptr) { // we have to create the calculator m_method = Calc::EnergyManager::instance().model(m_methodName); diff --git a/avogadro/quantumio/orca.cpp b/avogadro/quantumio/orca.cpp index 1748711678..8578236e74 100644 --- a/avogadro/quantumio/orca.cpp +++ b/avogadro/quantumio/orca.cpp @@ -303,8 +303,6 @@ void ORCAOutput::processLine(std::istream& in, GaussianSet* basis) bond.push_back(secondAtom); bond.push_back(static_cast(std::round(bondOrder))); m_bondOrders.push_back(bond); - std::cout << " bond " << firstAtom << " " << secondAtom << " " - << bondOrder << std::endl; } if (key.size() > 54 && key[28] == 'B') { @@ -317,8 +315,6 @@ void ORCAOutput::processLine(std::istream& in, GaussianSet* basis) bond.push_back(firstAtom); bond.push_back(secondAtom); bond.push_back(static_cast(std::round(bondOrder))); - std::cout << " bond " << firstAtom << " " << secondAtom << " " - << bondOrder << std::endl; m_bondOrders.push_back(bond); } } @@ -332,8 +328,6 @@ void ORCAOutput::processLine(std::istream& in, GaussianSet* basis) bond.push_back(firstAtom); bond.push_back(secondAtom); bond.push_back(static_cast(std::round(bondOrder))); - std::cout << " bond " << firstAtom << " " << secondAtom << " " - << bondOrder << std::endl; m_bondOrders.push_back(bond); } } From 303bad718c7d78d05e9d1c6d087ed4375e2004c0 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Martin=20Slav=C3=ADk?= Date: Sun, 29 Oct 2023 13:43:54 +0000 Subject: [PATCH 088/186] Translated using Weblate (Czech) Currently translated at 27.6% (408 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/cs/ --- i18n/cs.po | 14 ++++++++------ 1 file changed, 8 insertions(+), 6 deletions(-) diff --git a/i18n/cs.po b/i18n/cs.po index 40f5614973..86f82446ce 100644 --- a/i18n/cs.po +++ b/i18n/cs.po @@ -5,20 +5,23 @@ # FIRST AUTHOR , 2008. # Pavel Fric , 2009, 2012. # Pavel Fric , 2010. +# Martin Slavík , 2023. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2016-06-29 05:59+0000\n" -"Last-Translator: fri \n" -"Language-Team: Czech \n" +"PO-Revision-Date: 2023-10-31 11:02+0000\n" +"Last-Translator: Martin Slavík \n" +"Language-Team: Czech \n" "Language: cs\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" +"Plural-Forms: nplurals=3; plural=(n==1) ? 0 : (n>=2 && n<=4) ? 1 : 2;\n" +"X-Generator: Weblate 5.2-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" -"X-Generator: Launchpad (build 18609)\n" #: molequeue/batchjob.cpp:70 #, qt-format @@ -1499,9 +1502,8 @@ msgstr "&Soubor" #: qtplugins/3dmol/3dmol.cpp:51 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 -#, fuzzy msgid "&Export" -msgstr "Export" +msgstr "&Exportovat" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" From 3a2d02e1e39d03c57ac6f7b510147393d5c868f6 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Alejandro=20D=C3=ADaz-Moscoso?= Date: Mon, 30 Oct 2023 10:50:56 +0000 Subject: [PATCH 089/186] Translated using Weblate (Spanish) Currently translated at 100.0% (1473 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 14 +++++--------- 1 file changed, 5 insertions(+), 9 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index c8c72f9666..da9f5ddde8 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -14,8 +14,8 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2023-10-24 10:31+0000\n" -"Last-Translator: gallegonovato \n" +"PO-Revision-Date: 2023-10-31 11:02+0000\n" +"Last-Translator: Alejandro Díaz-Moscoso \n" "Language-Team: Spanish \n" "Language: es\n" @@ -23,7 +23,7 @@ msgstr "" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" -"X-Generator: Weblate 5.1.1-dev\n" +"X-Generator: Weblate 5.2-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:70 @@ -4698,10 +4698,8 @@ msgid "Electron Density" msgstr "Densidad Electrónica" #: qtplugins/surfaces/surfacedialog.cpp:172 -#, fuzzy -#| msgid "Density" msgid "Spin Density" -msgstr "Densidad" +msgstr "Densidad de Espín" #: qtplugins/surfaces/surfacedialog.cpp:184 #, qt-format @@ -7276,10 +7274,8 @@ msgstr "Valor de la Isosuperficie:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) -#, fuzzy -#| msgid ", " msgid " " -msgstr ", " +msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) From 8b97480395c009588904cc0d62cc89ec430d88f8 Mon Sep 17 00:00:00 2001 From: Atharva Kanherkar Date: Sun, 29 Oct 2023 06:57:36 +0000 Subject: [PATCH 090/186] Translated using Weblate (Hindi) Currently translated at 7.8% (115 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/hi/ --- i18n/hi.po | 18 ++++++++++-------- 1 file changed, 10 insertions(+), 8 deletions(-) diff --git a/i18n/hi.po b/i18n/hi.po index 678cff795a..96460a37c6 100644 --- a/i18n/hi.po +++ b/i18n/hi.po @@ -2,21 +2,23 @@ # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2010. -# +# Atharva Kanherkar , 2023. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2016-06-10 06:33+0000\n" -"Last-Translator: Rahul Krishna \n" -"Language-Team: Hindi \n" +"PO-Revision-Date: 2023-10-31 11:02+0000\n" +"Last-Translator: Atharva Kanherkar \n" +"Language-Team: Hindi \n" "Language: hi\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" +"Plural-Forms: nplurals=2; plural=n > 1;\n" +"X-Generator: Weblate 5.2-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" -"X-Generator: Launchpad (build 18609)\n" #: molequeue/batchjob.cpp:70 #, qt-format @@ -445,7 +447,7 @@ msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" -msgstr "" +msgstr "पृष्ठचित्रित फ़ाइल प्रारूप में कोई मोलेक्यूल सेट नहीं!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" @@ -453,7 +455,7 @@ msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" -msgstr "" +msgstr "पृष्ठचित्रित फ़ाइल प्रारूप में कोई फ़ाइल नाम नहीं सेट किया गया!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" @@ -1199,7 +1201,7 @@ msgstr "" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" -msgstr "" +msgstr "शीर्षकहीन" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" From 45d027caf3a0f70ff7eca19cafb6ed515e98cba5 Mon Sep 17 00:00:00 2001 From: ovari Date: Sun, 29 Oct 2023 10:04:16 +0000 Subject: [PATCH 091/186] Translated using Weblate (Hungarian) Currently translated at 100.0% (1473 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/hu/ --- i18n/hu.po | 87 ++++++++++++++++++------------------------------------ 1 file changed, 28 insertions(+), 59 deletions(-) diff --git a/i18n/hu.po b/i18n/hu.po index d9a4dfc2a4..35ef640c8f 100644 --- a/i18n/hu.po +++ b/i18n/hu.po @@ -10,7 +10,7 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2023-10-17 23:41+0000\n" +"PO-Revision-Date: 2023-10-31 11:02+0000\n" "Last-Translator: ovari \n" "Language-Team: Hungarian \n" @@ -19,7 +19,7 @@ msgstr "" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" -"X-Generator: Weblate 5.1\n" +"X-Generator: Weblate 5.2-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:70 @@ -2055,17 +2055,15 @@ msgstr "Kötés" #: qtplugins/bonding/bonding.cpp:74 msgid "Remove bonds from all or selected atoms." -msgstr "" +msgstr "Kötések eltávolítása az összes vagy a kijelölt atomról." #: qtplugins/bonding/bonding.cpp:76 msgid "Create bonds between all or selected atoms." -msgstr "" +msgstr "Kötések létrehozása az összes vagy a kijelölt atom között." #: qtplugins/bonding/bonding.cpp:77 -#, fuzzy -#| msgid "Perceive Bond Orders" msgid "Perceive bond orders." -msgstr "Kötésrendek érzékelése" +msgstr "Kötésrendek érzékelése." #: qtplugins/bonding/bonding.h:32 msgid "Bonding" @@ -2708,16 +2706,12 @@ msgid "Import Crystal from Clipboard" msgstr "Kristály importálása a vágólapról" #: qtplugins/crystal/crystal.cpp:175 -#, fuzzy -#| msgid "&Wrap Atoms to Unit Cell" msgid "Wrap atoms into the unit cell." -msgstr "Atomoktól egységcelláig &körbefolyatása" +msgstr "Atomoktól egységcelláig körbefolyatása." #: qtplugins/crystal/crystal.cpp:177 -#, fuzzy -#| msgid "Rotate to Standard Orientation" msgid "Rotate the unit cell to the standard orientation." -msgstr "Szabványos tájolás elforgatása" +msgstr "Egységcella elforgatása a szabványos tájolásba." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" @@ -2910,34 +2904,24 @@ msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Atomi erőtérek képi megjelenítése a molekula számára." #: qtplugins/forcefield/forcefield.cpp:75 -#, fuzzy -#| msgid "Optimization" msgid "Optimize" msgstr "Optimalizálás" #: qtplugins/forcefield/forcefield.cpp:91 -#, fuzzy -#| msgid "Configure Bonding…" msgid "Configure…" -msgstr "Kötési beállítások…" +msgstr "Beállítások…" #: qtplugins/forcefield/forcefield.cpp:103 -#, fuzzy -#| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" -msgstr "Kijelölt atomok importálása" +msgstr "Kijelölt atomok lefagyása" #: qtplugins/forcefield/forcefield.cpp:110 -#, fuzzy -#| msgid "Bond Selected Atoms" msgid "Unfreeze Selected Atoms" -msgstr "Kijelölt atomok kötése" +msgstr "Kijelölt atomok lefagyásának feloldása" #: qtplugins/forcefield/forcefield.cpp:126 -#, fuzzy -#| msgid "Calculate" msgid "&Calculate" -msgstr "Számítás" +msgstr "S&zámítás" #: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 @@ -2945,10 +2929,9 @@ msgid "Optimize Geometry" msgstr "Geometria optimalizálása" #: qtplugins/forcefield/forcefield.cpp:329 -#, fuzzy, qt-format -#| msgid "Energy = %L1 %2" +#, qt-format msgid "%1 Energy = %L2" -msgstr "Energia = %L1 %2" +msgstr "%1 energia = %L2" #: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 @@ -2959,16 +2942,12 @@ msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.h:46 -#, fuzzy -#| msgid "Forcefield Optimization" msgid "Forcefield optimization" -msgstr "Erőtér optimalizálás" +msgstr "Erőtér optimalizálása" #: qtplugins/forcefield/forcefield.h:50 -#, fuzzy -#| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" -msgstr "Erőtér optimalizálás" +msgstr "Erőtér minimalizálás, parancsfájlok beleértve" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 @@ -2977,28 +2956,26 @@ msgid "Autodetect (%1)" msgstr "Automatikus felismerés (%1)" #: qtplugins/forcefield/obmmenergy.cpp:77 -#, fuzzy -#| msgid "Force Field" msgid "Universal Force Field" -msgstr "Erőtér" +msgstr "Egyetemes erőtér" #: qtplugins/forcefield/obmmenergy.cpp:82 msgid "Generalized Amber Force Field" -msgstr "" +msgstr "Általánosított borostyánsárga erőtér" #: qtplugins/forcefield/obmmenergy.cpp:96 msgid "Merck Molecular Force Field 94" -msgstr "" +msgstr "Merck molekuláris erőtér 94" #: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" -msgstr "" +msgstr "Hiba történt az energiaparancsfájl metaadatainak lekérésekor: %1" #: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" -msgstr "" +msgstr "Hiba történt az energiaparancsfájl metaadatainak elemzésekor: %1" #: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format @@ -3006,6 +2983,8 @@ msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" +"Hiba történt az energiaparancsfájl metaadatainak elemzésekor: %1\n" +"Az eredmény nem JSON-objektum.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" @@ -4396,10 +4375,8 @@ msgid "Align View to Axes" msgstr "Nézet igazítása a tengelyekhez" #: qtplugins/resetview/resetview.cpp:52 -#, fuzzy -#| msgid "Align View to Axes" msgid "Align view to axes." -msgstr "Nézet igazítása a tengelyekhez" +msgstr "Nézet igazítása a tengelyekhez." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" @@ -4593,7 +4570,7 @@ msgstr "Tércsoport" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." -msgstr "" +msgstr "Szimmetrikus atomok kitöltése a kristálytércsoport alapján." #: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" @@ -4729,10 +4706,8 @@ msgid "Electron Density" msgstr "Elektronsűrűség" #: qtplugins/surfaces/surfacedialog.cpp:172 -#, fuzzy -#| msgid "Density" msgid "Spin Density" -msgstr "Sűrűség" +msgstr "Centrifugálási sűrűség" #: qtplugins/surfaces/surfacedialog.cpp:184 #, qt-format @@ -5726,10 +5701,8 @@ msgstr "Összefolyatás ismérv" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) -#, fuzzy -#| msgid "\"Energy\" convergence:" msgid "Energy convergence:" -msgstr "„Energia” összefolyattatása:" +msgstr "Energia összefolyattatása:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) @@ -5767,10 +5740,8 @@ msgstr " lépés" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) -#, fuzzy -#| msgid "\"Energy\" convergence:" msgid "Gradient convergence:" -msgstr "„Energia” összefolyattatása:" +msgstr "Gradiens összefolyattatása:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) @@ -7307,10 +7278,8 @@ msgstr "Izofelületi érték:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) -#, fuzzy -#| msgid ", " msgid " " -msgstr ", " +msgstr " , " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) From af73338cfa732c5bf5ae75bf0f2e6ac778c6af66 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 31 Oct 2023 12:28:26 -0400 Subject: [PATCH 092/186] Revert validation of filenames. Something seems very off in the filter Signed-off-by: Geoff Hutchison --- avogadro/io/fileformat.cpp | 2 +- avogadro/qtgui/fileformatdialog.cpp | 8 -------- 2 files changed, 1 insertion(+), 9 deletions(-) diff --git a/avogadro/io/fileformat.cpp b/avogadro/io/fileformat.cpp index e993c56a17..f6a8c2d642 100644 --- a/avogadro/io/fileformat.cpp +++ b/avogadro/io/fileformat.cpp @@ -76,7 +76,7 @@ bool FileFormat::open(const std::string& fileName_, Operation mode_) appendError("Error opening file: " + fileName_); return false; } - } else if (m_mode & Write && validateFileName(m_fileName)) { + } else if (m_mode & Write) { auto* file = new ofstream(m_fileName.c_str(), std::ofstream::binary); m_out = file; if (file->is_open()) { diff --git a/avogadro/qtgui/fileformatdialog.cpp b/avogadro/qtgui/fileformatdialog.cpp index 73765967ff..ee2dc34442 100644 --- a/avogadro/qtgui/fileformatdialog.cpp +++ b/avogadro/qtgui/fileformatdialog.cpp @@ -86,14 +86,6 @@ FileFormatDialog::FormatFilePair FileFormatDialog::fileToWrite( if (fileName.isEmpty()) // user cancel return result; - if (FileFormat::validateFileName(fileName.toStdString()) == false) { - QMessageBox::warning( - parentWidget, caption, - tr("The file name contains invalid characters. Please choose another " - "file name.")); - continue; - } - const Io::FileFormat* format = findFileFormat( parentWidget, caption, fileName, FileFormat::File | FileFormat::Write); From 29eddda5c451385b2591a60ed025849c7aea0d83 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 31 Oct 2023 16:59:32 -0400 Subject: [PATCH 093/186] Update README.md Minor tweaks to the badges. Working to bring back the download count and the citation count. Signed-off-by: Geoff Hutchison --- README.md | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 27ec6a0e8c..1145e7aabb 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,8 @@ # ![Avogadro 2][Avogadro2Logo] Avogadro 2 -[![Latest Release](https://img.shields.io/github/v/release/openchemistry/avogadrolibs)](https://github.com/OpenChemistry/avogadrolibs/releases) [![BSD License](https://img.shields.io/github/license/openchemistry/avogadrolibs)](https://github.com/OpenChemistry/avogadrolibs/blob/master/LICENSE) [![Build Status](https://img.shields.io/github/actions/workflow/status/openchemistry/avogadrolibs/build_cmake.yml?branch=master)](https://github.com/OpenChemistry/avogadrolibs/actions) [![PRs Welcome](https://img.shields.io/badge/PRs-welcome-brightgreen.svg?style=flat-square)](http://makeapullrequest.com) [![GitHub contributors](https://img.shields.io/github/contributors/openchemistry/avogadrolibs.svg?style=flat)](https://github.com/OpenChemistry/avogadrolibs/graphs/contributors) [![OpenCollective Backers](https://img.shields.io/opencollective/all/open-chemistry)](https://opencollective.com/open-chemistry) +[![Latest Release](https://img.shields.io/github/v/release/openchemistry/avogadrolibs)](https://github.com/OpenChemistry/avogadrolibs/releases) [![BSD License](https://img.shields.io/github/license/openchemistry/avogadrolibs)](https://github.com/OpenChemistry/avogadrolibs/blob/master/LICENSE) [![Build Status](https://img.shields.io/github/actions/workflow/status/openchemistry/avogadrolibs/build_cmake.yml?branch=master)](https://github.com/OpenChemistry/avogadrolibs/actions) [![Codacy Badge](https://app.codacy.com/project/badge/Grade/44bb12662c564ed8a27ee8a7fd89ed50)](https://app.codacy.com/gh/OpenChemistry/avogadrolibs/dashboard?utm_source=gh&utm_medium=referral&utm_content=&utm_campaign=Badge_grade) + +[![PRs Welcome](https://img.shields.io/badge/PRs-welcome-brightgreen.svg?style=flat)](http://makeapullrequest.com) [![GitHub contributors](https://img.shields.io/github/contributors/openchemistry/avogadrolibs.svg?style=flat&color=0bf)](https://github.com/OpenChemistry/avogadrolibs/graphs/contributors) [![OpenCollective Backers](https://img.shields.io/opencollective/all/open-chemistry)](https://opencollective.com/open-chemistry) ## Introduction From 4d36e35b8866b410c28d3eb8b6da67b5f64afe17 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Wed, 1 Nov 2023 15:09:27 -0400 Subject: [PATCH 094/186] Update README.md Signed-off-by: Geoff Hutchison --- README.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 1145e7aabb..4699a107cc 100644 --- a/README.md +++ b/README.md @@ -1,7 +1,7 @@ # ![Avogadro 2][Avogadro2Logo] Avogadro 2 -[![Latest Release](https://img.shields.io/github/v/release/openchemistry/avogadrolibs)](https://github.com/OpenChemistry/avogadrolibs/releases) [![BSD License](https://img.shields.io/github/license/openchemistry/avogadrolibs)](https://github.com/OpenChemistry/avogadrolibs/blob/master/LICENSE) [![Build Status](https://img.shields.io/github/actions/workflow/status/openchemistry/avogadrolibs/build_cmake.yml?branch=master)](https://github.com/OpenChemistry/avogadrolibs/actions) [![Codacy Badge](https://app.codacy.com/project/badge/Grade/44bb12662c564ed8a27ee8a7fd89ed50)](https://app.codacy.com/gh/OpenChemistry/avogadrolibs/dashboard?utm_source=gh&utm_medium=referral&utm_content=&utm_campaign=Badge_grade) - +[![Latest Release](https://img.shields.io/github/v/release/openchemistry/avogadrolibs)](https://github.com/OpenChemistry/avogadrolibs/releases) [![BSD License](https://img.shields.io/github/license/openchemistry/avogadrolibs)](https://github.com/OpenChemistry/avogadrolibs/blob/master/LICENSE) [![Build Status](https://img.shields.io/github/actions/workflow/status/openchemistry/avogadrolibs/build_cmake.yml?branch=master)](https://github.com/OpenChemistry/avogadrolibs/actions) [![Codacy Badge](https://app.codacy.com/project/badge/Grade/44bb12662c564ed8a27ee8a7fd89ed50)](https://app.codacy.com/gh/OpenChemistry/avogadrolibs/dashboard?utm_source=gh&utm_medium=referral&utm_content=&utm_campaign=Badge_grade) +[![Download Count](https://avogadro.cc/downloads.svg)](https://github.com/OpenChemistry/avogadrolibs/releases) [![Citation Count](https://avogadro.cc/citations.svg)](http://doi.org/10.1186/1758-2946-4-17) [![PRs Welcome](https://img.shields.io/badge/PRs-welcome-brightgreen.svg?style=flat)](http://makeapullrequest.com) [![GitHub contributors](https://img.shields.io/github/contributors/openchemistry/avogadrolibs.svg?style=flat&color=0bf)](https://github.com/OpenChemistry/avogadrolibs/graphs/contributors) [![OpenCollective Backers](https://img.shields.io/opencollective/all/open-chemistry)](https://opencollective.com/open-chemistry) ## Introduction From c97b431052778bd9ae8b31b97d7ee90e1bd83b1a Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Thu, 2 Nov 2023 11:46:21 -0400 Subject: [PATCH 095/186] Bump version number to 1.98.1 for bugfix Signed-off-by: Geoff Hutchison --- CMakeLists.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 0cff690e2f..77c0fec243 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -23,7 +23,7 @@ include(DetermineVersion) # Set up our version. set(AvogadroLibs_VERSION_MAJOR "1") set(AvogadroLibs_VERSION_MINOR "98") -set(AvogadroLibs_VERSION_PATCH "0") +set(AvogadroLibs_VERSION_PATCH "1") set(AvogadroLibs_VERSION "${AvogadroLibs_VERSION_MAJOR}.${AvogadroLibs_VERSION_MINOR}.${AvogadroLibs_VERSION_PATCH}") find_package(Git) From dd2cd850d94e70618d207c5b436ab38d96f2fe52 Mon Sep 17 00:00:00 2001 From: Anna Malinovskaia Date: Thu, 2 Nov 2023 20:34:10 +0000 Subject: [PATCH 096/186] Translated using Weblate (Russian) Currently translated at 25.7% (379 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index cb91463ed6..f7f68bd576 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -6,7 +6,7 @@ # Yuri Kozlov , 2011. # Artem , 2020. # koffevar , 2020. -# Anna Malinovskaia , 2021, 2022. +# Anna Malinovskaia , 2021, 2022, 2023. # Alex Brohovsky , 2021. # МАН69К , 2022. # Kateryna Golovanvoa , 2022. @@ -16,8 +16,8 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2023-04-17 02:51+0000\n" -"Last-Translator: Oleg Shparber \n" +"PO-Revision-Date: 2023-11-02 20:34+0000\n" +"Last-Translator: Anna Malinovskaia \n" "Language-Team: Russian \n" "Language: ru\n" @@ -26,7 +26,7 @@ msgstr "" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=n%10==1 && n%100!=11 ? 0 : n%10>=2 && " "n%10<=4 && (n%100<10 || n%100>=20) ? 1 : 2;\n" -"X-Generator: Weblate 4.17-dev\n" +"X-Generator: Weblate 5.2-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:70 @@ -91,7 +91,7 @@ msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." -msgstr "" +msgstr "элемент \"файлы\" не является массивом." #: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." From a541668d5c464c1c3a92c2b86c32aa09e0667e83 Mon Sep 17 00:00:00 2001 From: Ivanushka Date: Thu, 2 Nov 2023 20:33:34 +0000 Subject: [PATCH 097/186] Translated using Weblate (Russian) Currently translated at 25.7% (379 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 13 ++++++++----- 1 file changed, 8 insertions(+), 5 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index f7f68bd576..394f76b6c4 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -11,13 +11,14 @@ # МАН69К , 2022. # Kateryna Golovanvoa , 2022. # Oleg Shparber , 2023. +# Ivanushka , 2023. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-11-02 20:34+0000\n" -"Last-Translator: Anna Malinovskaia \n" +"Last-Translator: Ivanushka \n" "Language-Team: Russian \n" "Language: ru\n" @@ -32,7 +33,7 @@ msgstr "" #: molequeue/batchjob.cpp:70 #, qt-format msgid "Batch Job #%L1 (%2)" -msgstr "" +msgstr "Фоновое задание #%L1 (%2)" #: molequeue/client/client.cpp:244 msgid "No message specified." @@ -52,12 +53,12 @@ msgstr "" #: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 #: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." -msgstr "" +msgstr "Возвращено нестроковое предупреждение." #: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 #: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." -msgstr "" +msgstr "элемент 'предупрежден' не является массивом." #: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format @@ -74,6 +75,8 @@ msgstr "Ошибка заполнения файла %1: %2" msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" +"Файл '%1' имеет неверное содержание. Отсутствует элементы строки 'contents' " +"или 'filePath'." #: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format @@ -2859,7 +2862,7 @@ msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" -msgstr "Не удалось загрузить из сети" +msgstr "Сетевой сбой при загрузке" #: qtplugins/fetchpdb/fetchpdb.cpp:105 #: qtplugins/networkdatabases/networkdatabases.cpp:100 From 8e611e7c6fc43e164c79e328e0bff99679a541e6 Mon Sep 17 00:00:00 2001 From: Ivanushka Date: Thu, 2 Nov 2023 20:34:19 +0000 Subject: [PATCH 098/186] Translated using Weblate (Russian) Currently translated at 26.0% (384 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index 394f76b6c4..f9600cb01f 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -17,7 +17,7 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2023-11-02 20:34+0000\n" +"PO-Revision-Date: 2023-11-02 20:36+0000\n" "Last-Translator: Ivanushka \n" "Language-Team: Russian \n" @@ -94,7 +94,7 @@ msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." -msgstr "элемент \"файлы\" не является массивом." +msgstr "элемент 'файлы' не является массивом." #: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." From 2498d49cbc4b823b9c41bee0012f9960d10c04ca Mon Sep 17 00:00:00 2001 From: Anna Malinovskaia Date: Thu, 2 Nov 2023 20:35:00 +0000 Subject: [PATCH 099/186] Translated using Weblate (Russian) Currently translated at 26.0% (384 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 29 ++++++++++++++++++++++++++++- 1 file changed, 28 insertions(+), 1 deletion(-) diff --git a/i18n/ru.po b/i18n/ru.po index f9600cb01f..b1571906df 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -18,7 +18,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-11-02 20:36+0000\n" -"Last-Translator: Ivanushka \n" +"Last-Translator: Anna Malinovskaia \n" "Language-Team: Russian \n" "Language: ru\n" @@ -118,6 +118,8 @@ msgid "" "Script output:\n" "%1" msgstr "" +"Вывод сценария:\n" +"%1" #: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format @@ -127,6 +129,10 @@ msgid "" "\n" "%3" msgstr "" +"Ошибка синтаксического анализа при смещении %L1: \"%2\"\n" +"Необработанный JSON:\n" +"\n" +"%3" #: molequeue/inputgenerator.cpp:350 #, qt-format @@ -150,6 +156,11 @@ msgid "" "\n" "%3" msgstr "" +"Ошибка создания объекта cjson: Ошибка синтаксического анализа при смещении " +"%1: %2\n" +"Необработанный JSON:\n" +"\n" +"%3" #: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format @@ -157,6 +168,9 @@ msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" +"Генератор ошибок Объект cjson: Проанализированный JSON не является объектом:" +"\n" +"%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" @@ -211,7 +225,20 @@ msgid_plural "" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" +"Следующие файлы были изменены:\n" +"\n" +"%1\n" +"\n" +"Хотели бы вы перезаписать свои изменения, чтобы отразить новую геометрию или " +"параметры задания?" msgstr[1] "" +"Следующие файлы были изменены:\n" +"\n" +"%1\n" +"\n" +"Хотели бы вы перезаписать свои изменения, чтобы отразить новую геометрию или " +"параметры задания?" +msgstr[2] "" #: molequeue/inputgeneratorwidget.cpp:162 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 From 034f5ead3152ba41b358af11cc2df70a9784045d Mon Sep 17 00:00:00 2001 From: Anna Malinovskaia Date: Thu, 2 Nov 2023 20:37:26 +0000 Subject: [PATCH 100/186] Translated using Weblate (Russian) Currently translated at 26.5% (391 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 16 ++++++++++------ 1 file changed, 10 insertions(+), 6 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index b1571906df..1b0620e32a 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -17,7 +17,7 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2023-11-02 20:36+0000\n" +"PO-Revision-Date: 2023-11-02 20:37+0000\n" "Last-Translator: Anna Malinovskaia \n" "Language-Team: Russian \n" @@ -84,6 +84,8 @@ msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" +"Неверная запись в файле: имя файла/содержимое отсутствует или нет строк:\n" +"%1" #: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format @@ -102,7 +104,7 @@ msgstr "отсутствует элемент \"файлы\"." #: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." -msgstr "" +msgstr "Элемент \"mainFile\" не ссылается на запись в разделе \"файлы\"." #: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." @@ -244,22 +246,22 @@ msgstr[2] "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" -msgstr "" +msgstr "Перезаписать измененные входные файлы?" #: molequeue/inputgeneratorwidget.cpp:188 msgid "Problems occurred during input generation:" -msgstr "" +msgstr "Проблемы, возникшие во время генерации входных данных:" #: molequeue/inputgeneratorwidget.cpp:277 msgid "No input files to save!" -msgstr "" +msgstr "Нет входных файлов для сохранения!" #: molequeue/inputgeneratorwidget.cpp:285 #: molequeue/inputgeneratorwidget.cpp:593 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:685 msgid "Cannot connect to MoleQueue" -msgstr "" +msgstr "Не удается подключиться к MoleQueue" #: molequeue/inputgeneratorwidget.cpp:286 #: molequeue/inputgeneratorwidget.cpp:594 molequeue/molequeuewidget.cpp:70 @@ -269,6 +271,8 @@ msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" +"Не удается подключиться к серверу MoleQueue. Пожалуйста, убедитесь, что он " +"работает, и повторите попытку." #: molequeue/inputgeneratorwidget.cpp:317 #, qt-format From 7ea26e2a76a78b4aff13c5f331f05857792b61c2 Mon Sep 17 00:00:00 2001 From: Ivanushka Date: Thu, 2 Nov 2023 20:36:19 +0000 Subject: [PATCH 101/186] Translated using Weblate (Russian) Currently translated at 26.5% (391 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 12 +++++++++--- 1 file changed, 9 insertions(+), 3 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index 1b0620e32a..842fefea7a 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -18,7 +18,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-11-02 20:37+0000\n" -"Last-Translator: Anna Malinovskaia \n" +"Last-Translator: Ivanushka \n" "Language-Team: Russian \n" "Language: ru\n" @@ -227,20 +227,26 @@ msgid_plural "" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" -"Следующие файлы были изменены:\n" +"Следующие файл(ы) были изменены:\n" "\n" "%1\n" "\n" "Хотели бы вы перезаписать свои изменения, чтобы отразить новую геометрию или " "параметры задания?" msgstr[1] "" -"Следующие файлы были изменены:\n" +"Следующие файл(ы) были изменены:\n" "\n" "%1\n" "\n" "Хотели бы вы перезаписать свои изменения, чтобы отразить новую геометрию или " "параметры задания?" msgstr[2] "" +"Следующие файл(ы) были изменены:\n" +"\n" +"%1\n" +"\n" +"Хотели бы вы перезаписать свои изменения, чтобы отразить новую геометрию или " +"параметры задания?" #: molequeue/inputgeneratorwidget.cpp:162 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 From 661d54243ed11cc3e65ea02c782771ec6a987462 Mon Sep 17 00:00:00 2001 From: Anna Malinovskaia Date: Thu, 2 Nov 2023 20:38:02 +0000 Subject: [PATCH 102/186] Translated using Weblate (Russian) Currently translated at 26.8% (396 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index 842fefea7a..a6c3bdea3c 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -17,8 +17,8 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2023-11-02 20:37+0000\n" -"Last-Translator: Ivanushka \n" +"PO-Revision-Date: 2023-11-02 20:38+0000\n" +"Last-Translator: Anna Malinovskaia \n" "Language-Team: Russian \n" "Language: ru\n" @@ -283,27 +283,27 @@ msgstr "" #: molequeue/inputgeneratorwidget.cpp:317 #, qt-format msgid "Submit %1 Calculation" -msgstr "" +msgstr "Отправить Расчет %1" #: molequeue/inputgeneratorwidget.cpp:333 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1013 #: qtplugins/gamessinput/gamessinputdialog.cpp:722 msgid "Job Failed" -msgstr "" +msgstr "Задание не выполнено" #: molequeue/inputgeneratorwidget.cpp:334 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1014 #: qtplugins/gamessinput/gamessinputdialog.cpp:723 msgid "The job did not complete successfully." -msgstr "" +msgstr "Работа не была завершена успешно." #: molequeue/inputgeneratorwidget.cpp:351 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" -msgstr "" +msgstr "Скрипт возвращает предупреждения:\n" #: molequeue/inputgeneratorwidget.cpp:368 msgid "Hide &Warnings" -msgstr "" +msgstr "Скрыть и Предупреждения" #: molequeue/inputgeneratorwidget.cpp:374 msgid "Show &Warnings" From 13d12ff6a9a02422d3b4705a5106506898399deb Mon Sep 17 00:00:00 2001 From: Ivanushka Date: Thu, 2 Nov 2023 20:37:48 +0000 Subject: [PATCH 103/186] Translated using Weblate (Russian) Currently translated at 26.8% (396 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index a6c3bdea3c..2b6ed1a30e 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -18,7 +18,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-11-02 20:38+0000\n" -"Last-Translator: Anna Malinovskaia \n" +"Last-Translator: Ivanushka \n" "Language-Team: Russian \n" "Language: ru\n" @@ -104,7 +104,7 @@ msgstr "отсутствует элемент \"файлы\"." #: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." -msgstr "Элемент \"mainFile\" не ссылается на запись в разделе \"файлы\"." +msgstr "Элемент 'mainFile' не ссылается на запись в разделе 'файлы'." #: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." From 99eebc39119ad3daa8a680b1c4bc946cb320497e Mon Sep 17 00:00:00 2001 From: Ivanushka Date: Thu, 2 Nov 2023 20:38:11 +0000 Subject: [PATCH 104/186] Translated using Weblate (Russian) Currently translated at 26.9% (397 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/i18n/ru.po b/i18n/ru.po index 2b6ed1a30e..da04b95078 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -303,7 +303,7 @@ msgstr "Скрипт возвращает предупреждения:\n" #: molequeue/inputgeneratorwidget.cpp:368 msgid "Hide &Warnings" -msgstr "Скрыть и Предупреждения" +msgstr "Скрыть &предупреждения" #: molequeue/inputgeneratorwidget.cpp:374 msgid "Show &Warnings" From a9729b1650e4d63703a7fbdd002cec88d35f4646 Mon Sep 17 00:00:00 2001 From: Anna Malinovskaia Date: Thu, 2 Nov 2023 20:38:16 +0000 Subject: [PATCH 105/186] Translated using Weblate (Russian) Currently translated at 26.9% (397 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index da04b95078..536aef871e 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -18,7 +18,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-11-02 20:38+0000\n" -"Last-Translator: Ivanushka \n" +"Last-Translator: Anna Malinovskaia \n" "Language-Team: Russian \n" "Language: ru\n" @@ -307,7 +307,7 @@ msgstr "Скрыть &предупреждения" #: molequeue/inputgeneratorwidget.cpp:374 msgid "Show &Warnings" -msgstr "" +msgstr "Показывать и Предупреждения" #: molequeue/inputgeneratorwidget.cpp:391 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" From 3dff75a4b96adecd17d1d65c09f9b3b0a7757b96 Mon Sep 17 00:00:00 2001 From: Anna Malinovskaia Date: Thu, 2 Nov 2023 20:38:34 +0000 Subject: [PATCH 106/186] Translated using Weblate (Russian) Currently translated at 27.1% (400 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index 536aef871e..a5d55b307e 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -311,16 +311,17 @@ msgstr "Показывать и Предупреждения" #: molequeue/inputgeneratorwidget.cpp:391 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" -msgstr "" +msgstr "Произошла ошибка:" #: molequeue/inputgeneratorwidget.cpp:442 msgid "Select output filename" -msgstr "" +msgstr "Выберите выходное имя файла" #: molequeue/inputgeneratorwidget.cpp:454 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" +"Внутренняя ошибка: не удалось найти текстовый виджет для имени файла \"%1\"" #: molequeue/inputgeneratorwidget.cpp:470 #: molequeue/inputgeneratorwidget.cpp:581 From 7cc71253a82365f3ab2680e4cee95c7844d0c923 Mon Sep 17 00:00:00 2001 From: Ivanushka Date: Thu, 2 Nov 2023 20:38:23 +0000 Subject: [PATCH 107/186] Translated using Weblate (Russian) Currently translated at 27.1% (400 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index a5d55b307e..b1e18f2350 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -18,7 +18,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-11-02 20:38+0000\n" -"Last-Translator: Anna Malinovskaia \n" +"Last-Translator: Ivanushka \n" "Language-Team: Russian \n" "Language: ru\n" @@ -307,7 +307,7 @@ msgstr "Скрыть &предупреждения" #: molequeue/inputgeneratorwidget.cpp:374 msgid "Show &Warnings" -msgstr "Показывать и Предупреждения" +msgstr "Показывать &предупреждения" #: molequeue/inputgeneratorwidget.cpp:391 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" From c806d03e49f05864e228f3a0bf2acfd625199b82 Mon Sep 17 00:00:00 2001 From: Anna Malinovskaia Date: Thu, 2 Nov 2023 20:39:24 +0000 Subject: [PATCH 108/186] Translated using Weblate (Russian) Currently translated at 28.2% (416 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 43 +++++++++++++++++++++++++++++-------------- 1 file changed, 29 insertions(+), 14 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index b1e18f2350..5bbdf10ee3 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -17,8 +17,8 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2023-11-02 20:38+0000\n" -"Last-Translator: Ivanushka \n" +"PO-Revision-Date: 2023-11-02 20:40+0000\n" +"Last-Translator: Anna Malinovskaia \n" "Language-Team: Russian \n" "Language: ru\n" @@ -334,7 +334,7 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" -msgstr "" +msgstr "Ошибка Вывода" #: molequeue/inputgeneratorwidget.cpp:471 #: molequeue/inputgeneratorwidget.cpp:582 @@ -346,27 +346,27 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." -msgstr "" +msgstr "Не удалось выполнить запись в файл %1." #: molequeue/inputgeneratorwidget.cpp:482 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" -msgstr "" +msgstr "Выберите директорию вывода" #: molequeue/inputgeneratorwidget.cpp:499 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" -msgstr "" +msgstr "%1: Каталог не существует!" #: molequeue/inputgeneratorwidget.cpp:505 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" -msgstr "" +msgstr "%1: Каталог не может быть прочитан!" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 @@ -375,7 +375,7 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." -msgstr "" +msgstr "%1: Файл будет перезаписан." #: molequeue/inputgeneratorwidget.cpp:520 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 @@ -384,13 +384,13 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." -msgstr "" +msgstr "%1: Файл недоступен для записи." #: molequeue/inputgeneratorwidget.cpp:533 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." -msgstr "" +msgstr "Входные файлы не могут быть записаны из-за неизвестной ошибки." #: molequeue/inputgeneratorwidget.cpp:537 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 @@ -401,6 +401,9 @@ msgid "" "\n" "%1" msgstr "" +"Входные файлы не могут быть записаны:\n" +"\n" +"%1" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 @@ -415,6 +418,13 @@ msgid "" "\n" "%2" msgstr "" +"Входные файлы не могут быть записаны:\n" +"\n" +"%1\n" +"\n" +"Предупреждения:\n" +"\n" +"%2" #: molequeue/inputgeneratorwidget.cpp:557 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 @@ -427,16 +437,21 @@ msgid "" "\n" "Would you like to continue?" msgstr "" +"Предупреждение:\n" +"\n" +"%1\n" +"\n" +"Вы хотели бы продолжить?" #: molequeue/inputgeneratorwidget.cpp:561 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" -msgstr "" +msgstr "Запись входных файлов" #: molequeue/inputgeneratorwidget.cpp:608 msgid "Configure Job" -msgstr "" +msgstr "Настройка Задания" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" @@ -444,11 +459,11 @@ msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" -msgstr "" +msgstr "Время Ожидания Отправки Задания" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." -msgstr "" +msgstr "Avogadro отключился, ожидая ответа от MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format From 27c8803e9193d77d7aa0fee9053551754cdcdd8f Mon Sep 17 00:00:00 2001 From: Ivanushka Date: Thu, 2 Nov 2023 20:38:47 +0000 Subject: [PATCH 109/186] Translated using Weblate (Russian) Currently translated at 28.2% (416 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index 5bbdf10ee3..36e1a87c67 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -18,7 +18,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-11-02 20:40+0000\n" -"Last-Translator: Anna Malinovskaia \n" +"Last-Translator: Ivanushka \n" "Language-Team: Russian \n" "Language: ru\n" @@ -321,7 +321,7 @@ msgstr "Выберите выходное имя файла" #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" -"Внутренняя ошибка: не удалось найти текстовый виджет для имени файла \"%1\"" +"Внутренняя ошибка: не удалось найти текстовый виджет для имени файла '%1'" #: molequeue/inputgeneratorwidget.cpp:470 #: molequeue/inputgeneratorwidget.cpp:581 @@ -455,7 +455,7 @@ msgstr "Настройка Задания" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" -msgstr "" +msgstr "Отправка задания в MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" From d9eb0e1f86b45fae72bbee769de689501d18bddd Mon Sep 17 00:00:00 2001 From: Ivanushka Date: Thu, 2 Nov 2023 20:40:46 +0000 Subject: [PATCH 110/186] Translated using Weblate (Russian) Currently translated at 28.2% (416 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index 36e1a87c67..77957fa024 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -17,7 +17,7 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2023-11-02 20:40+0000\n" +"PO-Revision-Date: 2023-11-03 21:33+0000\n" "Last-Translator: Ivanushka \n" "Language-Team: Russian \n" @@ -463,7 +463,7 @@ msgstr "Время Ожидания Отправки Задания" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." -msgstr "Avogadro отключился, ожидая ответа от MoleQueue." +msgstr "Время ожидания Avogadro истекло, ожидая ответа от MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format From df6075422ceea9eccd059b57e3da52368f72166a Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Fri, 3 Nov 2023 23:33:34 -0400 Subject: [PATCH 111/186] Add support for Hall number and space group to CJSON read/write Signed-off-by: Geoff Hutchison --- avogadro/io/cjsonformat.cpp | 14 ++++++++++++++ 1 file changed, 14 insertions(+) diff --git a/avogadro/io/cjsonformat.cpp b/avogadro/io/cjsonformat.cpp index 715d19ef9c..78e5fd686b 100644 --- a/avogadro/io/cjsonformat.cpp +++ b/avogadro/io/cjsonformat.cpp @@ -302,6 +302,16 @@ bool CjsonFormat::read(std::istream& file, Molecule& molecule) } if (unitCellObject != nullptr) molecule.setUnitCell(unitCellObject); + + // check for Hall number if present + if (unitCell["hallNumber"].is_number()) { + if (hallNumber > 0 && hallNumber < 531) + molecule.setHallNumber(static_cast(unitCell["hallNumber"])); + } else if (unitCell["spaceGroup"].is_string()) { + auto hallNumber = SpaceGroups::hallNumber(unitCell["spaceGroup"]); + if (hallNumber != -1 && hallNumber != 0) + molecule.setHallNumber(hallNumber); + } } json fractional = atoms["coords"]["3dFractional"]; @@ -699,6 +709,10 @@ bool CjsonFormat::write(std::ostream& file, const Molecule& molecule) vectors.push_back(molecule.unitCell()->cVector().z()); unitCell["cellVectors"] = vectors; + // write the Hall number and space group + unitCell["hallNumber"] = molecule.hallNumber(); + unitCell["spaceGroup"] = SpaceGroups::international(molecule.hallNumber()); + root["unitCell"] = unitCell; } From 3c2a2ce660f5512c8dcfc288c2dc2eae6c2c0082 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Fri, 3 Nov 2023 23:37:59 -0400 Subject: [PATCH 112/186] Fix compile error Signed-off-by: Geoff Hutchison --- avogadro/io/cjsonformat.cpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/avogadro/io/cjsonformat.cpp b/avogadro/io/cjsonformat.cpp index 78e5fd686b..b255ce1d02 100644 --- a/avogadro/io/cjsonformat.cpp +++ b/avogadro/io/cjsonformat.cpp @@ -305,8 +305,9 @@ bool CjsonFormat::read(std::istream& file, Molecule& molecule) // check for Hall number if present if (unitCell["hallNumber"].is_number()) { + auto hallNumber = static_cast(unitCell["hallNumber"]); if (hallNumber > 0 && hallNumber < 531) - molecule.setHallNumber(static_cast(unitCell["hallNumber"])); + molecule.setHallNumber(hallNumber); } else if (unitCell["spaceGroup"].is_string()) { auto hallNumber = SpaceGroups::hallNumber(unitCell["spaceGroup"]); if (hallNumber != -1 && hallNumber != 0) From cffad910a8d6566b1000fdf9785b1f9a53966cab Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Fri, 3 Nov 2023 23:38:54 -0400 Subject: [PATCH 113/186] Fix include Signed-off-by: Geoff Hutchison --- avogadro/io/cjsonformat.cpp | 1 + 1 file changed, 1 insertion(+) diff --git a/avogadro/io/cjsonformat.cpp b/avogadro/io/cjsonformat.cpp index b255ce1d02..2295082647 100644 --- a/avogadro/io/cjsonformat.cpp +++ b/avogadro/io/cjsonformat.cpp @@ -12,6 +12,7 @@ #include #include #include +#include #include #include From cd20098ab4de4d69fd6a300422125526a2354df6 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Fri, 3 Nov 2023 23:42:21 -0400 Subject: [PATCH 114/186] More fixes Signed-off-by: Geoff Hutchison --- avogadro/io/cjsonformat.cpp | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/avogadro/io/cjsonformat.cpp b/avogadro/io/cjsonformat.cpp index 2295082647..bc3b372e2a 100644 --- a/avogadro/io/cjsonformat.cpp +++ b/avogadro/io/cjsonformat.cpp @@ -310,8 +310,8 @@ bool CjsonFormat::read(std::istream& file, Molecule& molecule) if (hallNumber > 0 && hallNumber < 531) molecule.setHallNumber(hallNumber); } else if (unitCell["spaceGroup"].is_string()) { - auto hallNumber = SpaceGroups::hallNumber(unitCell["spaceGroup"]); - if (hallNumber != -1 && hallNumber != 0) + auto hallNumber = Core::SpaceGroups::hallNumber(unitCell["spaceGroup"]); + if (hallNumber != 0) molecule.setHallNumber(hallNumber); } } @@ -713,7 +713,8 @@ bool CjsonFormat::write(std::ostream& file, const Molecule& molecule) // write the Hall number and space group unitCell["hallNumber"] = molecule.hallNumber(); - unitCell["spaceGroup"] = SpaceGroups::international(molecule.hallNumber()); + unitCell["spaceGroup"] = + Core::SpaceGroups::international(molecule.hallNumber()); root["unitCell"] = unitCell; } From c26c95bdc913aa31baa25b59fa7a0af8f44c3f52 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Fri, 3 Nov 2023 23:49:33 -0400 Subject: [PATCH 115/186] Move code for shared use of the fragment dialog Signed-off-by: Geoff Hutchison --- avogadro/qtgui/CMakeLists.txt | 5 +++++ .../insertfragment => qtgui}/insertfragmentdialog.cpp | 3 +-- .../insertfragment => qtgui}/insertfragmentdialog.h | 0 .../insertfragment => qtgui}/insertfragmentdialog.ui | 0 .../insertfragment => qtgui}/sortfiltertreeproxymodel.cpp | 2 -- .../insertfragment => qtgui}/sortfiltertreeproxymodel.h | 0 avogadro/qtplugins/insertfragment/CMakeLists.txt | 3 +-- avogadro/qtplugins/insertfragment/insertfragment.cpp | 3 +-- 8 files changed, 8 insertions(+), 8 deletions(-) rename avogadro/{qtplugins/insertfragment => qtgui}/insertfragmentdialog.cpp (99%) rename avogadro/{qtplugins/insertfragment => qtgui}/insertfragmentdialog.h (100%) rename avogadro/{qtplugins/insertfragment => qtgui}/insertfragmentdialog.ui (100%) rename avogadro/{qtplugins/insertfragment => qtgui}/sortfiltertreeproxymodel.cpp (99%) rename avogadro/{qtplugins/insertfragment => qtgui}/sortfiltertreeproxymodel.h (100%) diff --git a/avogadro/qtgui/CMakeLists.txt b/avogadro/qtgui/CMakeLists.txt index dd8fda69c2..c49b733968 100644 --- a/avogadro/qtgui/CMakeLists.txt +++ b/avogadro/qtgui/CMakeLists.txt @@ -42,6 +42,7 @@ avogadro_headers(QtGui fileformatdialog.h generichighlighter.h hydrogentools.h + insertfragmentdialog.h interfacescript.h interfacewidget.h jsonwidget.h @@ -60,6 +61,7 @@ avogadro_headers(QtGui sceneplugin.h scenepluginmodel.h scriptloader.h + sortfiltertreeproxymodel.h toolplugin.h utilities.h viewfactory.h @@ -78,6 +80,7 @@ target_sources(QtGui PRIVATE fileformatdialog.cpp generichighlighter.cpp hydrogentools.cpp + insertfragmentdialog.cpp interfacescript.cpp interfacewidget.cpp jsonwidget.cpp @@ -95,6 +98,7 @@ target_sources(QtGui PRIVATE sceneplugin.cpp scenepluginmodel.cpp scriptloader.cpp + sortfiltertreeproxymodel.cpp toolplugin.cpp utilities.cpp viewfactory.cpp @@ -102,6 +106,7 @@ target_sources(QtGui PRIVATE set(UIS customelementdialog.ui + insertfragmentdialog.ui ) qt_wrap_ui(UI_SOURCES ${UIS}) target_sources(QtGui PRIVATE ${UI_SOURCES}) diff --git a/avogadro/qtplugins/insertfragment/insertfragmentdialog.cpp b/avogadro/qtgui/insertfragmentdialog.cpp similarity index 99% rename from avogadro/qtplugins/insertfragment/insertfragmentdialog.cpp rename to avogadro/qtgui/insertfragmentdialog.cpp index c9e9962f2b..177937a85a 100644 --- a/avogadro/qtplugins/insertfragment/insertfragmentdialog.cpp +++ b/avogadro/qtgui/insertfragmentdialog.cpp @@ -14,9 +14,8 @@ ******************************************************************************/ -#include "insertfragmentdialog.h" #include "ui_insertfragmentdialog.h" - +#include "insertfragmentdialog.h" #include "sortfiltertreeproxymodel.h" #include diff --git a/avogadro/qtplugins/insertfragment/insertfragmentdialog.h b/avogadro/qtgui/insertfragmentdialog.h similarity index 100% rename from avogadro/qtplugins/insertfragment/insertfragmentdialog.h rename to avogadro/qtgui/insertfragmentdialog.h diff --git a/avogadro/qtplugins/insertfragment/insertfragmentdialog.ui b/avogadro/qtgui/insertfragmentdialog.ui similarity index 100% rename from avogadro/qtplugins/insertfragment/insertfragmentdialog.ui rename to avogadro/qtgui/insertfragmentdialog.ui diff --git a/avogadro/qtplugins/insertfragment/sortfiltertreeproxymodel.cpp b/avogadro/qtgui/sortfiltertreeproxymodel.cpp similarity index 99% rename from avogadro/qtplugins/insertfragment/sortfiltertreeproxymodel.cpp rename to avogadro/qtgui/sortfiltertreeproxymodel.cpp index 94f2845b8f..89456ad5ad 100644 --- a/avogadro/qtplugins/insertfragment/sortfiltertreeproxymodel.cpp +++ b/avogadro/qtgui/sortfiltertreeproxymodel.cpp @@ -5,8 +5,6 @@ #include "sortfiltertreeproxymodel.h" -#include - namespace Avogadro { // Custom class for Avogadro to handle filtering files diff --git a/avogadro/qtplugins/insertfragment/sortfiltertreeproxymodel.h b/avogadro/qtgui/sortfiltertreeproxymodel.h similarity index 100% rename from avogadro/qtplugins/insertfragment/sortfiltertreeproxymodel.h rename to avogadro/qtgui/sortfiltertreeproxymodel.h diff --git a/avogadro/qtplugins/insertfragment/CMakeLists.txt b/avogadro/qtplugins/insertfragment/CMakeLists.txt index c67f35a406..3484257ca9 100644 --- a/avogadro/qtplugins/insertfragment/CMakeLists.txt +++ b/avogadro/qtplugins/insertfragment/CMakeLists.txt @@ -5,8 +5,7 @@ avogadro_plugin(InsertFragment ExtensionPlugin insertfragment.h InsertFragment - "insertfragment.cpp;insertfragmentdialog.cpp;sortfiltertreeproxymodel.cpp" - "insertfragmentdialog.ui" + insertfragment.cpp ) # Install the fragments & crystals diff --git a/avogadro/qtplugins/insertfragment/insertfragment.cpp b/avogadro/qtplugins/insertfragment/insertfragment.cpp index 99b6f5e58d..123c9e3c8a 100644 --- a/avogadro/qtplugins/insertfragment/insertfragment.cpp +++ b/avogadro/qtplugins/insertfragment/insertfragment.cpp @@ -4,7 +4,7 @@ ******************************************************************************/ #include "insertfragment.h" -#include "insertfragmentdialog.h" +#include #include #include @@ -13,7 +13,6 @@ #include #include -#include #include #include From ce9073f0e7418fcd136fff306aa3da8fd6e87928 Mon Sep 17 00:00:00 2001 From: Anna Malinovskaia Date: Thu, 2 Nov 2023 20:34:10 +0000 Subject: [PATCH 116/186] Translated using Weblate (Russian) Currently translated at 25.7% (379 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index cb91463ed6..f7f68bd576 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -6,7 +6,7 @@ # Yuri Kozlov , 2011. # Artem , 2020. # koffevar , 2020. -# Anna Malinovskaia , 2021, 2022. +# Anna Malinovskaia , 2021, 2022, 2023. # Alex Brohovsky , 2021. # МАН69К , 2022. # Kateryna Golovanvoa , 2022. @@ -16,8 +16,8 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2023-04-17 02:51+0000\n" -"Last-Translator: Oleg Shparber \n" +"PO-Revision-Date: 2023-11-02 20:34+0000\n" +"Last-Translator: Anna Malinovskaia \n" "Language-Team: Russian \n" "Language: ru\n" @@ -26,7 +26,7 @@ msgstr "" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=n%10==1 && n%100!=11 ? 0 : n%10>=2 && " "n%10<=4 && (n%100<10 || n%100>=20) ? 1 : 2;\n" -"X-Generator: Weblate 4.17-dev\n" +"X-Generator: Weblate 5.2-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:70 @@ -91,7 +91,7 @@ msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." -msgstr "" +msgstr "элемент \"файлы\" не является массивом." #: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." From df570fee43eb9cc75c05a1b3879bee1583996351 Mon Sep 17 00:00:00 2001 From: Ivanushka Date: Thu, 2 Nov 2023 20:33:34 +0000 Subject: [PATCH 117/186] Translated using Weblate (Russian) Currently translated at 25.7% (379 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 13 ++++++++----- 1 file changed, 8 insertions(+), 5 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index f7f68bd576..394f76b6c4 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -11,13 +11,14 @@ # МАН69К , 2022. # Kateryna Golovanvoa , 2022. # Oleg Shparber , 2023. +# Ivanushka , 2023. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-11-02 20:34+0000\n" -"Last-Translator: Anna Malinovskaia \n" +"Last-Translator: Ivanushka \n" "Language-Team: Russian \n" "Language: ru\n" @@ -32,7 +33,7 @@ msgstr "" #: molequeue/batchjob.cpp:70 #, qt-format msgid "Batch Job #%L1 (%2)" -msgstr "" +msgstr "Фоновое задание #%L1 (%2)" #: molequeue/client/client.cpp:244 msgid "No message specified." @@ -52,12 +53,12 @@ msgstr "" #: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 #: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." -msgstr "" +msgstr "Возвращено нестроковое предупреждение." #: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 #: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." -msgstr "" +msgstr "элемент 'предупрежден' не является массивом." #: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format @@ -74,6 +75,8 @@ msgstr "Ошибка заполнения файла %1: %2" msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" +"Файл '%1' имеет неверное содержание. Отсутствует элементы строки 'contents' " +"или 'filePath'." #: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format @@ -2859,7 +2862,7 @@ msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" -msgstr "Не удалось загрузить из сети" +msgstr "Сетевой сбой при загрузке" #: qtplugins/fetchpdb/fetchpdb.cpp:105 #: qtplugins/networkdatabases/networkdatabases.cpp:100 From a54bb3b0fd865d3287a2c88f30b9f17a976880c2 Mon Sep 17 00:00:00 2001 From: Ivanushka Date: Thu, 2 Nov 2023 20:34:19 +0000 Subject: [PATCH 118/186] Translated using Weblate (Russian) Currently translated at 26.0% (384 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index 394f76b6c4..f9600cb01f 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -17,7 +17,7 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2023-11-02 20:34+0000\n" +"PO-Revision-Date: 2023-11-02 20:36+0000\n" "Last-Translator: Ivanushka \n" "Language-Team: Russian \n" @@ -94,7 +94,7 @@ msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." -msgstr "элемент \"файлы\" не является массивом." +msgstr "элемент 'файлы' не является массивом." #: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." From 623b6b7b244750e6da0e3421385a7a9c542f511b Mon Sep 17 00:00:00 2001 From: Anna Malinovskaia Date: Thu, 2 Nov 2023 20:35:00 +0000 Subject: [PATCH 119/186] Translated using Weblate (Russian) Currently translated at 26.0% (384 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 29 ++++++++++++++++++++++++++++- 1 file changed, 28 insertions(+), 1 deletion(-) diff --git a/i18n/ru.po b/i18n/ru.po index f9600cb01f..b1571906df 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -18,7 +18,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-11-02 20:36+0000\n" -"Last-Translator: Ivanushka \n" +"Last-Translator: Anna Malinovskaia \n" "Language-Team: Russian \n" "Language: ru\n" @@ -118,6 +118,8 @@ msgid "" "Script output:\n" "%1" msgstr "" +"Вывод сценария:\n" +"%1" #: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format @@ -127,6 +129,10 @@ msgid "" "\n" "%3" msgstr "" +"Ошибка синтаксического анализа при смещении %L1: \"%2\"\n" +"Необработанный JSON:\n" +"\n" +"%3" #: molequeue/inputgenerator.cpp:350 #, qt-format @@ -150,6 +156,11 @@ msgid "" "\n" "%3" msgstr "" +"Ошибка создания объекта cjson: Ошибка синтаксического анализа при смещении " +"%1: %2\n" +"Необработанный JSON:\n" +"\n" +"%3" #: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format @@ -157,6 +168,9 @@ msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" +"Генератор ошибок Объект cjson: Проанализированный JSON не является объектом:" +"\n" +"%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" @@ -211,7 +225,20 @@ msgid_plural "" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" +"Следующие файлы были изменены:\n" +"\n" +"%1\n" +"\n" +"Хотели бы вы перезаписать свои изменения, чтобы отразить новую геометрию или " +"параметры задания?" msgstr[1] "" +"Следующие файлы были изменены:\n" +"\n" +"%1\n" +"\n" +"Хотели бы вы перезаписать свои изменения, чтобы отразить новую геометрию или " +"параметры задания?" +msgstr[2] "" #: molequeue/inputgeneratorwidget.cpp:162 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 From 0a92dc46e0cf912eead0ad4fe63497ca5a03794b Mon Sep 17 00:00:00 2001 From: Anna Malinovskaia Date: Thu, 2 Nov 2023 20:37:26 +0000 Subject: [PATCH 120/186] Translated using Weblate (Russian) Currently translated at 26.5% (391 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 16 ++++++++++------ 1 file changed, 10 insertions(+), 6 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index b1571906df..1b0620e32a 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -17,7 +17,7 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2023-11-02 20:36+0000\n" +"PO-Revision-Date: 2023-11-02 20:37+0000\n" "Last-Translator: Anna Malinovskaia \n" "Language-Team: Russian \n" @@ -84,6 +84,8 @@ msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" +"Неверная запись в файле: имя файла/содержимое отсутствует или нет строк:\n" +"%1" #: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format @@ -102,7 +104,7 @@ msgstr "отсутствует элемент \"файлы\"." #: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." -msgstr "" +msgstr "Элемент \"mainFile\" не ссылается на запись в разделе \"файлы\"." #: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." @@ -244,22 +246,22 @@ msgstr[2] "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" -msgstr "" +msgstr "Перезаписать измененные входные файлы?" #: molequeue/inputgeneratorwidget.cpp:188 msgid "Problems occurred during input generation:" -msgstr "" +msgstr "Проблемы, возникшие во время генерации входных данных:" #: molequeue/inputgeneratorwidget.cpp:277 msgid "No input files to save!" -msgstr "" +msgstr "Нет входных файлов для сохранения!" #: molequeue/inputgeneratorwidget.cpp:285 #: molequeue/inputgeneratorwidget.cpp:593 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:685 msgid "Cannot connect to MoleQueue" -msgstr "" +msgstr "Не удается подключиться к MoleQueue" #: molequeue/inputgeneratorwidget.cpp:286 #: molequeue/inputgeneratorwidget.cpp:594 molequeue/molequeuewidget.cpp:70 @@ -269,6 +271,8 @@ msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" +"Не удается подключиться к серверу MoleQueue. Пожалуйста, убедитесь, что он " +"работает, и повторите попытку." #: molequeue/inputgeneratorwidget.cpp:317 #, qt-format From 8fc80acd8f965fddb7296dd6b22d895068bd0b3d Mon Sep 17 00:00:00 2001 From: Ivanushka Date: Thu, 2 Nov 2023 20:36:19 +0000 Subject: [PATCH 121/186] Translated using Weblate (Russian) Currently translated at 26.5% (391 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 12 +++++++++--- 1 file changed, 9 insertions(+), 3 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index 1b0620e32a..842fefea7a 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -18,7 +18,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-11-02 20:37+0000\n" -"Last-Translator: Anna Malinovskaia \n" +"Last-Translator: Ivanushka \n" "Language-Team: Russian \n" "Language: ru\n" @@ -227,20 +227,26 @@ msgid_plural "" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" -"Следующие файлы были изменены:\n" +"Следующие файл(ы) были изменены:\n" "\n" "%1\n" "\n" "Хотели бы вы перезаписать свои изменения, чтобы отразить новую геометрию или " "параметры задания?" msgstr[1] "" -"Следующие файлы были изменены:\n" +"Следующие файл(ы) были изменены:\n" "\n" "%1\n" "\n" "Хотели бы вы перезаписать свои изменения, чтобы отразить новую геометрию или " "параметры задания?" msgstr[2] "" +"Следующие файл(ы) были изменены:\n" +"\n" +"%1\n" +"\n" +"Хотели бы вы перезаписать свои изменения, чтобы отразить новую геометрию или " +"параметры задания?" #: molequeue/inputgeneratorwidget.cpp:162 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 From 8c83e0926fac0dfda70856d03ba57484cde41119 Mon Sep 17 00:00:00 2001 From: Anna Malinovskaia Date: Thu, 2 Nov 2023 20:38:02 +0000 Subject: [PATCH 122/186] Translated using Weblate (Russian) Currently translated at 26.8% (396 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index 842fefea7a..a6c3bdea3c 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -17,8 +17,8 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2023-11-02 20:37+0000\n" -"Last-Translator: Ivanushka \n" +"PO-Revision-Date: 2023-11-02 20:38+0000\n" +"Last-Translator: Anna Malinovskaia \n" "Language-Team: Russian \n" "Language: ru\n" @@ -283,27 +283,27 @@ msgstr "" #: molequeue/inputgeneratorwidget.cpp:317 #, qt-format msgid "Submit %1 Calculation" -msgstr "" +msgstr "Отправить Расчет %1" #: molequeue/inputgeneratorwidget.cpp:333 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1013 #: qtplugins/gamessinput/gamessinputdialog.cpp:722 msgid "Job Failed" -msgstr "" +msgstr "Задание не выполнено" #: molequeue/inputgeneratorwidget.cpp:334 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1014 #: qtplugins/gamessinput/gamessinputdialog.cpp:723 msgid "The job did not complete successfully." -msgstr "" +msgstr "Работа не была завершена успешно." #: molequeue/inputgeneratorwidget.cpp:351 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" -msgstr "" +msgstr "Скрипт возвращает предупреждения:\n" #: molequeue/inputgeneratorwidget.cpp:368 msgid "Hide &Warnings" -msgstr "" +msgstr "Скрыть и Предупреждения" #: molequeue/inputgeneratorwidget.cpp:374 msgid "Show &Warnings" From 419213c7526f4ece515eb2faa6bb87d1952b3a7d Mon Sep 17 00:00:00 2001 From: Ivanushka Date: Thu, 2 Nov 2023 20:37:48 +0000 Subject: [PATCH 123/186] Translated using Weblate (Russian) Currently translated at 26.8% (396 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index a6c3bdea3c..2b6ed1a30e 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -18,7 +18,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-11-02 20:38+0000\n" -"Last-Translator: Anna Malinovskaia \n" +"Last-Translator: Ivanushka \n" "Language-Team: Russian \n" "Language: ru\n" @@ -104,7 +104,7 @@ msgstr "отсутствует элемент \"файлы\"." #: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." -msgstr "Элемент \"mainFile\" не ссылается на запись в разделе \"файлы\"." +msgstr "Элемент 'mainFile' не ссылается на запись в разделе 'файлы'." #: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." From f8312d13a01570d8b2b37781dfa86452979dd276 Mon Sep 17 00:00:00 2001 From: Ivanushka Date: Thu, 2 Nov 2023 20:38:11 +0000 Subject: [PATCH 124/186] Translated using Weblate (Russian) Currently translated at 26.9% (397 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/i18n/ru.po b/i18n/ru.po index 2b6ed1a30e..da04b95078 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -303,7 +303,7 @@ msgstr "Скрипт возвращает предупреждения:\n" #: molequeue/inputgeneratorwidget.cpp:368 msgid "Hide &Warnings" -msgstr "Скрыть и Предупреждения" +msgstr "Скрыть &предупреждения" #: molequeue/inputgeneratorwidget.cpp:374 msgid "Show &Warnings" From 021c5605b8fbcce470b3e4a3f79f6bef8cf8e683 Mon Sep 17 00:00:00 2001 From: Anna Malinovskaia Date: Thu, 2 Nov 2023 20:38:16 +0000 Subject: [PATCH 125/186] Translated using Weblate (Russian) Currently translated at 26.9% (397 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index da04b95078..536aef871e 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -18,7 +18,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-11-02 20:38+0000\n" -"Last-Translator: Ivanushka \n" +"Last-Translator: Anna Malinovskaia \n" "Language-Team: Russian \n" "Language: ru\n" @@ -307,7 +307,7 @@ msgstr "Скрыть &предупреждения" #: molequeue/inputgeneratorwidget.cpp:374 msgid "Show &Warnings" -msgstr "" +msgstr "Показывать и Предупреждения" #: molequeue/inputgeneratorwidget.cpp:391 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" From bb004245c90e2061c485f0e2927e65f6229b4266 Mon Sep 17 00:00:00 2001 From: Anna Malinovskaia Date: Thu, 2 Nov 2023 20:38:34 +0000 Subject: [PATCH 126/186] Translated using Weblate (Russian) Currently translated at 27.1% (400 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index 536aef871e..a5d55b307e 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -311,16 +311,17 @@ msgstr "Показывать и Предупреждения" #: molequeue/inputgeneratorwidget.cpp:391 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" -msgstr "" +msgstr "Произошла ошибка:" #: molequeue/inputgeneratorwidget.cpp:442 msgid "Select output filename" -msgstr "" +msgstr "Выберите выходное имя файла" #: molequeue/inputgeneratorwidget.cpp:454 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" +"Внутренняя ошибка: не удалось найти текстовый виджет для имени файла \"%1\"" #: molequeue/inputgeneratorwidget.cpp:470 #: molequeue/inputgeneratorwidget.cpp:581 From 1dd92d589b1fe607958959b5b3babb5f65c404f1 Mon Sep 17 00:00:00 2001 From: Ivanushka Date: Thu, 2 Nov 2023 20:38:23 +0000 Subject: [PATCH 127/186] Translated using Weblate (Russian) Currently translated at 27.1% (400 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index a5d55b307e..b1e18f2350 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -18,7 +18,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-11-02 20:38+0000\n" -"Last-Translator: Anna Malinovskaia \n" +"Last-Translator: Ivanushka \n" "Language-Team: Russian \n" "Language: ru\n" @@ -307,7 +307,7 @@ msgstr "Скрыть &предупреждения" #: molequeue/inputgeneratorwidget.cpp:374 msgid "Show &Warnings" -msgstr "Показывать и Предупреждения" +msgstr "Показывать &предупреждения" #: molequeue/inputgeneratorwidget.cpp:391 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" From 3e4f8733f49a1b8c4ec7fbe96c6f11855116447b Mon Sep 17 00:00:00 2001 From: Anna Malinovskaia Date: Thu, 2 Nov 2023 20:39:24 +0000 Subject: [PATCH 128/186] Translated using Weblate (Russian) Currently translated at 28.2% (416 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 43 +++++++++++++++++++++++++++++-------------- 1 file changed, 29 insertions(+), 14 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index b1e18f2350..5bbdf10ee3 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -17,8 +17,8 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2023-11-02 20:38+0000\n" -"Last-Translator: Ivanushka \n" +"PO-Revision-Date: 2023-11-02 20:40+0000\n" +"Last-Translator: Anna Malinovskaia \n" "Language-Team: Russian \n" "Language: ru\n" @@ -334,7 +334,7 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" -msgstr "" +msgstr "Ошибка Вывода" #: molequeue/inputgeneratorwidget.cpp:471 #: molequeue/inputgeneratorwidget.cpp:582 @@ -346,27 +346,27 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." -msgstr "" +msgstr "Не удалось выполнить запись в файл %1." #: molequeue/inputgeneratorwidget.cpp:482 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" -msgstr "" +msgstr "Выберите директорию вывода" #: molequeue/inputgeneratorwidget.cpp:499 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" -msgstr "" +msgstr "%1: Каталог не существует!" #: molequeue/inputgeneratorwidget.cpp:505 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" -msgstr "" +msgstr "%1: Каталог не может быть прочитан!" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 @@ -375,7 +375,7 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." -msgstr "" +msgstr "%1: Файл будет перезаписан." #: molequeue/inputgeneratorwidget.cpp:520 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 @@ -384,13 +384,13 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." -msgstr "" +msgstr "%1: Файл недоступен для записи." #: molequeue/inputgeneratorwidget.cpp:533 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." -msgstr "" +msgstr "Входные файлы не могут быть записаны из-за неизвестной ошибки." #: molequeue/inputgeneratorwidget.cpp:537 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 @@ -401,6 +401,9 @@ msgid "" "\n" "%1" msgstr "" +"Входные файлы не могут быть записаны:\n" +"\n" +"%1" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 @@ -415,6 +418,13 @@ msgid "" "\n" "%2" msgstr "" +"Входные файлы не могут быть записаны:\n" +"\n" +"%1\n" +"\n" +"Предупреждения:\n" +"\n" +"%2" #: molequeue/inputgeneratorwidget.cpp:557 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 @@ -427,16 +437,21 @@ msgid "" "\n" "Would you like to continue?" msgstr "" +"Предупреждение:\n" +"\n" +"%1\n" +"\n" +"Вы хотели бы продолжить?" #: molequeue/inputgeneratorwidget.cpp:561 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" -msgstr "" +msgstr "Запись входных файлов" #: molequeue/inputgeneratorwidget.cpp:608 msgid "Configure Job" -msgstr "" +msgstr "Настройка Задания" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" @@ -444,11 +459,11 @@ msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" -msgstr "" +msgstr "Время Ожидания Отправки Задания" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." -msgstr "" +msgstr "Avogadro отключился, ожидая ответа от MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format From 37442647b32032a6bbc40bebbf61558476f0afa6 Mon Sep 17 00:00:00 2001 From: Ivanushka Date: Thu, 2 Nov 2023 20:38:47 +0000 Subject: [PATCH 129/186] Translated using Weblate (Russian) Currently translated at 28.2% (416 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index 5bbdf10ee3..36e1a87c67 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -18,7 +18,7 @@ msgstr "" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" "PO-Revision-Date: 2023-11-02 20:40+0000\n" -"Last-Translator: Anna Malinovskaia \n" +"Last-Translator: Ivanushka \n" "Language-Team: Russian \n" "Language: ru\n" @@ -321,7 +321,7 @@ msgstr "Выберите выходное имя файла" #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" -"Внутренняя ошибка: не удалось найти текстовый виджет для имени файла \"%1\"" +"Внутренняя ошибка: не удалось найти текстовый виджет для имени файла '%1'" #: molequeue/inputgeneratorwidget.cpp:470 #: molequeue/inputgeneratorwidget.cpp:581 @@ -455,7 +455,7 @@ msgstr "Настройка Задания" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" -msgstr "" +msgstr "Отправка задания в MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" From d3ba8bc9a3b3153509bfa43dffd98b476be62a88 Mon Sep 17 00:00:00 2001 From: Ivanushka Date: Thu, 2 Nov 2023 20:40:46 +0000 Subject: [PATCH 130/186] Translated using Weblate (Russian) Currently translated at 28.2% (416 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ru/ --- i18n/ru.po | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/i18n/ru.po b/i18n/ru.po index 36e1a87c67..77957fa024 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -17,7 +17,7 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2023-11-02 20:40+0000\n" +"PO-Revision-Date: 2023-11-03 21:33+0000\n" "Last-Translator: Ivanushka \n" "Language-Team: Russian \n" @@ -463,7 +463,7 @@ msgstr "Время Ожидания Отправки Задания" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." -msgstr "Avogadro отключился, ожидая ответа от MoleQueue." +msgstr "Время ожидания Avogadro истекло, ожидая ответа от MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format From 1ebf20d6dcdd84611fd1f0f807e43468ac336682 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 13 Nov 2023 10:11:01 -0500 Subject: [PATCH 131/186] Fixup PDB reading with non-standard MD files (no element column) Also adjust "select water" to better handle bonds to extra sites (e.g., H-O-H plus extra atom for water model) Signed-off-by: Geoff Hutchison --- avogadro/io/pdbformat.cpp | 15 ++++++-- avogadro/qtplugins/select/select.cpp | 55 +++++++++++++++++++--------- 2 files changed, 50 insertions(+), 20 deletions(-) diff --git a/avogadro/io/pdbformat.cpp b/avogadro/io/pdbformat.cpp index d3f7e6aacc..6f31201592 100644 --- a/avogadro/io/pdbformat.cpp +++ b/avogadro/io/pdbformat.cpp @@ -15,6 +15,7 @@ #include #include +#include #include using Avogadro::Core::Array; @@ -139,7 +140,7 @@ bool PdbFormat::read(std::istream& in, Core::Molecule& mol) auto altLoc = lexicalCast(buffer.substr(16, 1), ok); string element; // Element symbol, right justified - unsigned char atomicNum; + unsigned char atomicNum = 255; if (buffer.size() >= 78) { element = buffer.substr(76, 2); element = trimmed(element); @@ -151,12 +152,20 @@ bool PdbFormat::read(std::istream& in, Core::Molecule& mol) atomicNum = Elements::atomicNumberFromSymbol(element); if (atomicNum == 255) appendError("Invalid element"); - } else { + } + + if (atomicNum == 255) { // non-standard or old-school PDB file - try to parse the atom name element = trimmed(atomName); + // remove any trailing digits + while (element.size() && std::isdigit(element.back())) + element.pop_back(); + atomicNum = Elements::atomicNumberFromSymbol(element); - if (atomicNum == 255) + if (atomicNum == 255) { appendError("Invalid element"); + continue; // skip this invalid record + } } if (altLoc.compare("") && altLoc.compare("A")) { diff --git a/avogadro/qtplugins/select/select.cpp b/avogadro/qtplugins/select/select.cpp index eba27a9c32..d4987c1fea 100644 --- a/avogadro/qtplugins/select/select.cpp +++ b/avogadro/qtplugins/select/select.cpp @@ -11,11 +11,11 @@ #include #include +#include #include #include #include #include -#include #include #include @@ -181,7 +181,8 @@ void Select::selectElement(int element) for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (m_molecule->atomicNumber(i) == element) { - m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); + m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), + undoText); } else m_molecule->undoMolecule()->setAtomSelected(i, false, undoText); } @@ -223,22 +224,33 @@ void Select::selectWater() } else if (atomicNumber == 1) { // check if it's attached to a water oxygen auto bonds = m_molecule->bonds(i); - if (bonds.size() != 1 || !isWaterOxygen(bonds[0].getOtherAtom(i).index())) - m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(false, i), undoText); - else - m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); + bool isWater = false; + // check the bonds for a water oxygen + for (auto& bond : bonds) { + if (isWaterOxygen(bond.getOtherAtom(i).index())) { + m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), + undoText); + isWater = true; + break; + } + } + if (!isWater) + m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(false, i), + undoText); continue; } - m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(false, i), undoText); + m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(false, i), + undoText); } // also select water residues (which may be isolated "O" atoms) for (const auto& residue : m_molecule->residues()) { if (residue.residueName() == "HOH") { for (auto atom : residue.residueAtoms()) { Index i = atom.index(); - m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); + m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), + undoText); } } } @@ -258,7 +270,8 @@ void Select::selectBackboneAtoms() auto name = residue.getAtomName(atom); if (name == "CA" || name == "C" || name == "N" || name == "O") { Index i = atom.index(); - m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); + m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), + undoText); } // also select hydrogens connected to the backbone atoms @@ -270,7 +283,8 @@ void Select::selectBackboneAtoms() if (otherName == "CA" || otherName == "C" || otherName == "N" || otherName == "O") { Index i = atom.index(); - m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); + m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), + undoText); } } } @@ -292,7 +306,8 @@ void Select::selectSidechainAtoms() auto name = residue.getAtomName(atom); if (name != "CA" && name != "C" && name != "N" && name != "O") { Index i = atom.index(); - m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); + m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), + undoText); } // or is it a hydrogen connected to a backbone atom? @@ -305,7 +320,8 @@ void Select::selectSidechainAtoms() if (otherName == "CA" || otherName == "C" || otherName == "N" || otherName == "O") { Index i = atom.index(); - m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(false, i), undoText); + m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(false, i), + undoText); } } } @@ -357,7 +373,8 @@ void Select::enlargeSelection() Vector3 displacement = m_molecule->atomPosition3d(i) - center; Real distance = displacement.squaredNorm(); if (distance < maxDistance) { - m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); + m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), + undoText); } } } @@ -391,9 +408,11 @@ void Select::shrinkSelection() Vector3 displacement = m_molecule->atomPosition3d(i) - center; Real distance = displacement.squaredNorm(); if (distance < maxDistance) - m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); + m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), + undoText); else - m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(false, i), undoText); + m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(false, i), + undoText); } m_molecule->emitChanged(Molecule::Atoms); @@ -425,13 +444,15 @@ void Select::selectAtomIndex() int last = range.back().toInt(&ok2); if (ok1 && ok2) { for (int i = start; i <= last; ++i) - m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); + m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), + undoText); } } } else { int i = item.toInt(&ok); if (ok) - m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); + m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), + undoText); } } From f86f97f9c9cb77cbcabc737fd638b98f117c5c28 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 13 Nov 2023 10:27:51 -0500 Subject: [PATCH 132/186] Fix atomic numbers from Orca - it would read electrons not symbols Thanks to the forum https://discuss.avogadro.cc/t/avogadro-1-98-reads-zinc-as-calcium/4978 Signed-off-by: Geoff Hutchison --- avogadro/quantumio/orca.cpp | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/avogadro/quantumio/orca.cpp b/avogadro/quantumio/orca.cpp index 8578236e74..83105b3ae1 100644 --- a/avogadro/quantumio/orca.cpp +++ b/avogadro/quantumio/orca.cpp @@ -249,7 +249,9 @@ void ORCAOutput::processLine(std::istream& in, GaussianSet* basis) Core::lexicalCast(list[6]) * m_coordFactor, Core::lexicalCast(list[7]) * m_coordFactor); - m_atomNums.push_back(Core::lexicalCast(list[2])); + unsigned char atomicNum = + Core::Elements::atomicNumberFromSymbol(Core::trimmed(list[1])); + m_atomNums.push_back(atomicNum); m_atomPos.push_back(pos); m_atomLabel.push_back(Core::trimmed(list[1])); getline(in, key); From eaeaaccc08fd44f99c6e0324fc4bdd436b4e10ad Mon Sep 17 00:00:00 2001 From: research11111 Date: Sun, 5 Nov 2023 11:13:00 +0000 Subject: [PATCH 133/186] Translated using Weblate (French) Currently translated at 87.0% (1282 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/fr/ --- i18n/fr.po | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/i18n/fr.po b/i18n/fr.po index 074b9215ef..ac065511f8 100644 --- a/i18n/fr.po +++ b/i18n/fr.po @@ -4,13 +4,14 @@ # Pa , 2021. # Translator , 2022, 2023. # Norwid Behrnd , 2023. +# research11111 , 2023. msgid "" msgstr "" "Project-Id-Version: PACKAGE VERSION\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2023-10-13 13:02+0000\n" -"Last-Translator: Norwid Behrnd \n" +"PO-Revision-Date: 2023-11-06 11:35+0000\n" +"Last-Translator: research11111 \n" "Language-Team: French \n" "Language: fr\n" @@ -18,7 +19,7 @@ msgstr "" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n > 1;\n" -"X-Generator: Weblate 5.1-dev\n" +"X-Generator: Weblate 5.2-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:70 @@ -3358,7 +3359,7 @@ msgstr "Aucune description trouvée !" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" -msgstr "" +msgstr "Lecteur de format sur une ligne non trouvé !" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." From b3b1236a1f8773dab267e595720935802cb63dc0 Mon Sep 17 00:00:00 2001 From: matterhorn103 Date: Tue, 7 Nov 2023 18:19:29 +0000 Subject: [PATCH 134/186] Translated using Weblate (English (United Kingdom)) Currently translated at 100.0% (1473 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/en_GB/ --- i18n/en_GB.po | 2569 ++++++++++++++++++++++--------------------------- 1 file changed, 1151 insertions(+), 1418 deletions(-) diff --git a/i18n/en_GB.po b/i18n/en_GB.po index 8b4ab78fc6..f0562530e8 100644 --- a/i18n/en_GB.po +++ b/i18n/en_GB.po @@ -5,13 +5,14 @@ # J. Lavoie , 2021. # ovari , 2022. # Geoff Hutchison , 2023. +# matterhorn103 , 2023. msgid "" msgstr "" "Project-Id-Version: _avogadro-en_GB\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2023-04-17 02:51+0000\n" -"Last-Translator: Geoff Hutchison \n" +"PO-Revision-Date: 2023-11-08 19:34+0000\n" +"Last-Translator: matterhorn103 \n" "Language-Team: English (United Kingdom) \n" "Language: en_GB\n" @@ -19,17 +20,17 @@ msgstr "" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" -"X-Generator: Weblate 4.17-dev\n" +"X-Generator: Weblate 5.2-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:70 #, qt-format msgid "Batch Job #%L1 (%2)" -msgstr "" +msgstr "Batch Job #%L1 (%2)" #: molequeue/client/client.cpp:244 msgid "No message specified." -msgstr "" +msgstr "No message specified." #: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format @@ -38,32 +39,36 @@ msgid "" "Received:\n" "%1" msgstr "" +"script --print-options output must be an JSON object at top level. Received:" +"\n" +"%1" #: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 #: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." -msgstr "" +msgstr "Non-string warning returned." #: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 #: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." -msgstr "" +msgstr "'warnings' member is not an array." #: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." -msgstr "" +msgstr "Reference file '%1' does not exist." #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" -msgstr "" +msgstr "Error populating file %1: %2" #: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" +"File '%1' poorly formed. Missing string 'contents' or 'filePath' members." #: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format @@ -71,31 +76,33 @@ msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" +"Malformed file entry: filename/contents missing or not strings:\n" +"%1" #: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." -msgstr "" +msgstr "Malformed file entry at index %1: Not an object." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." -msgstr "" +msgstr "'files' member not an array." #: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." -msgstr "" +msgstr "'files' member missing." #: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." -msgstr "" +msgstr "'mainFile' member does not refer to an entry in 'files'." #: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." -msgstr "" +msgstr "'mainFile' member must be a string." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." -msgstr "" +msgstr "Response must be a JSON object at top-level." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format @@ -103,6 +110,8 @@ msgid "" "Script output:\n" "%1" msgstr "" +"Script output:\n" +"%1" #: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format @@ -112,18 +121,23 @@ msgid "" "\n" "%3" msgstr "" +"Parse error at offset %L1: '%2'\n" +"Raw JSON:\n" +"\n" +"%3" #: molequeue/inputgenerator.cpp:350 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" +"Error saving molecule representation to string: Unrecognized file format: %1" #: molequeue/inputgenerator.cpp:358 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" -msgstr "" +msgstr "Error saving molecule representation to string: %1" #: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format @@ -133,6 +147,10 @@ msgid "" "\n" "%3" msgstr "" +"Error generating cjson object: Parse error at offset %1: %2\n" +"Raw JSON:\n" +"\n" +"%3" #: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format @@ -140,15 +158,17 @@ msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" +"Error generator cjson object: Parsed JSON is not an object:\n" +"%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" -msgstr "" +msgstr "Input Generator (error)" #: molequeue/inputgeneratordialog.cpp:43 -#, fuzzy, qt-format +#, qt-format msgid "%1 Input Generator" -msgstr "Input Generator..." +msgstr "%1 Input Generator" #: molequeue/inputgeneratorwidget.cpp:114 msgid "Continue" @@ -194,28 +214,40 @@ msgid_plural "" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" +"The following file(s) have been modified:\n" +"\n" +"%1\n" +"\n" +"Would you like to overwrite your changes to reflect the new geometry or job " +"options?" msgstr[1] "" +"The following file(s) have been modified:\n" +"\n" +"%1\n" +"\n" +"Would you like to overwrite your changes to reflect the new geometry or job " +"options?" #: molequeue/inputgeneratorwidget.cpp:162 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" -msgstr "" +msgstr "Overwrite modified input files?" #: molequeue/inputgeneratorwidget.cpp:188 msgid "Problems occurred during input generation:" -msgstr "" +msgstr "Problems occurred during input generation:" #: molequeue/inputgeneratorwidget.cpp:277 msgid "No input files to save!" -msgstr "" +msgstr "No input files to save!" #: molequeue/inputgeneratorwidget.cpp:285 #: molequeue/inputgeneratorwidget.cpp:593 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:685 msgid "Cannot connect to MoleQueue" -msgstr "" +msgstr "Cannot connect to MoleQueue" #: molequeue/inputgeneratorwidget.cpp:286 #: molequeue/inputgeneratorwidget.cpp:594 molequeue/molequeuewidget.cpp:70 @@ -225,48 +257,50 @@ msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" +"Cannot connect to MoleQueue server. Please ensure that it is running and try " +"again." #: molequeue/inputgeneratorwidget.cpp:317 #, qt-format msgid "Submit %1 Calculation" -msgstr "" +msgstr "Submit %1 Calculation" #: molequeue/inputgeneratorwidget.cpp:333 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1013 #: qtplugins/gamessinput/gamessinputdialog.cpp:722 msgid "Job Failed" -msgstr "" +msgstr "Job Failed" #: molequeue/inputgeneratorwidget.cpp:334 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1014 #: qtplugins/gamessinput/gamessinputdialog.cpp:723 msgid "The job did not complete successfully." -msgstr "" +msgstr "The job did not complete successfully." #: molequeue/inputgeneratorwidget.cpp:351 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" -msgstr "" +msgstr "Script returns warnings:\n" #: molequeue/inputgeneratorwidget.cpp:368 msgid "Hide &Warnings" -msgstr "" +msgstr "Hide &Warnings" #: molequeue/inputgeneratorwidget.cpp:374 msgid "Show &Warnings" -msgstr "" +msgstr "Show &Warnings" #: molequeue/inputgeneratorwidget.cpp:391 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" -msgstr "" +msgstr "An error has occurred:" #: molequeue/inputgeneratorwidget.cpp:442 msgid "Select output filename" -msgstr "" +msgstr "Select output filename" #: molequeue/inputgeneratorwidget.cpp:454 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" -msgstr "" +msgstr "Internal error: could not find text widget for filename '%1'" #: molequeue/inputgeneratorwidget.cpp:470 #: molequeue/inputgeneratorwidget.cpp:581 @@ -279,7 +313,7 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" -msgstr "" +msgstr "Output Error" #: molequeue/inputgeneratorwidget.cpp:471 #: molequeue/inputgeneratorwidget.cpp:582 @@ -291,27 +325,27 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." -msgstr "" +msgstr "Failed to write to file %1." #: molequeue/inputgeneratorwidget.cpp:482 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" -msgstr "" +msgstr "Select output directory" #: molequeue/inputgeneratorwidget.cpp:499 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" -msgstr "" +msgstr "%1: Directory does not exist!" #: molequeue/inputgeneratorwidget.cpp:505 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" -msgstr "" +msgstr "%1: Directory cannot be read!" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 @@ -320,7 +354,7 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." -msgstr "" +msgstr "%1: File will be overwritten." #: molequeue/inputgeneratorwidget.cpp:520 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 @@ -329,13 +363,13 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." -msgstr "" +msgstr "%1: File is not writable." #: molequeue/inputgeneratorwidget.cpp:533 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." -msgstr "" +msgstr "The input files cannot be written due to an unknown error." #: molequeue/inputgeneratorwidget.cpp:537 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 @@ -346,6 +380,9 @@ msgid "" "\n" "%1" msgstr "" +"The input files cannot be written:\n" +"\n" +"%1" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 @@ -360,6 +397,13 @@ msgid "" "\n" "%2" msgstr "" +"The input files cannot be written:\n" +"\n" +"%1\n" +"\n" +"Warnings:\n" +"\n" +"%2" #: molequeue/inputgeneratorwidget.cpp:557 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 @@ -372,80 +416,85 @@ msgid "" "\n" "Would you like to continue?" msgstr "" +"Warning:\n" +"\n" +"%1\n" +"\n" +"Would you like to continue?" #: molequeue/inputgeneratorwidget.cpp:561 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" -msgstr "" +msgstr "Write input files" #: molequeue/inputgeneratorwidget.cpp:608 msgid "Configure Job" -msgstr "" +msgstr "Configure Job" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" -msgstr "" +msgstr "Submitting job to MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" -msgstr "" +msgstr "Job Submission Timeout" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." -msgstr "" +msgstr "Avogadro timed out waiting for a reply from MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" -msgstr "" +msgstr "Waiting for job %1 “%2” to finish…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" -msgstr "" +msgstr "Stop waiting" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" -msgstr "" +msgstr "Fetching completed job information…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" -msgstr "" +msgstr "Job Retrieval Timeout" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." -msgstr "" +msgstr "Avogadro timed out waiting for the finished job details from MoleQueue." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" -msgstr "" +msgstr "Error Submitting Job" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" -msgstr "" +msgstr "The job has been rejected by MoleQueue: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." -msgstr "" +msgstr "No program selected." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." -msgstr "" +msgstr "Please select the target program from the \"Queue and Program\" list." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." -msgstr "" +msgstr "Client failed to submit job to MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." -msgstr "" +msgstr "Internal error." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." -msgstr "" +msgstr "Unable to resolve program selection. This is a bug." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" @@ -453,7 +502,7 @@ msgstr "No molecule set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" -msgstr "" +msgstr "No Io::FileFormat set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" @@ -461,11 +510,11 @@ msgstr "No file name set in BackgroundFileFormat!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" -msgstr "" +msgstr "Split Horizontal" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" -msgstr "" +msgstr "Split Vertical" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) @@ -948,9 +997,8 @@ msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:27 -#, fuzzy msgid "Browse" -msgstr "Browse..." +msgstr "Browse" #: qtgui/filebrowsewidget.cpp:101 msgid "Select file:" @@ -958,111 +1006,113 @@ msgstr "Select file:" #: qtgui/filebrowsewidget.cpp:104 msgid "Select executable:" -msgstr "" +msgstr "Select executable:" #: qtgui/fileformatdialog.cpp:48 msgid "" "The file name contains invalid characters. Please choose another file name." msgstr "" +"The file name contains invalid characters. Please choose another file name." #: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." -msgstr "" +msgstr "Unable to find a suitable file reader for the selected file." #: qtgui/fileformatdialog.cpp:108 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" +"The file extension is missing, so the format cannot be determined. Do you " +"want to add it?" #: qtgui/fileformatdialog.cpp:122 msgid "Unable to find a suitable file writer for the selected format." -msgstr "" +msgstr "Unable to find a suitable file writer for the selected format." #: qtgui/fileformatdialog.cpp:171 msgctxt "File handlers" msgid "handlers" -msgstr "" +msgstr "handlers" #: qtgui/fileformatdialog.cpp:172 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" -msgstr "" +msgstr "handle" #: qtgui/fileformatdialog.cpp:176 msgctxt "File readers" msgid "readers" -msgstr "" +msgstr "readers" #: qtgui/fileformatdialog.cpp:177 msgctxt "e.g. file readers that can 'read' this file." msgid "read" -msgstr "" +msgstr "read" #: qtgui/fileformatdialog.cpp:181 msgctxt "File writers" msgid "writers" -msgstr "" +msgstr "writers" #: qtgui/fileformatdialog.cpp:182 msgctxt "e.g. file writers that can 'write' this file." msgid "write" -msgstr "" +msgstr "write" #: qtgui/fileformatdialog.cpp:187 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" -msgstr "" +msgstr "Multiple %1 found that can %2 this format. Which should be used?" #: qtgui/fileformatdialog.cpp:287 -#, fuzzy -#| msgid "All Files" msgid "All files" -msgstr "All Files" +msgstr "All files" #: qtgui/fileformatdialog.cpp:290 msgid "All supported formats" -msgstr "" +msgstr "All supported formats" #: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" -msgstr "" +msgstr "Error reading molecule representation: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" +"Error writing molecule representation to string: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" -msgstr "" +msgstr "Error writing molecule representation to string: %1" #: qtgui/jsonwidget.cpp:55 msgid "'userOptions' missing." -msgstr "" +msgstr "'userOptions' missing." #: qtgui/jsonwidget.cpp:86 #, qt-format msgid "Option '%1' does not refer to an object." -msgstr "" +msgstr "Option '%1' does not refer to an object." #: qtgui/jsonwidget.cpp:93 #, qt-format msgid "'type' is not a string for option '%1'." -msgstr "" +msgstr "'type' is not a string for option '%1'." #: qtgui/jsonwidget.cpp:100 -#, fuzzy, qt-format +#, qt-format msgid "Could not find option '%1'." -msgstr "Could not run povray." +msgstr "Could not find option '%1'." #: qtgui/jsonwidget.cpp:154 #, qt-format msgid "Tab %1" -msgstr "" +msgstr "Tab %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) @@ -1072,20 +1122,19 @@ msgstr "Title" #: qtgui/jsonwidget.cpp:181 msgid "Filename Base" -msgstr "" +msgstr "Filename Base" #: qtgui/jsonwidget.cpp:186 msgid "Processor Cores" -msgstr "" +msgstr "Processor Cores" #: qtgui/jsonwidget.cpp:191 msgid "Calculation Type" -msgstr "" +msgstr "Calculation Type" #: qtgui/jsonwidget.cpp:195 -#, fuzzy msgid "Theory" -msgstr "Theory:" +msgstr "Theory" #: qtgui/jsonwidget.cpp:195 msgid "Basis" @@ -1102,24 +1151,24 @@ msgstr "Multiplicity" #: qtgui/jsonwidget.cpp:525 #, qt-format msgid "Error: value must be object for key '%1'." -msgstr "" +msgstr "Error: value must be object for key '%1'." #: qtgui/jsonwidget.cpp:556 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." -msgstr "" +msgstr "Unrecognized option type '%1' for option '%2'." #: qtgui/jsonwidget.cpp:565 qtgui/jsonwidget.cpp:600 qtgui/jsonwidget.cpp:622 #: qtgui/jsonwidget.cpp:643 qtgui/jsonwidget.cpp:665 qtgui/jsonwidget.cpp:686 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." -msgstr "" +msgstr "Error setting default for option '%1'. Bad widget type." #: qtgui/jsonwidget.cpp:572 qtgui/jsonwidget.cpp:607 qtgui/jsonwidget.cpp:629 #: qtgui/jsonwidget.cpp:650 qtgui/jsonwidget.cpp:672 qtgui/jsonwidget.cpp:693 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" -msgstr "" +msgstr "Error setting default for option '%1'. Bad default value:" #: qtgui/jsonwidget.cpp:586 #, qt-format @@ -1127,76 +1176,71 @@ msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" +"Error setting default for option '%1'. Could not find valid combo entry " +"index from value:" #: qtgui/jsonwidget.cpp:754 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." -msgstr "" +msgstr "Unhandled widget in collectOptions for option '%1'." #: qtgui/jsonwidget.cpp:796 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:395 -#, fuzzy msgid "[no molecule]" -msgstr "No molecule set" +msgstr "[no molecule]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" -msgstr "" +msgstr "Layer %1" #: qtgui/layermodel.cpp:135 qtplugins/ballandstick/ballandstick.h:29 msgid "Ball and Stick" msgstr "Ball and Stick" #: qtgui/layermodel.cpp:137 qtplugins/cartoons/cartoons.h:30 -#, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" -msgstr "Cartoon" +msgstr "Cartoons" #: qtgui/layermodel.cpp:139 qtplugins/closecontacts/closecontacts.h:30 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" -msgstr "" +msgstr "Close Contacts" #: qtgui/layermodel.cpp:141 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" -msgstr "" +msgstr "Crystal Lattice" #: qtgui/layermodel.cpp:143 qtplugins/force/force.h:28 msgid "Force" msgstr "Force" #: qtgui/layermodel.cpp:145 qtplugins/label/label.h:25 -#, fuzzy msgid "Labels" -msgstr "Label" +msgstr "Labels" #: qtgui/layermodel.cpp:147 qtplugins/licorice/licorice.h:29 msgctxt "stick / licorice rendering" msgid "Licorice" -msgstr "" +msgstr "Licorice" #: qtgui/layermodel.cpp:149 qtplugins/meshes/meshes.h:29 msgid "Meshes" -msgstr "" +msgstr "Meshes" #: qtgui/layermodel.cpp:151 qtplugins/noncovalent/noncovalent.h:30 -#, fuzzy -#| msgid "Covalent" msgid "Non-Covalent" -msgstr "Covalent" +msgstr "Non-Covalent" #: qtgui/layermodel.cpp:153 -#, fuzzy -#| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:155 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" -msgstr "" +msgstr "Symmetry Elements" #: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 @@ -1204,10 +1248,9 @@ msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:159 qtplugins/vanderwaalsao/vanderwaalsao.h:29 -#, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" -msgstr "Van der Waals" +msgstr "Van der Waals (AO)" #: qtgui/layermodel.cpp:161 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" @@ -1219,7 +1262,7 @@ msgstr "Untitled" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" -msgstr "" +msgstr "Create a new view" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" @@ -1228,7 +1271,7 @@ msgstr "Periodic Table" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." -msgstr "" +msgstr "Error running script '%1 %2': Timed out waiting for start (%3)." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format @@ -1236,11 +1279,13 @@ msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" +"Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " +"bytes, QProcess error: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." -msgstr "" +msgstr "Error running script '%1 %2': Timed out waiting for finish (%3)." #: qtgui/pythonscript.cpp:136 #, qt-format @@ -1250,67 +1295,68 @@ msgid "" "Output:\n" "%6" msgstr "" +"Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" +"\n" +"Output:\n" +"%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" -msgstr "" +msgstr "Warning '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." -msgstr "" +msgstr "Script failed to start." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." -msgstr "" +msgstr "Script crashed." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." -msgstr "" +msgstr "Script timed out." #: qtgui/pythonscript.cpp:276 msgid "Read error." -msgstr "" +msgstr "Read error." #: qtgui/pythonscript.cpp:279 msgid "Write error." -msgstr "" +msgstr "Write error." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." -msgstr "" +msgstr "Unknown error." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:105 #: qtgui/rwlayermanager.cpp:131 msgid "Modify Layers" -msgstr "" +msgstr "Modify Layers" #: qtgui/rwlayermanager.cpp:194 -#, fuzzy msgid "Remove Layer" -msgstr "Remove Hydrogens" +msgstr "Remove Layer" #: qtgui/rwlayermanager.cpp:201 -#, fuzzy msgid "Remove Layer Info" -msgstr "Remove Hydrogens" +msgstr "Remove Layer Info" #: qtgui/rwlayermanager.cpp:210 msgid "Add Layer" -msgstr "" +msgstr "Add Layer" #: qtgui/rwlayermanager.cpp:213 msgid "Add Layer Info" -msgstr "" +msgstr "Add Layer Info" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 #: qtplugins/selectiontool/selectiontool.cpp:254:1567 -#, fuzzy msgid "Change Layer" -msgstr "Change Bond Order" +msgstr "Change Layer" #: qtgui/rwmolecule.cpp:38 qtgui/rwmolecule.cpp:47 msgid "Add Atom" @@ -1323,7 +1369,7 @@ msgstr "Remove Atom" #: qtgui/rwmolecule.cpp:94 msgid "Clear Atoms" -msgstr "" +msgstr "Clear Atoms" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) @@ -1332,9 +1378,8 @@ msgid "Adjust Hydrogens" msgstr "Adjust Hydrogens" #: qtgui/rwmolecule.cpp:142 -#, fuzzy msgid "Change Elements" -msgstr "Change Element" +msgstr "Change Elements" #: qtgui/rwmolecule.cpp:154 msgid "Change Element" @@ -1342,20 +1387,19 @@ msgstr "Change Element" #: qtgui/rwmolecule.cpp:220 msgid "Change Atom Hybridization" -msgstr "" +msgstr "Change Atom Hybridization" #: qtgui/rwmolecule.cpp:232 msgid "Change Atom Formal Charge" -msgstr "" +msgstr "Change Atom Formal Charge" #: qtgui/rwmolecule.cpp:244 msgid "Change Atom Color" -msgstr "" +msgstr "Change Atom Color" #: qtgui/rwmolecule.cpp:256 -#, fuzzy msgid "Change Atom Layer" -msgstr "Change Bond Order" +msgstr "Change Atom Layer" #: qtgui/rwmolecule.cpp:272 msgid "Add Bond" @@ -1363,131 +1407,114 @@ msgstr "Add Bond" #: qtgui/rwmolecule.cpp:298 msgid "Removed Bond" -msgstr "" +msgstr "Removed Bond" #: qtgui/rwmolecule.cpp:305 -#, fuzzy msgid "Clear Bonds" -msgstr "Delete Bond" +msgstr "Clear Bonds" #: qtgui/rwmolecule.cpp:320 -#, fuzzy msgid "Set Bond Orders" -msgstr "Bond Order" +msgstr "Set Bond Orders" #: qtgui/rwmolecule.cpp:332 msgid "Change Bond Order" msgstr "Change Bond Order" #: qtgui/rwmolecule.cpp:355 -#, fuzzy msgid "Update Bonds" msgstr "Update Bonds" #: qtgui/rwmolecule.cpp:374 msgid "Update Bond" -msgstr "" +msgstr "Update Bond" #: qtgui/rwmolecule.cpp:394 -#, fuzzy msgid "Add Unit Cell" msgstr "Add &Unit Cell" #: qtgui/rwmolecule.cpp:407 -#, fuzzy msgid "Remove Unit Cell" msgstr "Remove &Unit Cell" #: qtgui/rwmolecule.cpp:472 msgid "Edit Unit Cell" -msgstr "" +msgstr "Edit Unit Cell" #: qtgui/rwmolecule.cpp:489 -#, fuzzy msgid "Wrap Atoms to Cell" msgstr "&Wrap Atoms to Cell" #: qtgui/rwmolecule.cpp:512 -#, fuzzy msgid "Scale Cell Volume" -msgstr "Scale Unit Cell Volume" +msgstr "Scale Cell Volume" #: qtgui/rwmolecule.cpp:532 -#, fuzzy msgid "Build Super Cell" -msgstr "Super Cell" +msgstr "Build Super Cell" #: qtgui/rwmolecule.cpp:556 msgid "Niggli Reduction" -msgstr "" +msgstr "Niggli Reduction" #: qtgui/rwmolecule.cpp:578 msgid "Rotate to Standard Orientation" msgstr "Rotate to Standard Orientation" #: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 -#, fuzzy msgid "Reduce to Primitive" -msgstr "Reduce to Primitive Cell" +msgstr "Reduce to Primitive" #: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" -msgstr "" +msgstr "Conventionalize Cell" #: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 -#, fuzzy msgid "Symmetrize Cell" -msgstr "Symmetrise" +msgstr "Symmetrize Cell" #: qtgui/rwmolecule.cpp:672 msgid "Fill Unit Cell" msgstr "Fill Unit Cell" #: qtgui/rwmolecule.cpp:692 -#, fuzzy msgid "Reduce Cell to Asymmetric Unit" -msgstr "Reduce to Asymmetric Unit" +msgstr "Reduce Cell to Asymmetric Unit" #: qtgui/rwmolecule.h:214 -#, fuzzy -#| msgid "Change selections" msgid "Change Atom Positions" -msgstr "Change selections" +msgstr "Change Atom Positions" #: qtgui/rwmolecule.h:224 -#, fuzzy msgid "Change Atom Position" -msgstr "Change Bond Order" +msgstr "Change Atom Position" #: qtgui/rwmolecule.h:228 -#, fuzzy msgid "Change Atom Label" -msgstr "Change Bond Order" +msgstr "Change Atom Label" #: qtgui/rwmolecule.h:234 -#, fuzzy -#| msgid "Change selections" msgid "Change Selection" -msgstr "Change selections" +msgstr "Change Selection" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" -msgstr "" +msgstr "Modify Molecule" #: qtgui/scriptloader.cpp:41 #, qt-format msgid "Cannot load script %1" -msgstr "" +msgstr "Cannot load script %1" #: qtgui/scriptloader.cpp:68 #, qt-format msgid "Checking for %1 scripts in path %2" -msgstr "" +msgstr "Checking for %1 scripts in path %2" #: qtplugins/3dmol/3dmol.cpp:41 msgid "3DMol HTML Block." -msgstr "" +msgstr "3DMol HTML Block." #: qtplugins/3dmol/3dmol.cpp:51 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:43 @@ -1506,7 +1533,7 @@ msgstr "&Export" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" -msgstr "" +msgstr "ThreeDMol" #: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 msgid "Align" @@ -1535,32 +1562,24 @@ msgid "Axis:" msgstr "Axis:" #: qtplugins/aligntool/aligntool.cpp:152 -#, fuzzy -#| msgid "Align Settings" msgid "Align at Origin" -msgstr "Align Settings" +msgstr "Align at Origin" #: qtplugins/aligntool/aligntool.cpp:188 -#, fuzzy -#| msgid "Align Settings" msgid "Align to Axis" -msgstr "Align Settings" +msgstr "Align to Axis" #: qtplugins/aligntool/aligntool.cpp:304 -#, fuzzy -#| msgid "selected atom to origin" msgid "Center the atom at the origin." -msgstr "selected atom to origin" +msgstr "Center the atom at the origin." #: qtplugins/aligntool/aligntool.cpp:307 msgid "Rotate the molecule to align the atom to the specified axis." -msgstr "" +msgstr "Rotate the molecule to align the atom to the specified axis." #: qtplugins/aligntool/aligntool.h:30 -#, fuzzy -#| msgid "Align" msgid "Align tool" -msgstr "Align" +msgstr "Align tool" #: qtplugins/aligntool/aligntool.h:33 msgid "Align molecules to a Cartesian axis" @@ -1568,12 +1587,11 @@ msgstr "Align molecules to a Cartesian axis" #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" -msgstr "" +msgstr "Run APBS…" #: qtplugins/apbs/apbs.cpp:36 -#, fuzzy msgid "Open Output File…" -msgstr "Open WFN File" +msgstr "Open Output File…" #: qtplugins/apbs/apbs.cpp:49 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:52 @@ -1581,70 +1599,69 @@ msgstr "Open WFN File" #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:71 msgid "&Input" -msgstr "" +msgstr "&Input" #: qtplugins/apbs/apbs.cpp:49 msgid "&APBS" -msgstr "" +msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:61 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:72 #: qtplugins/quantuminput/quantuminput.cpp:95 msgid "Open Output File" -msgstr "" +msgstr "Open Output File" #: qtplugins/apbs/apbs.cpp:62 msgid "OpenDX File (*.dx)" -msgstr "" +msgstr "OpenDX File (*.dx)" #: qtplugins/apbs/apbs.cpp:115 -#, fuzzy msgid "IO Error" msgstr "IO Error" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." -msgstr "" +msgstr "Error reading structure file (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" -msgstr "" +msgstr "OpenDX Error" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" -msgstr "" +msgstr "Error reading OpenDX file: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" -msgstr "" +msgstr "Error reading OpenDX file: No cube found" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:31:84 msgid "APBS" -msgstr "" +msgstr "APBS" #: qtplugins/apbs/apbs.h:34 msgid "Interact with APBS utilities." -msgstr "" +msgstr "Interact with APBS utilities." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" -msgstr "" +msgstr "Open PDB File" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" -msgstr "" +msgstr "PDB Files (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" -msgstr "" +msgstr "Open PQR File" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" -msgstr "" +msgstr "PQR Files (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:104 @@ -1669,68 +1686,59 @@ msgstr "Error" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" -msgstr "" +msgstr "Error running APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" -msgstr "" +msgstr "Please specify PDB file" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" -msgstr "" +msgstr "Save APBS Input File" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "ABPS Input (*.in)" -msgstr "" +msgstr "ABPS Input (*.in)" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:144 -#, fuzzy msgid "Success" -msgstr "Success!" +msgstr "Success" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" -msgstr "" +msgstr "Input file written to '%1'" #: qtplugins/applycolors/applycolors.cpp:43 #: qtplugins/applycolors/applycolors.cpp:64 -#, fuzzy msgid "By Custom Color…" -msgstr "Custom Colour" +msgstr "By Custom Colour…" #: qtplugins/applycolors/applycolors.cpp:48 -#, fuzzy msgid "By Atomic Index" -msgstr "Atom Indices" +msgstr "By Atomic Index" #: qtplugins/applycolors/applycolors.cpp:53 -#, fuzzy msgid "By Distance" -msgstr "Distance" +msgstr "By Distance" #: qtplugins/applycolors/applycolors.cpp:58 -#, fuzzy msgid "By Element" -msgstr "Element" +msgstr "By Element" #: qtplugins/applycolors/applycolors.cpp:69 -#, fuzzy msgid "By Chain" -msgstr "NH Chains" +msgstr "By Chain" #: qtplugins/applycolors/applycolors.cpp:74 -#, fuzzy -#| msgid "Partial Charge" msgid "By Partial Charge…" -msgstr "Partial Charge" +msgstr "By Partial Charge…" #: qtplugins/applycolors/applycolors.cpp:79 -#, fuzzy msgid "By Secondary Structure" -msgstr "Renders protein secondary structure" +msgstr "By Secondary Structure" #: qtplugins/applycolors/applycolors.cpp:84 msgid "By Amino Acid" @@ -1738,7 +1746,7 @@ msgstr "By Amino Acid" #: qtplugins/applycolors/applycolors.cpp:89 msgid "By Shapely Scheme" -msgstr "" +msgstr "By Shapely Scheme" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 @@ -1746,25 +1754,25 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" -msgstr "" +msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:106 #: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" -msgstr "" +msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" -msgstr "" +msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" -msgstr "" +msgstr "Grey" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 @@ -1772,7 +1780,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" -msgstr "" +msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 @@ -1780,7 +1788,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" -msgstr "" +msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 @@ -1788,7 +1796,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" -msgstr "" +msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 @@ -1796,7 +1804,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" -msgstr "" +msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 @@ -1804,7 +1812,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" -msgstr "" +msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1814,11 +1822,9 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 #: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 -#, fuzzy -#| msgid "Spectra" msgctxt "colormap" msgid "Spectral" -msgstr "Spectra" +msgstr "Spectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1828,7 +1834,7 @@ msgstr "Spectra" #: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" -msgstr "" +msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1836,11 +1842,9 @@ msgstr "" #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 -#, fuzzy -#| msgid "Cancel" msgctxt "colormap" msgid "Balance" -msgstr "Cancel" +msgstr "Balance" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1850,7 +1854,7 @@ msgstr "Cancel" #: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" -msgstr "" +msgstr "Blue-DarkRed" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1862,11 +1866,11 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" -msgstr "" +msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:138 msgid "Apply color schemes to atoms and residues." -msgstr "" +msgstr "Apply colour schemes to atoms and residues." #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 @@ -1876,21 +1880,17 @@ msgid "&View" msgstr "&View" #: qtplugins/applycolors/applycolors.cpp:149 -#, fuzzy msgid "Color Atoms" -msgstr "Colours" +msgstr "Colour Atoms" #: qtplugins/applycolors/applycolors.cpp:151 -#, fuzzy msgid "Color Residues" -msgstr "Colour by Residue" +msgstr "Colour Residues" #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305 -#, fuzzy -#| msgid "Selected Colors" msgid "Select Colormap" -msgstr "Selected Colours" +msgstr "Select Colourmap" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) @@ -1898,15 +1898,12 @@ msgstr "Selected Colours" #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 -#, fuzzy -#| msgid "Color:" msgid "Colormap:" -msgstr "Colour:" +msgstr "Colourmap:" #: qtplugins/applycolors/applycolors.h:29 -#, fuzzy msgid "ApplyColors" -msgstr "Colours" +msgstr "ApplyColours" #: qtplugins/ballandstick/ballandstick.cpp:91 msgid "Atom scale" @@ -1918,38 +1915,23 @@ msgstr "Bond scale" #: qtplugins/ballandstick/ballandstick.cpp:103 #: qtplugins/wireframe/wireframe.cpp:92 -#, fuzzy msgid "Show multiple bonds" -msgstr "Show Multiple Bonds" +msgstr "Show multiple bonds" #: qtplugins/ballandstick/ballandstick.cpp:109 #: qtplugins/wireframe/wireframe.cpp:98 -#, fuzzy msgid "Show hydrogens" -msgstr "Hydrogens" +msgstr "Show hydrogens" #: qtplugins/ballandstick/ballandstick.h:33 msgid "Render atoms as spheres and bonds as cylinders." -msgstr "" +msgstr "Render atoms as spheres and bonds as cylinders." #: qtplugins/bondcentrictool/bondcentrictool.cpp:121 -#, fuzzy msgid "Bond-Centric Manipulation" -msgstr "Bond Centric Manipulation" +msgstr "Bond-Centric Manipulation" #: qtplugins/bondcentrictool/bondcentrictool.cpp:124 -#, fuzzy -#| msgid "" -#| "Bond Centric Manipulation Tool\n" -#| "\n" -#| "Left Mouse: \tClick and drag to rotate the view.\n" -#| "Middle Mouse: Click and drag to zoom in or out.\n" -#| "Right Mouse: \tClick and drag to move the view.\n" -#| "Double-Click: \tReset the view.\n" -#| "\n" -#| "Left Click & Drag on a Bond to set the Manipulation Plane:\n" -#| "Left Click & Drag one of the Atoms in the Bond to change the angle\n" -#| "Right Click & Drag one of the Atoms in the Bond to change the length" msgid "" "Bond Centric Manipulation Tool\n" "\n" @@ -1965,7 +1947,7 @@ msgstr "" "Bond Centric Manipulation Tool\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" -"Middle Mouse: Click and drag to zoom in or out.\n" +"Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" @@ -1980,7 +1962,7 @@ msgstr "" #: qtplugins/measuretool/measuretool.cpp:212 #, qt-format msgid "%L1°" -msgstr "" +msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:798 #: qtplugins/editor/editor.cpp:260 qtplugins/measuretool/measuretool.cpp:219 @@ -1988,40 +1970,37 @@ msgstr "" #: qtplugins/measuretool/measuretool.cpp:222 #, qt-format msgid "%L1 Å" -msgstr "" +msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:168 -#, fuzzy msgid "Bond centric manipulation tool." -msgstr "Bond Centric Manipulation" +msgstr "Bond centric manipulation tool." #: qtplugins/bondcentrictool/bondcentrictool.h:173 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" +"Tool used to edit molecular geometry by changing bond lengths and angles." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" -msgstr "" +msgstr "Bond Atoms" #: qtplugins/bonding/bonding.cpp:29 -#, fuzzy msgid "Perceive Bond Orders" -msgstr "Perceive bonds?" +msgstr "Perceive Bond Orders" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" -msgstr "" +msgstr "Remove Bonds" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" -msgstr "" +msgstr "Configure Bonding…" #: qtplugins/bonding/bonding.cpp:32 -#, fuzzy -#| msgid "Fix Selected Atoms" msgid "Bond Selected Atoms" -msgstr "Fix Selected Atoms" +msgstr "Bond Selected Atoms" #: qtplugins/bonding/bonding.cpp:63 qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 @@ -2034,33 +2013,30 @@ msgstr "&Build" #: qtplugins/bonding/bonding.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:422 -#, fuzzy msgid "Bond" msgstr "Bond" #: qtplugins/bonding/bonding.cpp:74 msgid "Remove bonds from all or selected atoms." -msgstr "" +msgstr "Remove bonds from all or selected atoms." #: qtplugins/bonding/bonding.cpp:76 msgid "Create bonds between all or selected atoms." -msgstr "" +msgstr "Create bonds between all or selected atoms." #: qtplugins/bonding/bonding.cpp:77 -#, fuzzy msgid "Perceive bond orders." -msgstr "Perceive bonds?" +msgstr "Perceive bond orders." #: qtplugins/bonding/bonding.h:32 msgid "Bonding" -msgstr "" +msgstr "Bonding" #: qtplugins/bonding/bonding.h:36 msgid "Perform bonding operations." -msgstr "" +msgstr "Perform bonding operations." #: qtplugins/cartoons/cartoons.cpp:93 -#, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Backbone" @@ -2068,27 +2044,24 @@ msgstr "Backbone" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Trace" -msgstr "" +msgstr "Trace" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Tube" -msgstr "" +msgstr "Tube" #: qtplugins/cartoons/cartoons.cpp:96 -#, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Ribbon" #: qtplugins/cartoons/cartoons.cpp:97 -#, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" -msgstr "Cartoon" +msgstr "Simple Cartoon" #: qtplugins/cartoons/cartoons.cpp:98 -#, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Cartoon" @@ -2096,17 +2069,15 @@ msgstr "Cartoon" #: qtplugins/cartoons/cartoons.cpp:99 msgctxt "protein rendering style" msgid "Rope" -msgstr "" +msgstr "Rope" #: qtplugins/cartoons/cartoons.h:34 msgid "Display of biomolecule ribbons / cartoons." -msgstr "" +msgstr "Display of biomolecule ribbons/cartoons." #: qtplugins/centroid/centroid.cpp:20 -#, fuzzy -#| msgid "Add Center of Mass" msgid "Add Centroid" -msgstr "Add Centre of Mass" +msgstr "Add Centroid" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Center of Mass" @@ -2115,17 +2086,15 @@ msgstr "Add Centre of Mass" #: qtplugins/centroid/centroid.cpp:23 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" -msgstr "" +msgstr "Add Perpendicular" #: qtplugins/centroid/centroid.h:26 -#, fuzzy -#| msgid "Control" msgid "Centroid" -msgstr "Control" +msgstr "Centroid" #: qtplugins/centroid/centroid.h:30 msgid "Add centroids and center-of-mass." -msgstr "" +msgstr "Add centroids and centre-of-mass." #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) @@ -2158,39 +2127,35 @@ msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:232 #: qtplugins/noncovalent/noncovalent.cpp:369 -#, fuzzy -#| msgid "Maximum Force" msgid "Maximum distance:" -msgstr "Maximum Force" +msgstr "Maximum distance:" #: qtplugins/closecontacts/closecontacts.cpp:233 #: qtplugins/crystal/crystalscene.cpp:133 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:88 msgid "Line width:" -msgstr "" +msgstr "Line width:" #: qtplugins/closecontacts/closecontacts.h:34 -#, fuzzy -#| msgid "Renders force displacements on atoms" msgid "Render close contacts between atoms." -msgstr "Renders force displacements on atoms" +msgstr "Render close contacts between atoms." #: qtplugins/closecontacts/closecontacts.h:52 msgid "Contact" -msgstr "" +msgstr "Contact" #: qtplugins/closecontacts/closecontacts.h:52 msgid "Salt Bridge" -msgstr "" +msgstr "Salt Bridge" #: qtplugins/closecontacts/closecontacts.h:52 msgid "Repulsive" -msgstr "" +msgstr "Repulsive" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" -msgstr "" +msgstr "Edit Colour Opacity Map…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 @@ -2204,15 +2169,14 @@ msgstr "&Extensions" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" -msgstr "" +msgstr "ColourOpacityMap" #: qtplugins/coloropacitymap/coloropacitymap.h:56 msgid "Edit color opacity maps, primarily for volume rendering." -msgstr "" +msgstr "Edit colour opacity maps, primarily for volume rendering." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 -#, fuzzy msgid "Scripts" msgstr "&Scripts" @@ -2227,103 +2191,100 @@ msgid "" "Error reading output file '%1':\n" "%2" msgstr "" +"Error reading output file '%1':\n" +"%2" #: qtplugins/commandscripts/command.cpp:194 #, qt-format msgid "Processing %1" -msgstr "" +msgstr "Processing %1" #: qtplugins/commandscripts/command.cpp:249 #: qtplugins/quantuminput/quantuminput.cpp:178 msgid "Set path to Python interpreter:" -msgstr "" +msgstr "Set path to Python interpreter:" #: qtplugins/commandscripts/command.cpp:251 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" +"Select the Python interpreter to run external scripts.\n" +"Avogadro must be restarted for any changes to take effect." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" -msgstr "" +msgstr "Command scripts" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" -msgstr "" +msgstr "Run external script commands" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 -#, fuzzy msgid "Atomic &Coordinate Editor…" -msgstr "Cartesian coordinates editor" +msgstr "Atomic &Coordinate Editor…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 -#, fuzzy msgid "Coordinate editor" -msgstr "Cartesian coordinates editor" +msgstr "Coordinate editor" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." -msgstr "" +msgstr "Text editing of atomic coordinates." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:224 msgid "Overwrite changes?" -msgstr "" +msgstr "Overwrite changes?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:225 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" +"The text document has been modified. Would you like to discard your changes " +"and revert to the current molecule?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:352 msgid "Too few entries on line." -msgstr "" +msgstr "Too few entries on line." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:368 msgid "Invalid element name." -msgstr "" +msgstr "Invalid element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:370 -#, fuzzy msgid "Element name." -msgstr "Element name" +msgstr "Element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:382 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:404 -#, fuzzy msgid "Invalid element symbol." -msgstr "Element symbol" +msgstr "Invalid element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:384 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:406 -#, fuzzy msgid "Element symbol." -msgstr "Element symbol" +msgstr "Element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:397 -#, fuzzy msgid "Invalid atom label." -msgstr "Atom Indices" +msgstr "Invalid atom label." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:415 -#, fuzzy msgid "Invalid atomic index." -msgstr "Atom Indices" +msgstr "Invalid atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:417 -#, fuzzy msgid "Atomic index." -msgstr "Atom Indices" +msgstr "Atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:427 msgid "Invalid atomic number." -msgstr "" +msgstr "Invalid atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:429 -#, fuzzy msgid "Atomic number." -msgstr "Atom number" +msgstr "Atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:438 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:449 @@ -2332,39 +2293,35 @@ msgstr "Atom number" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:482 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:493 msgid "Invalid coordinate." -msgstr "" +msgstr "Invalid coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:440 -#, fuzzy msgid "X coordinate." -msgstr "Coordinates" +msgstr "X coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:451 -#, fuzzy msgid "Y coordinate." -msgstr "Coordinates" +msgstr "Y coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:462 -#, fuzzy msgid "Z coordinate." -msgstr "Coordinates" +msgstr "Z coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:473 msgid "'a' lattice coordinate." -msgstr "" +msgstr "'a' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:484 msgid "'b' lattice coordinate." -msgstr "" +msgstr "'b' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:495 -#, fuzzy msgid "'c' lattice coordinate." -msgstr "Coordinates" +msgstr "'c' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:579 msgid "Error applying geometry" -msgstr "" +msgstr "Error applying geometry" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:580 msgid "" @@ -2373,10 +2330,14 @@ msgid "" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" +"Could not parse geometry specification. Fix the highlighted errors and try " +"again.\n" +"\n" +"(Hint: Hold the mouse over red text for a description of the error.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:615 msgid "Edit Atomic Coordinates" -msgstr "" +msgstr "Edit Atomic Coordinates" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) @@ -2389,40 +2350,39 @@ msgstr "Custom" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:634 msgid "XYZ format (symbols)" -msgstr "" +msgstr "XYZ format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:635 msgid "XYZ format (names)" -msgstr "" +msgstr "XYZ format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:636 msgid "XYZ format (atomic numbers)" -msgstr "" +msgstr "XYZ format (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:637 msgid "Lattice coordinates (symbols)" -msgstr "" +msgstr "Lattice coordinates (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 msgid "Lattice coordinates (names)" -msgstr "" +msgstr "Lattice coordinates (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "Lattice coordinates (atomic numbers)" -msgstr "" +msgstr "Lattice coordinates (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "GAMESS format (symbols)" -msgstr "" +msgstr "GAMESS format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "GAMESS format (names)" -msgstr "" +msgstr "GAMESS format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 -#, fuzzy msgid "Turbomole format" -msgstr "Turbomole Input" +msgstr "Turbomole format" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) @@ -2432,20 +2392,19 @@ msgstr "Copy" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:79 #: qtplugins/lineformatinput/lineformatinput.cpp:46 -#, fuzzy msgid "SMILES" -msgstr "SMILES..." +msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:33 qtplugins/copypaste/copypaste.cpp:79 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" -msgstr "" +msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:34:237 msgid "Cut" -msgstr "" +msgstr "Cut" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) @@ -2455,11 +2414,11 @@ msgstr "Clear" #: qtplugins/copypaste/copypaste.cpp:36 msgid "&Paste" -msgstr "" +msgstr "&Paste" #: qtplugins/copypaste/copypaste.cpp:80 qtplugins/copypaste/copypaste.cpp:82 msgid "&Edit" -msgstr "" +msgstr "&Edit" #: qtplugins/copypaste/copypaste.cpp:82 msgid "Copy As" @@ -2467,11 +2426,11 @@ msgstr "Copy As" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" -msgstr "" +msgstr "Error Clipping Molecule" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." -msgstr "" +msgstr "Error generating clipboard data." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format @@ -2480,6 +2439,8 @@ msgid "" "Output format: %1\n" "%2" msgstr "" +"Output format: %1\n" +"%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:274 #, qt-format @@ -2487,18 +2448,20 @@ msgid "" "Reader error:\n" "%1" msgstr "" +"Reader error:\n" +"%1" #: qtplugins/copypaste/copypaste.cpp:235 qtplugins/copypaste/copypaste.cpp:268 msgid "Error Pasting Molecule" -msgstr "" +msgstr "Error Pasting Molecule" #: qtplugins/copypaste/copypaste.cpp:236 msgid "Cannot paste molecule: Clipboard empty!" -msgstr "" +msgstr "Cannot paste molecule: Clipboard empty!" #: qtplugins/copypaste/copypaste.cpp:269 msgid "Error reading clipboard data." -msgstr "" +msgstr "Error reading clipboard data." #: qtplugins/copypaste/copypaste.cpp:270 #, qt-format @@ -2507,26 +2470,28 @@ msgid "" "Detected format: %1\n" "%2" msgstr "" +"Detected format: %1\n" +"%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" -msgstr "" +msgstr "Copy and paste" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." -msgstr "" +msgstr "Interact with the clipboard." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" -msgstr "" +msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" -msgstr "" +msgstr "CP2K input" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." -msgstr "" +msgstr "Generate input for CP2K." #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:83 @@ -2535,34 +2500,31 @@ msgstr "Energy" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" -msgstr "" +msgstr "Energy and Forces" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 -#, fuzzy msgid "Molecular Dynamics" -msgstr "Molecular Dynamics (300K)" +msgstr "Molecular Dynamics" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 -#, fuzzy msgid "Geometry Optimization" -msgstr "Geometry Optimisation:" +msgstr "Geometry Optimization" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" -msgstr "" +msgstr "Electronic structure methods (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 -#, fuzzy msgid "Molecular Mechanics" -msgstr "&Molecular Mechanics" +msgstr "Molecular Mechanics" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" -msgstr "" +msgstr "Hybrid quantum classical (Not yet supported)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" -msgstr "" +msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) @@ -2575,50 +2537,49 @@ msgstr "NONE" #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1291 msgid "PME" -msgstr "" +msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" -msgstr "" +msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" -msgstr "" +msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" -msgstr "" +msgstr "CORE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" -msgstr "" +msgstr "DENSITIES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" -msgstr "" +msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" -msgstr "" +msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" -msgstr "" +msgstr "RANDOM" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" -msgstr "" +msgstr "RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" -msgstr "" +msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" -msgstr "" +msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 -#, fuzzy msgid "Conjugate Gradients" msgstr "Conjugate Gradients" @@ -2627,9 +2588,8 @@ msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 -#, fuzzy msgid "Steepest descent" -msgstr "Steepest Descent" +msgstr "Steepest descent" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 @@ -2637,53 +2597,49 @@ msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" +"The input file has been modified. Would you like to overwrite your changes " +"to reflect the new geometry or job options?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "Overwrite modified input file?" -msgstr "" +msgstr "Overwrite modified input file?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:948 msgid "Save CP2K input file" -msgstr "" +msgstr "Save CP2K input file" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:997 msgid "Submit CP2K Calculation" -msgstr "" +msgstr "Submit CP2K Calculation" #: qtplugins/crystal/crystal.cpp:40 -#, fuzzy msgid "Import Crystal from Clipboard…" -msgstr "I&mport Crystal from Clipboard..." +msgstr "I&mport Crystal from Clipboard…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" -msgstr "" +msgstr "Toggle Unit Cell" #: qtplugins/crystal/crystal.cpp:52 -#, fuzzy msgid "Edit Unit Cell…" -msgstr "Add &Unit Cell" +msgstr "Edit Unit Cell…" #: qtplugins/crystal/crystal.cpp:57 -#, fuzzy msgid "&Wrap Atoms to Unit Cell" -msgstr "&Wrap Atoms to Cell" +msgstr "&Wrap Atoms to Unit Cell" #: qtplugins/crystal/crystal.cpp:63 -#, fuzzy msgid "Rotate to Standard &Orientation" -msgstr "Rotate to Standard Orientation" +msgstr "Rotate to Standard &Orientation" #: qtplugins/crystal/crystal.cpp:69 -#, fuzzy msgid "Scale Cell &Volume…" -msgstr "Scale Cell To &Volume..." +msgstr "Scale Cell &Volume…" #: qtplugins/crystal/crystal.cpp:74 -#, fuzzy msgid "Build &Supercell…" -msgstr "Super Cell" +msgstr "Build &Supercell…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" @@ -2692,9 +2648,8 @@ msgstr "Reduce Cell (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 -#, fuzzy msgid "&Crystal" -msgstr "Crystal..." +msgstr "&Crystal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" @@ -2705,49 +2660,40 @@ msgid "Add &Unit Cell" msgstr "Add &Unit Cell" #: qtplugins/crystal/crystal.cpp:168 -#, fuzzy msgid "Import Crystal from Clipboard" -msgstr "I&mport Crystal from Clipboard..." +msgstr "I&mport Crystal from Clipboard" #: qtplugins/crystal/crystal.cpp:175 -#, fuzzy -#| msgid "&Keep atoms in unit cell" msgid "Wrap atoms into the unit cell." -msgstr "&Keep atoms in unit cell" +msgstr "Wrap atoms into the unit cell." #: qtplugins/crystal/crystal.cpp:177 -#, fuzzy -#| msgid "Rotate to Standard Orientation" msgid "Rotate the unit cell to the standard orientation." -msgstr "Rotate to Standard Orientation" +msgstr "Rotate the unit cell to the standard orientation." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" -msgstr "" +msgstr "Niggli Reduce Crystal" #: qtplugins/crystal/crystal.cpp:216 -#, fuzzy msgid "The unit cell is already reduced." -msgstr "" -"This unit cell is already reduced to its canonical Niggli representation." +msgstr "The unit cell is already reduced." #: qtplugins/crystal/crystal.h:25 -#, fuzzy msgid "Crystal" -msgstr "Crystal..." +msgstr "Crystal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." -msgstr "" +msgstr "Tools for crystal-specific editing/analysis." #: qtplugins/crystal/crystalscene.cpp:138 -#, fuzzy msgid "Line color:" -msgstr "VRML (colour)" +msgstr "Line colour:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." -msgstr "" +msgstr "Render the unit cell boundaries." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" @@ -2755,45 +2701,39 @@ msgstr "Cannot Parse Text" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." -msgstr "" +msgstr "Failed to read the data with the supplied format." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." -msgstr "" +msgstr "No unit cell present." #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" -msgstr "" +msgstr "Reassign &Custom Elements…" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." -msgstr "" +msgstr "Manipulate custom element types in the current molecule." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" -msgstr "" +msgstr "Custom Elements" #: qtplugins/editor/editor.cpp:71 qtplugins/editor/editor.cpp:110 msgid "Draw" msgstr "Draw" #: qtplugins/editor/editor.cpp:74 -#, fuzzy -#| msgid "" -#| "Draw Tool (F8)\n" -#| "\n" -#| "Left Mouse: \tClick and Drag to create Atoms and Bonds\n" -#| "Right Mouse: \tDelete Atom" msgid "" "Draw Tool\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" -"Draw Tool (F8)\n" +"Draw Tool\n" "\n" -"Left Mouse: \tClick and Drag to create Atoms and Bonds\n" +"Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" #: qtplugins/editor/editor.cpp:104 @@ -2802,32 +2742,29 @@ msgstr "Draw Atom" #: qtplugins/editor/editor.cpp:114 msgid "Change Bond Type" -msgstr "" +msgstr "Change Bond Type" #: qtplugins/editor/editor.cpp:127 msgid "Remove Bond" -msgstr "" +msgstr "Remove Bond" #: qtplugins/editor/editor.cpp:255 qtplugins/measuretool/measuretool.cpp:193 #: qtplugins/measuretool/measuretool.cpp:218 -#, fuzzy msgid "Distance:" -msgstr "Distance" +msgstr "Distance:" #: qtplugins/editor/editor.cpp:258 #, qt-format msgid "%1 %L2" -msgstr "" +msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" -msgstr "" +msgstr "Editor tool" #: qtplugins/editor/editortoolwidget.cpp:129 -#, fuzzy -#| msgid "Other" msgid "Other…" -msgstr "Other" +msgstr "Other…" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) @@ -2835,7 +2772,7 @@ msgstr "Other" #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" -msgstr "" +msgstr "Automatic" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" @@ -2856,19 +2793,17 @@ msgid "&Import" msgstr "&Import" #: qtplugins/fetchpdb/fetchpdb.cpp:61 -#, fuzzy msgid "Fetch PDB" -msgstr "Fetch from PDB..." +msgstr "Fetch PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 -#, fuzzy, qt-format -#| msgid "Cannot read molecular file %1." +#, qt-format msgid "Could not read the PDB molecule: %1" -msgstr "Cannot read molecular file %1." +msgstr "Could not read the PDB molecule: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:80 msgid "PDB Code" -msgstr "" +msgstr "PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:81 #: qtplugins/networkdatabases/networkdatabases.cpp:76 @@ -2879,7 +2814,7 @@ msgstr "Chemical structure to download." #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" -msgstr "" +msgstr "Querying for %1" #: qtplugins/fetchpdb/fetchpdb.cpp:104 qtplugins/fetchpdb/fetchpdb.cpp:122 #: qtplugins/networkdatabases/networkdatabases.cpp:99 @@ -2899,76 +2834,62 @@ msgid "Specified molecule could not be found: %1" msgstr "Specified molecule could not be found: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 -#, fuzzy msgid "Fetch from PDB" -msgstr "Fetch from PDB..." +msgstr "Fetch from PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" -msgstr "" +msgstr "Download PDB models from the Protein Data Bank" #: qtplugins/focus/focus.cpp:22 -#, fuzzy -#| msgid "Selection" msgid "Focus Selection" -msgstr "Selection" +msgstr "Focus Selection" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" -msgstr "" +msgstr "Unfocus" #: qtplugins/focus/focus.h:27 msgid "Focus" -msgstr "" +msgstr "Focus" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." -msgstr "" +msgstr "Focus the view on specific features." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." -msgstr "" +msgstr "Render the force field visualizations for the atoms of the molecule." #: qtplugins/forcefield/forcefield.cpp:75 -#, fuzzy -#| msgid "Optimization" msgid "Optimize" -msgstr "Optimisation" +msgstr "Optimize" #: qtplugins/forcefield/forcefield.cpp:91 -#, fuzzy msgid "Configure…" -msgstr "Setup Force Field..." +msgstr "Configure…" #: qtplugins/forcefield/forcefield.cpp:103 -#, fuzzy -#| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" -msgstr "Import Selected Atoms" +msgstr "Freeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:110 -#, fuzzy -#| msgid "Fix Selected Atoms" msgid "Unfreeze Selected Atoms" -msgstr "Fix Selected Atoms" +msgstr "Unfreeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:126 -#, fuzzy -#| msgid "Calculate" msgid "&Calculate" -msgstr "Calculate" +msgstr "&Calculate" #: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 -#, fuzzy msgid "Optimize Geometry" -msgstr "&Optimise Geometry" +msgstr "&Optimize Geometry" #: qtplugins/forcefield/forcefield.cpp:329 -#, fuzzy, qt-format -#| msgid "Energy = %L1 %2" +#, qt-format msgid "%1 Energy = %L2" -msgstr "Energy = %L1 %2" +msgstr "%1 Energy = %L2" #: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 @@ -2979,46 +2900,40 @@ msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.h:46 -#, fuzzy -#| msgid "Forcefield Optimization" msgid "Forcefield optimization" -msgstr "Forcefield Optimization" +msgstr "Force field optimization" #: qtplugins/forcefield/forcefield.h:50 -#, fuzzy -#| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" -msgstr "Forcefield Optimization" +msgstr "Force field minimization, including scripts" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" -msgstr "" +msgstr "Autodetect (%1)" #: qtplugins/forcefield/obmmenergy.cpp:77 -#, fuzzy -#| msgid "Force Field" msgid "Universal Force Field" -msgstr "Force Field" +msgstr "Universal Force Field" #: qtplugins/forcefield/obmmenergy.cpp:82 msgid "Generalized Amber Force Field" -msgstr "" +msgstr "Generalized Amber Force Field" #: qtplugins/forcefield/obmmenergy.cpp:96 msgid "Merck Molecular Force Field 94" -msgstr "" +msgstr "Merck Molecular Force Field 94" #: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" -msgstr "" +msgstr "Error retrieving metadata for energy script: %1" #: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" -msgstr "" +msgstr "Error parsing metadata for energy script: %1" #: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format @@ -3026,26 +2941,24 @@ msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 -#, fuzzy -#| msgid "&GAMESS" msgid "&GAMESS…" -msgstr "&GAMESS" +msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 -#, fuzzy msgid "GAMESS input" -msgstr "GAMESS Input" +msgstr "GAMESS input" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." -msgstr "" +msgstr "Generate input for GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:225 -#, fuzzy msgid "Single Point" -msgstr "Single Point Energy" +msgstr "Single Point" #: qtplugins/gamessinput/gamessinputdialog.cpp:228 msgid "Equilibrium Geometry" @@ -3105,38 +3018,35 @@ msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:656 msgid "Save GAMESS input file" -msgstr "" +msgstr "Save GAMESS input file" #: qtplugins/gamessinput/gamessinputdialog.cpp:706 msgid "Submit GAMESS Calculation" -msgstr "" +msgstr "Submit GAMESS Calculation" #: qtplugins/hydrogens/hydrogens.cpp:21 -#, fuzzy msgid "&Adjust Hydrogens" -msgstr "Adjust Hydrogens" +msgstr "&Adjust Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:64 msgid "Add Hydrogens" msgstr "Add Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:32 -#, fuzzy msgid "Remove E&xtra Hydrogens" -msgstr "Remove Hydrogens" +msgstr "Remove E&xtra Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" -msgstr "" +msgstr "&Remove All Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." -msgstr "" +msgstr "Add/remove hydrogens from the current molecule." #: qtplugins/hydrogens/hydrogens.cpp:59 -#, fuzzy msgid "&Hydrogens" -msgstr "Hydrogens" +msgstr "&Hydrogens" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" @@ -3144,21 +3054,19 @@ msgstr "Hydrogens" #: qtplugins/importpqr/importpqr.cpp:24 msgid "&Search PQR…" -msgstr "" +msgstr "&Search PQR…" #: qtplugins/importpqr/importpqr.h:34 msgid "Import From PQR" -msgstr "" +msgstr "Import From PQR" #: qtplugins/importpqr/importpqr.h:38 msgid "Download a molecule from PQR." -msgstr "" +msgstr "Download a molecule from PQR." #: qtplugins/insertdna/insertdna.cpp:43 -#, fuzzy -#| msgid "DNA/RNA..." msgid "DNA/RNA…" -msgstr "DNA/RNA..." +msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 @@ -3167,10 +3075,8 @@ msgid "&Insert" msgstr "&Insert" #: qtplugins/insertdna/insertdna.cpp:79 -#, fuzzy -#| msgid "Insert DNA/RNA" msgid "Insert DNA/RNA…" -msgstr "Insert DNA/RNA" +msgstr "Insert DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:160 msgctxt "uracil" @@ -3197,41 +3103,34 @@ msgstr "Thymine" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1021 -#, fuzzy -#| msgid "Molecule" msgid "Insert Molecule…" -msgstr "Molecule" +msgstr "Insert Molecule…" #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" -msgstr "" +msgstr "Generating 3D molecule…" #: qtplugins/insertdna/insertdna.h:33 -#, fuzzy -#| msgid "Insert DNA" msgid "InsertDNA" msgstr "Insert DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." -msgstr "" +msgstr "Insert DNA / RNA fragments through a dialog." #: qtplugins/insertfragment/insertfragment.cpp:32 -#, fuzzy -#| msgid "Fragments" msgid "Fragment…" -msgstr "Fragments" +msgstr "Fragment…" #: qtplugins/insertfragment/insertfragment.cpp:38 -#, fuzzy msgid "Crystal…" -msgstr "Crystal..." +msgstr "Crystal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." -msgstr "" +msgstr "Error reading file (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) @@ -3244,14 +3143,12 @@ msgid "Insert Fragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:35 -#, fuzzy msgid "InsertFragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:60 -#, fuzzy msgid "Insert molecular fragments for building larger molecules." -msgstr "Insert molecular fragments for building larger molecules" +msgstr "Insert molecular fragments for building larger molecules." #: qtplugins/label/label.cpp:136 qtplugins/meshes/meshes.cpp:176 #: qtplugins/meshes/meshes.cpp:182 @@ -3276,12 +3173,11 @@ msgstr "None" #: qtplugins/label/label.cpp:162 msgid "Index" -msgstr "" +msgstr "Index" #: qtplugins/label/label.cpp:163 -#, fuzzy msgid "In." -msgstr "In:" +msgstr "In." #: qtplugins/label/label.cpp:167 qtplugins/propertytables/propertymodel.cpp:386 #: qtplugins/symmetry/operationstablemodel.cpp:63 @@ -3290,7 +3186,7 @@ msgstr "Element" #: qtplugins/label/label.cpp:168 msgid "El." -msgstr "" +msgstr "El." #: qtplugins/label/label.cpp:172 msgid "Element & Number" @@ -3298,46 +3194,41 @@ msgstr "Element & Number" #: qtplugins/label/label.cpp:173 msgid "El.&No." -msgstr "" +msgstr "El.&No." #: qtplugins/label/label.cpp:176 msgid ", " -msgstr "" +msgstr ", " #: qtplugins/label/label.cpp:187 -#, fuzzy msgid "Atom Label:" -msgstr "Atom Labels" +msgstr "Atom Label:" #: qtplugins/label/label.cpp:198 qtplugins/propertytables/propertymodel.cpp:431 -#, fuzzy msgid "ID" -msgstr "D" +msgstr "ID" #: qtplugins/label/label.cpp:202 #: qtplugins/plugindownloader/downloaderwidget.cpp:60 #: qtplugins/propertytables/propertymodel.cpp:429 msgid "Name" -msgstr "" +msgstr "Name" #: qtplugins/label/label.cpp:206 msgid " & " -msgstr "" +msgstr " & " #: qtplugins/label/label.cpp:218 -#, fuzzy msgid "Residue Label:" -msgstr "Residue name" +msgstr "Residue Label:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." -msgstr "" +msgstr "Display labels on ball-and-stick style." #: qtplugins/label/labeleditor.cpp:29 -#, fuzzy -#| msgid "Bond Labels" msgid "Edit Labels" -msgstr "Bond Labels" +msgstr "Edit Labels" #: qtplugins/label/labeleditor.cpp:32 msgid "" @@ -3345,29 +3236,29 @@ msgid "" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" +"Atom Label Tool\n" +"\n" +"Left Mouse: \tClick on Atoms to add Custom Labels" #: qtplugins/label/labeleditor.cpp:67 -#, fuzzy msgid "Create Label" -msgstr "Create Surfaces" +msgstr "Create Label" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" -msgstr "" +msgstr "Label editor tool" #: qtplugins/lammpsinput/lammpsinput.cpp:30 -#, fuzzy -#| msgid "&LAMMPS..." msgid "&LAMMPS…" -msgstr "&LAMMPS..." +msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" -msgstr "" +msgstr "LAMMPS input" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." -msgstr "" +msgstr "Generate input for LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" @@ -3379,83 +3270,63 @@ msgstr "" #: qtplugins/licorice/licorice.h:33 msgid "Render atoms as licorice / sticks." -msgstr "" +msgstr "Render atoms as licorice/sticks." #: qtplugins/lineformatinput/lineformatinput.cpp:31 -#, fuzzy msgid "SMILES…" -msgstr "SMILES..." +msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" -msgstr "" +msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 -#, fuzzy msgid "No descriptors found!" -msgstr "No Description" +msgstr "No descriptors found!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" -msgstr "" +msgstr "No line format readers found!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." -msgstr "" +msgstr "Unable to load requested format reader." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" -msgstr "" +msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." -msgstr "" +msgstr "Load single-line molecule descriptors through an input dialog." #: qtplugins/manipulator/manipulator.cpp:49 msgid "Manipulate" msgstr "Manipulate" #: qtplugins/manipulator/manipulator.cpp:52 -#, fuzzy -#| msgid "" -#| "Manipulation Tool (F10)\n" -#| "\n" -#| "Left Mouse: \tClick and drag to move atoms\n" -#| "Middle Mouse: Click and drag to move atoms further away or closer\n" -#| "Right Mouse: \tClick and drag to rotate selected atoms.\n" -#| "Double-Click: \tReset the view." msgid "" "Manipulation Tool\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate selected atoms.\n" msgstr "" -"Manipulation Tool (F10)\n" +"Manipulation Tool\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" -"Middle Mouse: Click and drag to move atoms further away or closer\n" "Right Mouse: \tClick and drag to rotate selected atoms.\n" -"Double-Click: \tReset the view." #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" -msgstr "" +msgstr "Manipulate tool" #: qtplugins/measuretool/measuretool.cpp:54 msgid "Measure" msgstr "Measure" #: qtplugins/measuretool/measuretool.cpp:57 -#, fuzzy -#| msgid "" -#| "Click to Measure (F12)\n" -#| "\n" -#| "Left Mouse: \tSelect up to three Atoms.\n" -#| "\tDistances are measured between 1-2 and 2-3\n" -#| "\tAngle is measured between 1-3 using 2 as the common point\n" -#| "Right Mouse: \tReset the measurements.Double-Click: \tReset the view." msgid "" "Measure Tool\n" "\n" @@ -3465,12 +3336,13 @@ msgid "" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" -"Click to Measure (F12)\n" +"Measure Tool\n" "\n" -"Left Mouse: \tSelect up to three Atoms.\n" +"Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" -"Right Mouse: \tReset the measurements.Double-Click: \tReset the view." +"\tDihedral is measured between 1-2-3-4\n" +"Right Mouse: \tReset the measurements." #: qtplugins/measuretool/measuretool.cpp:191 #: qtplugins/measuretool/measuretool.cpp:202 @@ -3482,15 +3354,13 @@ msgid "Angle:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.cpp:210 -#, fuzzy msgid "Angles:" -msgstr "Angle:" +msgstr "Angles:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 -#, fuzzy msgid "Measure tool" -msgstr "Measure" +msgstr "Measure tool" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) @@ -3500,25 +3370,22 @@ msgstr "Opacity:" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." -msgstr "" +msgstr "Render polygon meshes." #: qtplugins/molecularproperties/molecularproperties.cpp:21 -#, fuzzy -#| msgid "Molecular Graph..." msgid "&Molecular…" -msgstr "Molecular Graph..." +msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:33 msgid "View general properties of a molecule." -msgstr "" +msgstr "View general properties of a molecule." #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 #: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 -#, fuzzy msgid "&Analysis" -msgstr "Analytic" +msgstr "&Analysis" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 @@ -3545,26 +3412,22 @@ msgstr "(pending)" #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:116 #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:124 #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:140 -#, fuzzy msgid "unknown molecule" -msgstr "No molecule set" +msgstr "unknown molecule" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 -#, fuzzy -#| msgid "IUPAC Molecule Name:" msgid "Molecule Name:" -msgstr "IUPAC Molecule Name:" +msgstr "Molecule Name:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1087 -#, fuzzy msgid "Molecular Mass (g/mol):" -msgstr "Molecular Weight (g/mol):" +msgstr "Molecular Mass (g/mol):" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) @@ -3592,14 +3455,6 @@ msgid "Navigate" msgstr "Navigate" #: qtplugins/navigator/navigator.cpp:41 -#, fuzzy -#| msgid "" -#| "Navigation Tool (F9)\n" -#| "\n" -#| "Left Mouse: \tClick and drag to rotate the view.\n" -#| "Middle Mouse: Click and drag to zoom in or out.\n" -#| "Right Mouse: \tClick and drag to move the view.\n" -#| "Double-Click: \tReset the view." msgid "" "Navigation Tool\n" "\n" @@ -3607,22 +3462,23 @@ msgid "" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" -"Navigation Tool (F9)\n" +"Navigation Tool\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" -"Middle Mouse: Click and drag to zoom in or out.\n" +"Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" -"Double-Click: \tReset the view." #: qtplugins/navigator/navigator.cpp:59 msgid "Reverse Direction of Zoom on Scroll" -msgstr "" +msgstr "Reverse Direction of Zoom on Scroll" #: qtplugins/navigator/navigator.cpp:61 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" +"Default:\t Scroll down to shrink, scroll up to zoom\n" +"Reversed:\t Scroll up to shrink, scroll down to zoom" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" @@ -3634,82 +3490,76 @@ msgstr "Chemical Name" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" -msgstr "" +msgstr "Network Databases" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." -msgstr "" +msgstr "Interact with online databases, query structures etc." #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 -#, fuzzy -#| msgid "Tolerance:" msgid "Angle tolerance:" -msgstr "Tolerance:" +msgstr "Angle tolerance:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." -msgstr "" +msgstr "Render a few non-covalent interactions." #: qtplugins/noncovalent/noncovalent.h:53 -#, fuzzy -#| msgid "Hydrogen" msgid "Halogen" -msgstr "Hydrogen" +msgstr "Halogen" #: qtplugins/noncovalent/noncovalent.h:53 msgid "Chalcogen" -msgstr "" +msgstr "Chalcogen" #: qtplugins/openbabel/openbabel.cpp:52 -#, fuzzy msgid "Configure Force Field…" -msgstr "Setup Force Field..." +msgstr "Configure Force Field…" #: qtplugins/openbabel/openbabel.cpp:58 -#, fuzzy msgid "Perceive Bonds" -msgstr "Perceive bonds?" +msgstr "Perceive Bonds" #: qtplugins/openbabel/openbabel.cpp:70 -#, fuzzy msgid "Add Hydrogens for pH…" -msgstr "Add Hydrogens for pH" +msgstr "Add Hydrogens for pH…" #: qtplugins/openbabel/openbabel.cpp:76 -#, fuzzy msgid "Remove Hydrogens" msgstr "Remove Hydrogens" #: qtplugins/openbabel/openbabel.cpp:107 msgid "&Open Babel" -msgstr "" +msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:114 msgid "The Open Babel file formats are not ready to be added." -msgstr "" +msgstr "The Open Babel file formats are not ready to be added." #: qtplugins/openbabel/openbabel.cpp:199 msgid "Loading molecule from Open Babel…" -msgstr "" +msgstr "Loading molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:205 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" +"An internal error occurred: OpenBabel::readMolecule called, but no obabel " +"output is available to parse!" #: qtplugins/openbabel/openbabel.cpp:214 #, qt-format msgid "An error occurred while running Open Babel (%1)." -msgstr "" +msgstr "An error occurred while running Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:224 msgid "Error parsing openbabel output." -msgstr "" +msgstr "Error parsing openbabel output." #: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format @@ -3717,35 +3567,38 @@ msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" +"An error occurred while retrieving the list of supported force fields. (" +"using '%1')." #: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." -msgstr "" +msgstr "Molecule invalid. Cannot optimize geometry." #: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." -msgstr "" +msgstr "Cannot optimize geometry with Open Babel." #: qtplugins/openbabel/openbabel.cpp:432 -#, fuzzy msgid "Optimizing Geometry (Open Babel)" -msgstr "&Optimise Geometry" +msgstr "Optimizing Geometry (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" -msgstr "" +msgstr "Generating MDL…" #: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" +"An internal error occurred while generating an Open Babel representation of " +"the current molecule." #: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" -msgstr "" +msgstr "Starting %1…" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format @@ -3754,16 +3607,18 @@ msgid "" "Current energy: %3\n" "dE: %4" msgstr "" +"Step %1 of %2\n" +"Current energy: %3\n" +"dE: %4" #: qtplugins/openbabel/openbabel.cpp:494 -#, fuzzy msgid "Updating molecule…" -msgstr "No molecule set" +msgstr "Updating molecule…" #: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 #: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." -msgstr "" +msgstr "Error interpreting Open Babel output." #: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format @@ -3771,125 +3626,123 @@ msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" +"Number of atoms in obabel output (%1) does not match the number of atoms in " +"the original molecule (%2)." #: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." -msgstr "" +msgstr "Cannot open file with Open Babel." #: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." -msgstr "" +msgstr "Invalid molecule: Cannot perceive bonds." #: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" -msgstr "" +msgstr "Perceiving Bonds (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" -msgstr "" +msgstr "Generating XYZ representation…" #: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." -msgstr "" +msgstr "Error generating XYZ string." #: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" -msgstr "" +msgstr "Converting XYZ to Open Babel with %1…" #: qtplugins/openbabel/openbabel.cpp:575 -#, fuzzy msgid "Updating molecule from Open Babel…" -msgstr "No molecule set" +msgstr "Updating molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." -msgstr "" +msgstr "Cannot add hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 -#, fuzzy msgid "Adding Hydrogens (Open Babel)" -msgstr "Add Hydrogens" +msgstr "Adding Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" -msgstr "" +msgstr "Generating Open Babel input…" #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." -msgstr "" +msgstr "Error generating Open Babel input." #: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 #: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" -msgstr "" +msgstr "Running %1…" #: qtplugins/openbabel/openbabel.cpp:676 -#, fuzzy msgid "Add hydrogens for pH" -msgstr "Add Hydrogens for pH" +msgstr "Add hydrogens for pH" #: qtplugins/openbabel/openbabel.cpp:676 -#, fuzzy msgid "pH:" -msgstr "pH" +msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" -msgstr "" +msgstr "Generating obabel input…" #: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." -msgstr "" +msgstr "Cannot remove hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:724 -#, fuzzy msgid "Removing Hydrogens (Open Babel)" -msgstr "Remove Hydrogens" +msgstr "Removing Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." -msgstr "" +msgstr "Error generating Open Babel data." #: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" -msgstr "" +msgstr "Reading obabel output…" #: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" +"Already running Open Babel. Wait for the other operation to complete and try " +"again." #: qtplugins/openbabel/openbabel.h:36 msgid "OpenBabel" -msgstr "" +msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:40 msgid "Interact with OpenBabel utilities." -msgstr "" +msgstr "Interact with OpenBabel utilities." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" -msgstr "" +msgstr "&OpenMM Script…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" -msgstr "" +msgstr "OpenMM input" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." -msgstr "" +msgstr "Generate input for OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 -#, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Would you like to update the preview text, losing all changes made in the " -"MOPAC input deck preview pane?" +"OpenMM input deck preview pane?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 @@ -3897,7 +3750,7 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" -msgstr "" +msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 @@ -3905,32 +3758,32 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" -msgstr "" +msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1201 msgid "input.prmtop" -msgstr "" +msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" -msgstr "" +msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" -msgstr "" +msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" -msgstr "" +msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" -msgstr "" +msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) @@ -3941,7 +3794,7 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1318 rc.cpp:1333 msgid "True" -msgstr "" +msgstr "True" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" @@ -3949,25 +3802,23 @@ msgstr "Reference Axes" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" -msgstr "" +msgstr "Reference Axes Overlay" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." -msgstr "" +msgstr "Render reference axes in the corner of the display." #: qtplugins/playertool/playertool.cpp:52 msgid "Player" -msgstr "" +msgstr "Player" #: qtplugins/playertool/playertool.cpp:54 -#, fuzzy -#| msgid "Animation" msgid "Animation Tool" -msgstr "Animation" +msgstr "Animation Tool" #: qtplugins/playertool/playertool.cpp:69 msgid "Play" -msgstr "" +msgstr "Play" #: qtplugins/playertool/playertool.cpp:72 msgid "Stop" @@ -3975,90 +3826,87 @@ msgstr "Stop" #: qtplugins/playertool/playertool.cpp:83 msgid "Frame rate:" -msgstr "" +msgstr "Frame rate:" #: qtplugins/playertool/playertool.cpp:89 msgctxt "frames per second" msgid " FPS" -msgstr "" +msgstr " FPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:113:1678 -#, fuzzy msgid "Frame:" -msgstr "Frames" +msgstr "Frame:" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 #: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" -msgstr "" +msgstr " of %0" #: qtplugins/playertool/playertool.cpp:131 -#, fuzzy msgid "Dynamic bonding?" -msgstr "Dynamic Bonds" +msgstr "Dynamic bonding?" #: qtplugins/playertool/playertool.cpp:139 msgid "Record Movie…" -msgstr "" +msgstr "Record Movie…" #: qtplugins/playertool/playertool.cpp:243 #: qtplugins/playertool/playertool.cpp:348 msgid "Movie (*.mp4)" -msgstr "" +msgstr "Movie (*.mp4)" #: qtplugins/playertool/playertool.cpp:245 msgid "Export Bitmap Graphics" -msgstr "" +msgstr "Export Bitmap Graphics" #: qtplugins/playertool/playertool.cpp:246 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" -msgstr "" +msgstr "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" -msgstr "" +msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:266 msgid "GIF FPS support warning" -msgstr "" +msgstr "GIF FPS support warning" #: qtplugins/playertool/playertool.cpp:267 msgid "The GIF file format does not support frame rates over 100 FPS." -msgstr "" +msgstr "The GIF file format does not support frame rates over 100 FPS." #: qtplugins/playertool/playertool.cpp:312 -#, fuzzy msgid "Movie (*.avi)" -msgstr "video files (*.avi)" +msgstr "Movie (*.avi)" #: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." -msgstr "" +msgstr "Error: cannot add frame to video." #: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." -msgstr "" +msgstr "Cannot save file %1." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" -msgstr "" +msgstr "Player tool" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" -msgstr "" +msgstr "Play back trajectories" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" -msgstr "" +msgstr "Plot Pair Distribution Function…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" -msgstr "" +msgstr "Failed to generate PDF pattern" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " @@ -4066,43 +3914,43 @@ msgstr "Error message: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" -msgstr "" +msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." -msgstr "" +msgstr "Generate and plot a Pair Distribution Function curve." #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" -msgstr "" +msgstr "Plot RMSD curve…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" -msgstr "" +msgstr "PlotRmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." -msgstr "" +msgstr "Generate and plot an RMSD curve." #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" -msgstr "" +msgstr "Plot Theoretical XRD Pattern…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" -msgstr "" +msgstr "Failed to generate XRD pattern" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." -msgstr "" +msgstr "Failed to convert molecule to CIF format." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" -msgstr "" +msgstr "Data read from genXrdPattern appears to be corrupt!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" -msgstr "" +msgstr "Error: could not find genXrdPattern executable!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 @@ -4112,110 +3960,104 @@ msgstr "Error: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" -msgstr "" +msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." -msgstr "" +msgstr "Generate and plot a theoretical XRD pattern using ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:60 msgid "Update" -msgstr "" +msgstr "Update" #: qtplugins/plugindownloader/downloaderwidget.cpp:60 msgid "Version" -msgstr "" +msgstr "Version" #: qtplugins/plugindownloader/downloaderwidget.cpp:61 msgid "Description" -msgstr "" +msgstr "Description" #: qtplugins/plugindownloader/downloaderwidget.cpp:321 #, qt-format msgid "Downloading %1 to %2\n" -msgstr "" +msgstr "Downloading %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:334 #, qt-format msgid "Extracting %1 to %2\n" -msgstr "" +msgstr "Extracting %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:337 #, qt-format msgid "Finished %1 files\n" -msgstr "" +msgstr "Finished %1 files\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:341 msgid "Extraction successful\n" -msgstr "" +msgstr "Extraction successful\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:371 #, qt-format msgid "Error while extracting: %1" -msgstr "" +msgstr "Error while extracting: %1" #: qtplugins/plugindownloader/plugindownloader.cpp:27 msgid "Download Plugins…" -msgstr "" +msgstr "Download Plugins…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" -msgstr "" +msgstr "Download Plugins" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." -msgstr "" +msgstr "Download plugins from GitHub repositories." #: qtplugins/ply/ply.cpp:29 -#, fuzzy msgid "PLY Render…" -msgstr "POV-Ray" +msgstr "PLY Render…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 -#, fuzzy msgid "Save File" -msgstr "Save Video File" +msgstr "Save File" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" -msgstr "" +msgstr "PLY (*.ply);;Text file (*.txt)" #: qtplugins/ply/ply.h:25 -#, fuzzy -#| msgid "B2PLYP" msgid "PLY" -msgstr "B2PLYP" +msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." -msgstr "" +msgstr "Render the scene using PLY." #: qtplugins/povray/povray.cpp:29 -#, fuzzy msgid "POV-Ray Render…" -msgstr "POV-Ray" +msgstr "POV-Ray Render…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" -msgstr "" +msgstr "POV-Ray (*.pov);;Text file (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" -msgstr "" +msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." -msgstr "" +msgstr "Render the scene using POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:388 msgid "Valence" msgstr "Valence" #: qtplugins/propertytables/propertymodel.cpp:390 -#, fuzzy msgid "Formal Charge" -msgstr "Formal charge" +msgstr "Formal Charge" #: qtplugins/propertytables/propertymodel.cpp:392 msgid "Partial Charge" @@ -4235,9 +4077,8 @@ msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:400 #: qtplugins/propertytables/propertymodel.cpp:439 -#, fuzzy msgid "Color" -msgstr "Colour:" +msgstr "Colour" #: qtplugins/propertytables/propertymodel.cpp:403 msgid "Atom" @@ -4255,41 +4096,34 @@ msgid "Start Atom" msgstr "Start Atom" #: qtplugins/propertytables/propertymodel.cpp:414 -#, fuzzy msgid "End Atom" msgstr "End Atom" #: qtplugins/propertytables/propertymodel.cpp:416 -#, fuzzy msgid "Bond Order" -msgstr "Bond Order:" +msgstr "Bond Order" #: qtplugins/propertytables/propertymodel.cpp:418 -#, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" -msgstr "Length %1" +msgstr "Length (Å)" #: qtplugins/propertytables/propertymodel.cpp:433 -#, fuzzy msgid "Chain" -msgstr "NH Chains" +msgstr "Chain" #: qtplugins/propertytables/propertymodel.cpp:435 -#, fuzzy msgid "Secondary Structure" -msgstr "Load File" +msgstr "Secondary Structure" #: qtplugins/propertytables/propertymodel.cpp:437 -#, fuzzy msgid "Heterogen" -msgstr "Hydrogen" +msgstr "Heterogen" #: qtplugins/propertytables/propertymodel.cpp:451 #: qtplugins/propertytables/propertymodel.cpp:468 -#, fuzzy msgid "Atom 1" -msgstr "Atom %1" +msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:453 msgid "Vertex" @@ -4297,117 +4131,95 @@ msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:455 #: qtplugins/propertytables/propertymodel.cpp:472 -#, fuzzy msgid "Atom 3" -msgstr "Atom" +msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:457 #: qtplugins/propertytables/propertymodel.cpp:476 -#, fuzzy msgid "Angle (°)" -msgstr "Angle: %L1 °" +msgstr "Angle (°)" #: qtplugins/propertytables/propertymodel.cpp:470 -#, fuzzy msgid "Atom 2" -msgstr "Atom" +msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:474 -#, fuzzy msgid "Atom 4" -msgstr "Atom" +msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:664 -#, fuzzy -#| msgid "Insert Fragment" msgid "Adjust Fragment" -msgstr "Insert Fragment" +msgstr "Adjust Fragment" #: qtplugins/propertytables/propertymodel.cpp:790 -#, fuzzy msgctxt "pi helix" msgid "π Helix" -msgstr "Helix" +msgstr "π-Helix" #: qtplugins/propertytables/propertymodel.cpp:792 msgctxt "protein bend secondary structure" msgid "Bend" -msgstr "" +msgstr "Bend" #: qtplugins/propertytables/propertymodel.cpp:794 -#, fuzzy msgctxt "alpha helix" msgid "α Helix" -msgstr "Helix" +msgstr "α-Helix" #: qtplugins/propertytables/propertymodel.cpp:796 -#, fuzzy msgctxt "beta sheet" msgid "β Sheet" -msgstr "Sheet" +msgstr "β-Sheet" #: qtplugins/propertytables/propertymodel.cpp:798 -#, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" -msgstr "3-10 Helix" +msgstr "3-10 helix" #: qtplugins/propertytables/propertymodel.cpp:800 msgctxt "beta bridge" msgid "β Bridge" -msgstr "" +msgstr "β-Bridge" #: qtplugins/propertytables/propertymodel.cpp:802 msgctxt "protein turn secondary structure" msgid "Turn" -msgstr "" +msgstr "Turn" #: qtplugins/propertytables/propertymodel.cpp:804 msgctxt "protein coil secondary structure" msgid "Coil" -msgstr "" +msgstr "Coil" #: qtplugins/propertytables/propertytables.cpp:27 -#, fuzzy -#| msgid "Atom Properties" msgid "Atom Properties…" -msgstr "Atom Properties" +msgstr "Atom Properties…" #: qtplugins/propertytables/propertytables.cpp:34 -#, fuzzy -#| msgid "Bond Properties" msgid "Bond Properties…" -msgstr "Bond Properties" +msgstr "Bond Properties…" #: qtplugins/propertytables/propertytables.cpp:41 -#, fuzzy -#| msgid "Angle Properties" msgid "Angle Properties…" -msgstr "Angle Properties" +msgstr "Angle Properties…" #: qtplugins/propertytables/propertytables.cpp:48 -#, fuzzy -#| msgid "Torsion Properties" msgid "Torsion Properties…" -msgstr "Torsion Properties" +msgstr "Torsion Properties…" #: qtplugins/propertytables/propertytables.cpp:55 -#, fuzzy msgid "Residue Properties…" -msgstr "Molecule Properties" +msgstr "Residue Properties…" #: qtplugins/propertytables/propertytables.cpp:67 -#, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" -"Windows for displaying atom, bond, angle and torsion properties. It also " -"includes a Cartesian coordinate editor." +"Tables for displaying and editng atom, bond, angle, and torsion properties." #: qtplugins/propertytables/propertytables.h:29 -#, fuzzy msgid "PropertyTables" -msgstr "Properties" +msgstr "PropertyTables" #: qtplugins/propertytables/propertyview.cpp:31 msgid "Atom Properties" @@ -4430,9 +4242,8 @@ msgid "Conformer Properties" msgstr "Conformer Properties" #: qtplugins/propertytables/propertyview.cpp:46 -#, fuzzy msgid "Residue Properties" -msgstr "Molecule Properties" +msgstr "Residue Properties" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Molecule Properties" @@ -4448,22 +4259,16 @@ msgid "Renders primitives using QTAIM properties" msgstr "Renders primitives using QTAIM properties" #: qtplugins/qtaim/qtaimextension.cpp:46 -#, fuzzy -#| msgid "Molecular Graph..." msgid "Molecular Graph…" -msgstr "Molecular Graph..." +msgstr "Molecular Graph…" #: qtplugins/qtaim/qtaimextension.cpp:53 -#, fuzzy -#| msgid "Molecular Graph with Lone Pairs..." msgid "Molecular Graph with Lone Pairs…" -msgstr "Molecular Graph with Lone Pairs..." +msgstr "Molecular Graph with Lone Pairs…" #: qtplugins/qtaim/qtaimextension.cpp:60 -#, fuzzy -#| msgid "Atomic Charge..." msgid "Atomic Charge…" -msgstr "Atomic Charge..." +msgstr "Atomic Charge…" #: qtplugins/qtaim/qtaimextension.cpp:109 msgid "Open WFN File" @@ -4482,119 +4287,104 @@ msgid "" "Select the python interpreter used to run input generator scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" +"Select the Python interpreter used to run input generator scripts.\n" +"Avogadro must be restarted for any changes to take effect." #: qtplugins/quantuminput/quantuminput.cpp:230 msgid "Set Python Path…" -msgstr "" +msgstr "Set Python Path…" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" -msgstr "" +msgstr "Quantum input" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." -msgstr "" +msgstr "Generate input for quantum codes." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" -msgstr "" +msgstr "Centre" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" -msgstr "" +msgstr "Align View to Axes" #: qtplugins/resetview/resetview.cpp:52 -#, fuzzy -#| msgid "Align Settings" msgid "Align view to axes." -msgstr "Align Settings" +msgstr "Align view to axes." #: qtplugins/resetview/resetview.h:26 -#, fuzzy msgid "Reset view" -msgstr "Reset" +msgstr "Reset view" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." -msgstr "" +msgstr "Manipulate the view camera." #: qtplugins/scriptcharges/scriptcharges.h:32 -#, fuzzy -#| msgid "Charge:" msgid "Script Charge Models" -msgstr "Charge:" +msgstr "Script Charge Models" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." -msgstr "" +msgstr "Load electrostatic models from external scripts." #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" -msgstr "" +msgstr "Script File Formats" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." -msgstr "" +msgstr "Load file reader/writers from external scripts." #: qtplugins/select/select.cpp:31 msgid "Select All" -msgstr "" +msgstr "Select All" #: qtplugins/select/select.cpp:37 msgid "Select None" -msgstr "" +msgstr "Select None" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:516 msgid "Invert Selection" -msgstr "" +msgstr "Invert Selection" #: qtplugins/select/select.cpp:53 -#, fuzzy -#| msgid "Select by Element..." msgid "Select by Element…" -msgstr "Select by Element..." +msgstr "Select by Element…" #: qtplugins/select/select.cpp:58 -#, fuzzy msgid "Select by Atom Index…" -msgstr "Atom Indices" +msgstr "Select by Atom Index…" #: qtplugins/select/select.cpp:63 -#, fuzzy -#| msgid "Select by Residue..." msgid "Select by Residue…" -msgstr "Select by Residue..." +msgstr "Select by Residue…" #: qtplugins/select/select.cpp:68 -#, fuzzy msgid "Select Backbone Atoms…" -msgstr "Atom Indices" +msgstr "Select Backbone Atoms…" #: qtplugins/select/select.cpp:73 -#, fuzzy msgid "Select Sidechain Atoms…" -msgstr "Atom Indices" +msgstr "Select Sidechain Atoms…" #: qtplugins/select/select.cpp:78 -#, fuzzy msgid "Select Water…" -msgstr "Atom Indices" +msgstr "Select Water…" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:352 -#, fuzzy -#| msgid "Ignore Selection" msgid "Enlarge Selection" -msgstr "Ignore Selection" +msgstr "Enlarge Selection" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:387 -#, fuzzy -#| msgid "Selection" msgid "Shrink Selection" -msgstr "Selection" +msgstr "Shrink Selection" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" -msgstr "" +msgstr "Create New Layer from Selection" #: qtplugins/select/select.cpp:117 msgid "Change selections" @@ -4605,58 +4395,48 @@ msgid "&Select" msgstr "&Select" #: qtplugins/select/select.cpp:180 -#, fuzzy -#| msgid "Select by Element..." msgid "Select Element" -msgstr "Select by Element..." +msgstr "Select Element" #: qtplugins/select/select.cpp:216 -#, fuzzy msgid "Select Water" -msgstr "Atom Indices" +msgstr "Select Water" #: qtplugins/select/select.cpp:254 -#, fuzzy msgid "Select Backbone" -msgstr "Atom Indices" +msgstr "Select Backbone" #: qtplugins/select/select.cpp:288 -#, fuzzy msgid "Select Sidechain" -msgstr "Atom Indices" +msgstr "Select Sidechain" #: qtplugins/select/select.cpp:409 msgid "Select Atoms by Index" -msgstr "" +msgstr "Select Atoms by Index" #: qtplugins/select/select.cpp:410 msgid "Atoms to Select:" -msgstr "" +msgstr "Atoms to Select:" #: qtplugins/select/select.cpp:415 -#, fuzzy -#| msgid "Delete Atom" msgid "Select Atom" -msgstr "Delete Atom" +msgstr "Select Atom" #: qtplugins/select/select.cpp:448 msgid "Select Atoms by Residue" -msgstr "" +msgstr "Select Atoms by Residue" #: qtplugins/select/select.cpp:449 msgid "Residues to Select:" -msgstr "" +msgstr "Residues to Select:" #: qtplugins/select/select.cpp:454 -#, fuzzy -#| msgid "Select by Residue..." msgid "Select Residue" -msgstr "Select by Residue..." +msgstr "Select Residue" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1717 -#, fuzzy msgid "Select" msgstr "&Select" @@ -4665,15 +4445,6 @@ msgid "Selection" msgstr "Selection" #: qtplugins/selectiontool/selectiontool.cpp:53 -#, fuzzy -#| msgid "" -#| "Selection Tool (F11)\n" -#| "\n" -#| "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" -#| "\tDrag to select a range of atoms\n" -#| "Right Mouse: \tClick outside the molecule to clear selection\n" -#| "Use Ctrl to toggle the selection and shift to add to the selection.\n" -#| "Double-Click: \tSelect an entire fragment." msgid "" "Selection Tool\n" "\n" @@ -4683,7 +4454,7 @@ msgid "" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" -"Selection Tool (F11)\n" +"Selection Tool\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" @@ -4692,25 +4463,21 @@ msgstr "" "Double-Click: \tSelect an entire fragment." #: qtplugins/selectiontool/selectiontool.cpp:238 -#, fuzzy msgid "Paint Atoms" -msgstr "Start Atom" +msgstr "Paint Atoms" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" -msgstr "" +msgstr "Selection tool" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 -#, fuzzy -#| msgid "New Label:" msgid "New Layer" -msgstr "New Label:" +msgstr "New Layer" #: qtplugins/spacegroup/spacegroup.cpp:50 -#, fuzzy msgid "Perceive Space Group…" -msgstr "Perceive Space group" +msgstr "Perceive Space Group…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) @@ -4719,10 +4486,8 @@ msgid "Symmetrize" msgstr "Symmetrise" #: qtplugins/spacegroup/spacegroup.cpp:73 -#, fuzzy -#| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" -msgstr "Fill Unit Cell" +msgstr "Fill Unit Cell…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:315 @@ -4730,36 +4495,32 @@ msgid "Reduce to Asymmetric Unit" msgstr "Reduce to Asymmetric Unit" #: qtplugins/spacegroup/spacegroup.cpp:84 -#, fuzzy msgid "Set Tolerance…" -msgstr "Tolerance:" +msgstr "Set Tolerance…" #: qtplugins/spacegroup/spacegroup.cpp:105 -#, fuzzy msgid "Space Group" -msgstr "Space &group" +msgstr "Space Group" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." -msgstr "" +msgstr "Fill symmetric atoms based on the crystal space group." #: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" -msgstr "" +msgstr "Failure" #: qtplugins/spacegroup/spacegroup.cpp:200 -#, fuzzy msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Space group perception failed.\n" -"\n" "Would you like to try again with a different tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" -msgstr "" +msgstr "Primitive Reduction" #: qtplugins/spacegroup/spacegroup.cpp:216 #: qtplugins/spacegroup/spacegroup.cpp:241 @@ -4769,35 +4530,42 @@ msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" +"The tolerance is currently set to: %1.\n" +"Proceed with this tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" +"Primitive reduction failed.\n" +"Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" +"Conventionalize cell failed.\n" +"Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" +"Symmetrization failed.\n" +"Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 -#, fuzzy msgid "Avogadro2" -msgstr "Avogadro" +msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" -msgstr "" +msgstr "Select tolerance in Å:" #: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" @@ -4812,64 +4580,58 @@ msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:366 -#, fuzzy msgid "Select Space Group" -msgstr "Select spacegroup" +msgstr "Select Space Group" #: qtplugins/spacegroup/spacegroup.h:24 -#, fuzzy msgid "SpaceGroup" -msgstr "Space &group" +msgstr "SpaceGroup" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." -msgstr "" +msgstr "Space group features for crystals." #: qtplugins/spectra/spectra.cpp:27 -#, fuzzy msgid "Vibrational Modes…" -msgstr "Vibrations" +msgstr "Vibrational Modes…" #: qtplugins/spectra/spectra.cpp:64 msgid "Show the vibrational modes dialog." -msgstr "" +msgstr "Show the vibrational modes dialog." #: qtplugins/spectra/spectra.cpp:65 -#, fuzzy -#| msgid "Set Fractional Coordinates" msgid "Set the vibrational mode." -msgstr "Set Fractional Coordinates" +msgstr "Set the vibrational mode." #: qtplugins/spectra/spectra.cpp:67 msgid "Set the vibrational amplitude." -msgstr "" +msgstr "Set the vibrational amplitude." #: qtplugins/spectra/spectra.cpp:69 msgid "Start the vibrational animation." -msgstr "" +msgstr "Start the vibrational animation." #: qtplugins/spectra/spectra.cpp:71 msgid "Stop the vibrational animation." -msgstr "" +msgstr "Stop the vibrational animation." #: qtplugins/spectra/spectra.h:32 msgid "Spectra and Vibrations" -msgstr "" +msgstr "Spectra and Vibrations" #: qtplugins/spectra/spectra.h:36 msgid "Display spectra and vibrational modes." -msgstr "" +msgstr "Display spectra and vibrational modes." #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" -msgstr "" +msgstr "Solvent Accessible" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" -msgstr "" +msgstr "Solvent Excluded" #: qtplugins/surfaces/surfacedialog.cpp:162 -#, fuzzy msgid "Molecular Orbital" msgstr "Molecular Orbital" @@ -4878,104 +4640,89 @@ msgid "Electron Density" msgstr "Electron Density" #: qtplugins/surfaces/surfacedialog.cpp:172 -#, fuzzy -#| msgid "Intensity" msgid "Spin Density" -msgstr "Intensity" +msgstr "Spin Density" #: qtplugins/surfaces/surfacedialog.cpp:184 -#, fuzzy, qt-format +#, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:186 -#, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:188 -#, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" -msgstr "" +msgstr "From File" #: qtplugins/surfaces/surfaces.cpp:82 -#, fuzzy -#| msgid "Create Surfaces" msgid "Create Surfaces…" -msgstr "Create Surfaces" +msgstr "Create Surfaces…" #: qtplugins/surfaces/surfaces.cpp:110 -#, fuzzy -#| msgid "Renders atoms as Van der Waals spheres" msgid "Render the van der Waals surface." -msgstr "Renders atoms as Van der Waals spheres" +msgstr "Render the van der Waals surface." #: qtplugins/surfaces/surfaces.cpp:112 -#, fuzzy -#| msgid "Renders atoms as Van der Waals spheres" msgid "Render the van der Waals molecular surface." -msgstr "Renders atoms as Van der Waals spheres" +msgstr "Render the van der Waals molecular surface." #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the solvent-accessible molecular surface." -msgstr "" +msgstr "Render the solvent-accessible molecular surface." #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-excluded molecular surface." -msgstr "" +msgstr "Render the solvent-excluded molecular surface." #: qtplugins/surfaces/surfaces.cpp:117 qtplugins/surfaces/surfaces.cpp:118 -#, fuzzy msgid "Render a molecular orbital." -msgstr "Molecular Orbital" +msgstr "Render a molecular orbital." #: qtplugins/surfaces/surfaces.cpp:120 -#, fuzzy msgid "Render the electron density." -msgstr "Calculating Electron Density" +msgstr "Render the electron density." #: qtplugins/surfaces/surfaces.cpp:121 msgid "Render the spin density." -msgstr "" +msgstr "Render the spin density." #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render a cube supplied with the file." -msgstr "" +msgstr "Render a cube supplied with the file." #: qtplugins/surfaces/surfaces.cpp:571 -#, fuzzy msgid "Calculating electron density" -msgstr "Calculating Electron Density" +msgstr "Calculating electron density" #: qtplugins/surfaces/surfaces.cpp:580 -#, fuzzy msgid "Calculating spin density" -msgstr "Calculating Electron Density" +msgstr "Calculating spin density" #: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" -msgstr "" +msgstr "Calculating molecular orbital %L1" #: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" -msgstr "" +msgstr "Movie AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:837 -#, fuzzy msgid "Export Movie" -msgstr "E&xport Image" +msgstr "Export Movie" #: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" -msgstr "" +msgstr "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" @@ -4983,15 +4730,15 @@ msgstr "Surfaces" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." -msgstr "" +msgstr "Read and render surfaces." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" -msgstr "" +msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" -msgstr "" +msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" @@ -4999,17 +4746,15 @@ msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." -msgstr "" +msgstr "Render the scene in a SVG file." #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" -msgstr "" +msgstr "Class" #: qtplugins/symmetry/symmetry.cpp:41 -#, fuzzy -#| msgid "Symmetry" msgid "Symmetry…" -msgstr "Symmetry" +msgstr "Symmetry…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) @@ -5019,49 +4764,42 @@ msgstr "Symmetry" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." -msgstr "" +msgstr "Provide symmetry functionality." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." -msgstr "" +msgstr "Render symmetry elements." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:340 -#, fuzzy, qt-format +#, qt-format msgid "Group %1" -msgstr "Group Name" +msgstr "Group %1" #: qtplugins/symmetry/symmetrywidget.cpp:348 #, qt-format msgid "%1 %2" -msgstr "" +msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 -#, fuzzy -#| msgid "Temperature" msgid "Template" -msgstr "Temperature" +msgstr "Template" #: qtplugins/templatetool/templatetool.cpp:294 -#, fuzzy -#| msgid "Insert Peptide" msgid "Insert Template" -msgstr "Insert Peptide" +msgstr "Insert Template" #: qtplugins/templatetool/templatetool.cpp:544 -#, fuzzy -#| msgid "Insert Peptide" msgid "Insert Ligand" -msgstr "Insert Peptide" +msgstr "Insert Ligand" #: qtplugins/templatetool/templatetool.h:34 #: qtplugins/templatetool/templatetool.h:35 -#, fuzzy msgid "Template tool" -msgstr "Measure" +msgstr "Template tool" #: qtplugins/templatetool/templatetoolwidget.cpp:288 msgid "Other..." @@ -5069,20 +4807,19 @@ msgstr "Other..." #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." -msgstr "" +msgstr "Simple display of VdW spheres." #: qtplugins/vanderwaalsao/vanderwaalsao.h:33 msgid "Simple display of VdW spheres with ambient occlusion." -msgstr "" +msgstr "Simple display of VdW spheres with ambient occlusion." #: qtplugins/vrml/vrml.cpp:29 -#, fuzzy msgid "VRML Render…" -msgstr "POV-Ray" +msgstr "VRML Render…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" -msgstr "" +msgstr "VRML (*.wrl);;Text file (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" @@ -5090,25 +4827,23 @@ msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." -msgstr "" +msgstr "Render the scene using VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." -msgstr "" +msgstr "Render the molecule as a wireframe." #: qtplugins/yaehmop/yaehmop.cpp:91 -#, fuzzy -#| msgid "Calculated Spectra:" msgid "Calculate Band Structure…" -msgstr "Calculated Spectra:" +msgstr "Calculate Band Structure…" #: qtplugins/yaehmop/yaehmop.cpp:112 msgid "&Yaehmop" -msgstr "" +msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:210 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" -msgstr "" +msgstr "Cannot calculate band structure: no unit cell!" #: qtplugins/yaehmop/yaehmop.cpp:300 #, qt-format @@ -5116,47 +4851,50 @@ msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" +"Yaehmop execution failed with the following error:\n" +"%1" #: qtplugins/yaehmop/yaehmop.cpp:310 msgid "Failed to read band structure output from Yaehmop!" -msgstr "" +msgstr "Failed to read band structure output from Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:322 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" +"Only one special k point was found in Yaehmop output! Two or more are " +"required!" #: qtplugins/yaehmop/yaehmop.cpp:368 #, qt-format msgid "Band %1" -msgstr "" +msgstr "Band %1" #: qtplugins/yaehmop/yaehmop.cpp:388 msgid "Fermi Level" -msgstr "" +msgstr "Fermi Level" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" -msgstr "" +msgstr "Cannot find Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:545 -#, fuzzy, qt-format -#| msgid "G03 failed to start." +#, qt-format msgid "Error: %1 failed to start" -msgstr "G03 failed to start." +msgstr "Error: %1 failed to start" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" -msgstr "" +msgstr "Yaehmop Input" #: qtplugins/yaehmop/yaehmop.h:39 msgid "Yaehmop" -msgstr "" +msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:88 msgid "Perform extended Hückel calculations with yaehmop." -msgstr "" +msgstr "Perform extended Hückel calculations with yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) @@ -5185,12 +4923,12 @@ msgstr "Form" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" -msgstr "" +msgstr "Calculation Settings" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" -msgstr "" +msgstr "Placeholder text…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) @@ -5199,35 +4937,32 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" -msgstr "" +msgstr "Reset" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" -msgstr "" +msgstr "Debug Script…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) -#, fuzzy -#| msgid "Calculation:" msgid "Submit Calculation…" -msgstr "Calculation:" +msgstr "Submit Calculation…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -#, fuzzy msgid "Save Input…" -msgstr "&Save Image..." +msgstr "Save Input…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" -msgstr "" +msgstr "Queue and Program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" -msgstr "" +msgstr "Refresh" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) @@ -5235,11 +4970,13 @@ msgid "" "

Number of processor cores to reserve for this job." msgstr "" +"

Number of processor cores to reserve for this " +"job.

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" -msgstr "" +msgstr "Processor cores:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) @@ -5248,11 +4985,14 @@ msgid "" "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" +"

Delete remote working files upon job completion. " +"Results will still be copied to the local MoleQueue job cache " +"first.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" -msgstr "" +msgstr "Delete remote files when finished:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) @@ -5260,11 +5000,13 @@ msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" +"

Check to prevent this job from showing up in the " +"MoleQueue GUI by default.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" -msgstr "" +msgstr "Hide job in MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) @@ -5272,51 +5014,53 @@ msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" +"

Show a system popup notification when the job's status " +"changes.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" -msgstr "" +msgstr "Show progress notifications:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" -msgstr "" +msgstr "Open output when finished:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" -msgstr "" +msgstr "Rename Elements" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" -msgstr "" +msgstr "3DMol HTML Snippet" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" -msgstr "" +msgstr "&Copy to Clipboard" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" -msgstr "" +msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" -msgstr "" +msgstr "Structure Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" -msgstr "" +msgstr "Generate Input From PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" -msgstr "" +msgstr "PDB File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) @@ -5333,62 +5077,62 @@ msgstr "Force Field:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" -msgstr "" +msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" -msgstr "" +msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" -msgstr "" +msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" -msgstr "" +msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" -msgstr "" +msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" -msgstr "" +msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" -msgstr "" +msgstr "Run PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" -msgstr "" +msgstr "Load Existing PQR File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" -msgstr "" +msgstr "PQR File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" -msgstr "" +msgstr "APBS Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" -msgstr "" +msgstr "Save Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" -msgstr "" +msgstr "Run APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) @@ -5397,89 +5141,83 @@ msgstr "Success!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) -#, fuzzy msgid "Load Structure File" -msgstr "Load File" +msgstr "Load Structure File" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) -#, fuzzy msgid "Load Cube File" -msgstr "Load File" +msgstr "Load Cube File" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) -#, fuzzy -#| msgid "Partial Charge" msgid "Partial Charges" -msgstr "Partial Charge" +msgstr "Partial Charges" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) -#, fuzzy -#| msgid "Charge:" msgid "Charge Model:" -msgstr "Charge:" +msgstr "Charge Model:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" -msgstr "" +msgstr "Distance Tolerance:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" -msgstr "" +msgstr "Minimum Distance:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" -msgstr "" +msgstr "Volume Rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" -msgstr "" +msgstr "Cube" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" -msgstr "" +msgstr "Enable volume rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" -msgstr "" +msgstr "Enable surface rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" -msgstr "" +msgstr "Isovalue" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Opacity" -msgstr "" +msgstr "Opacity" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" -msgstr "" +msgstr "Coordinate Editor" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" -msgstr "" +msgstr "Preset:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" -msgstr "" +msgstr "Distance Unit:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" -msgstr "" +msgstr "Ångstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) @@ -5517,21 +5255,41 @@ msgid "" "optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" +"

Specification of format. Each character indicates a " +"value to write per atom:

# - " +"Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " +"carbon)
N - Element name (e.g. " +"\"Carbon\")
S - Element symbol (" +"e.g. \"C\" for carbon)
L - Atom " +"label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen)
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate (" +"crystals only)
b - 'b' lattice " +"coordinate (crystals only)
c - " +"'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful for optimization " +"flags
1 - A literal 1 (\"1\"), " +"useful for optimization flags

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help..." -msgstr "" +msgstr "Help..." #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" -msgstr "" +msgstr "Paste" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" -msgstr "" +msgstr "Revert" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) @@ -5541,7 +5299,7 @@ msgstr "Apply" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" -msgstr "" +msgstr "CP2K Input" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) @@ -5562,14 +5320,14 @@ msgstr "Defaults" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation..." -msgstr "" +msgstr "Submit Calculation..." #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File..." -msgstr "" +msgstr "Save File..." #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) @@ -5594,7 +5352,7 @@ msgstr "Title:" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" -msgstr "" +msgstr "Filename Base:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) @@ -5603,7 +5361,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" -msgstr "" +msgstr "job" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) @@ -5620,97 +5378,97 @@ msgstr "Method:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" -msgstr "" +msgstr "Basis set:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" -msgstr "" +msgstr "Functional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" -msgstr "" +msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" -msgstr "" +msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" -msgstr "" +msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" -msgstr "" +msgstr "Poisson EWALD type" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" -msgstr "" +msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" -msgstr "" +msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" -msgstr "" +msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" -msgstr "" +msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" -msgstr "" +msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" -msgstr "" +msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" -msgstr "" +msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" -msgstr "" +msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" -msgstr "" +msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" -msgstr "" +msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" -msgstr "" +msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" -msgstr "" +msgstr "File extension for Open Babel conversion (default - Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" -msgstr "" +msgstr "Supercell Parameters" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) @@ -5735,7 +5493,7 @@ msgstr "C repeat:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" -msgstr "" +msgstr "Unit Cell Editor" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) @@ -5789,19 +5547,19 @@ msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" -msgstr "" +msgstr "Cell Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" -msgstr "" +msgstr "Fractional Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" -msgstr "" +msgstr "&Transform Atoms" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) @@ -5811,7 +5569,7 @@ msgstr "&Apply" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" -msgstr "" +msgstr "&Revert" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) @@ -5826,17 +5584,17 @@ msgstr "Scale Unit Cell Volume" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" -msgstr "" +msgstr "New &Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" -msgstr "" +msgstr "&Scaling Factor:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" -msgstr "" +msgstr "Current Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) @@ -5860,26 +5618,26 @@ msgstr "Bond Order:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" -msgstr "" +msgstr "Geometry Optimization Parameters" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" -msgstr "" +msgstr "Convergence Criteria" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" -msgstr "" +msgstr "Energy convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" -msgstr "" +msgstr "Step limit:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) @@ -5888,7 +5646,7 @@ msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" -msgstr "" +msgstr " units" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) @@ -5897,7 +5655,7 @@ msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" -msgstr "" +msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) @@ -5911,28 +5669,28 @@ msgstr " steps" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" -msgstr "" +msgstr "Gradient convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" -msgstr "" +msgstr "Optimization Method" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" -msgstr "" +msgstr "Force field:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" -msgstr "" +msgstr "Autodetect" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) @@ -5962,12 +5720,12 @@ msgstr "Charge:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" -msgstr "" +msgstr "Import From PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" -msgstr "" +msgstr "Search" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) @@ -5977,42 +5735,42 @@ msgstr "name" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" -msgstr "" +msgstr "tag" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" -msgstr "" +msgstr "synonym" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" -msgstr "" +msgstr "formula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" -msgstr "" +msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " -msgstr "" +msgstr "Search By: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" -msgstr "" +msgstr "Formula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" -msgstr "" +msgstr "Download" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" -msgstr "" +msgstr "Name:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) @@ -6046,8 +5804,6 @@ msgstr "Adenine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) -#, fuzzy -#| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" @@ -6059,8 +5815,6 @@ msgstr "Cytosine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) -#, fuzzy -#| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" @@ -6072,16 +5826,12 @@ msgstr "Guanine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) -#, fuzzy -#| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) -#, fuzzy -#| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" @@ -6117,8 +5867,6 @@ msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) -#, fuzzy -#| msgid "Other" msgid "Other" msgstr "Other" @@ -6134,16 +5882,12 @@ msgstr "Strands:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) -#, fuzzy -#| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Single" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) -#, fuzzy -#| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Double" @@ -6157,10 +5901,8 @@ msgstr "Insert" #. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -#, fuzzy -#| msgid "Insert Fragment" msgid "Insert Fragment…" -msgstr "Insert Fragment" +msgstr "Insert Fragment…" #. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) @@ -6175,14 +5917,14 @@ msgstr "Type a name or part of a name to show only matching files." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" -msgstr "" +msgstr "LAMMPS Input" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" -msgstr "" +msgstr "Input file comments" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) @@ -6225,7 +5967,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" -msgstr "" +msgstr "Units" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) @@ -6550,10 +6292,8 @@ msgstr "Change X boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) -#, fuzzy -#| msgid "Select bondary Styles in X, Y and Z directions." msgid "Select boundary Styles in X, Y and Z directions." -msgstr "Select bondary Styles in X, Y and Z directions." +msgstr "Select boundary Styles in X, Y and Z directions." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) @@ -6662,7 +6402,7 @@ msgstr "Control the thermodynamic output during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" -msgstr "" +msgstr "Output" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) @@ -6706,12 +6446,12 @@ msgstr "Use Form" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate..." -msgstr "" +msgstr "Generate..." #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" -msgstr "" +msgstr "Descriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) @@ -6774,12 +6514,12 @@ msgstr "TODO" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" -msgstr "" +msgstr "Optimization algorithm:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" -msgstr "" +msgstr "Line search technique:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) @@ -6789,37 +6529,37 @@ msgstr "Steepest Descent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" -msgstr "" +msgstr "Conjugate Gradient" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" -msgstr "" +msgstr "Simple" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" -msgstr "" +msgstr "Newton's Method" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" -msgstr "" +msgstr "Limit Non-Bonded Interactions" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" -msgstr "" +msgstr "Van der Waals cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" -msgstr "" +msgstr "Pair update frequency:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" -msgstr "" +msgstr "electrostatic cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) @@ -6831,103 +6571,102 @@ msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" -msgstr "" +msgstr "\"Energy\" convergence:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" -msgstr "" +msgstr "OpenMM Script Builder" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" -msgstr "" +msgstr "Job script:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" -msgstr "" +msgstr "script" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" -msgstr "" +msgstr "Input Coords:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" -msgstr "" +msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" -msgstr "" +msgstr "Input Topology:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) -#, fuzzy msgid "Forcefield:" msgstr "Force Field:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" -msgstr "" +msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" -msgstr "" +msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" -msgstr "" +msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" -msgstr "" +msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" -msgstr "" +msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" -msgstr "" +msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" -msgstr "" +msgstr "Water Model:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" -msgstr "" +msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" -msgstr "" +msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" -msgstr "" +msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" -msgstr "" +msgstr "Implicit Solvent (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" -msgstr "" +msgstr "Platform:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) @@ -6937,110 +6676,107 @@ msgstr "Reference" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" -msgstr "" +msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" -msgstr "" +msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" -msgstr "" +msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" -msgstr "" +msgstr "Precision:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) -#, fuzzy msgid "single" -msgstr "Single" +msgstr "single" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" -msgstr "" +msgstr "mixed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) -#, fuzzy msgid "double" -msgstr "Double" +msgstr "double" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" -msgstr "" +msgstr "Device Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" -msgstr "" +msgstr "OpenCL Platform Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" -msgstr "" +msgstr "Nonbonded method:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" -msgstr "" +msgstr "NoCutoff" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" -msgstr "" +msgstr "CutoffNonPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" -msgstr "" +msgstr "CutoffPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" -msgstr "" +msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" -msgstr "" +msgstr "Ewald Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) -#, fuzzy msgid "Constraints:" -msgstr "Constraints" +msgstr "Constraints:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" -msgstr "" +msgstr "HBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" -msgstr "" +msgstr "AllBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" -msgstr "" +msgstr "HAngles" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" -msgstr "" +msgstr "Constraint Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" -msgstr "" +msgstr "Rigid water?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) @@ -7049,27 +6785,27 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" -msgstr "" +msgstr "False" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" -msgstr "" +msgstr "Nonbonded cutoff:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" -msgstr "" +msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" -msgstr "" +msgstr "Random initial velocity:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" -msgstr "" +msgstr "Generation Temp.:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) @@ -7081,37 +6817,37 @@ msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" -msgstr "" +msgstr "Integrator:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" -msgstr "" +msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" -msgstr "" +msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" -msgstr "" +msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" -msgstr "" +msgstr "VariableLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" -msgstr "" +msgstr "VariableVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" -msgstr "" +msgstr "Timestep:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) @@ -7121,17 +6857,17 @@ msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" -msgstr "" +msgstr "Error tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" -msgstr "" +msgstr "Collision rate:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" -msgstr "" +msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) @@ -7141,107 +6877,107 @@ msgstr "Temperature:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" -msgstr "" +msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" -msgstr "" +msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" -msgstr "" +msgstr "Pressure:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" -msgstr "" +msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" -msgstr "" +msgstr "Barostat Interval" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" -msgstr "" +msgstr "Reporters:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" -msgstr "" +msgstr "StateData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" -msgstr "" +msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" -msgstr "" +msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" -msgstr "" +msgstr "Report Interval:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" -msgstr "" +msgstr "Equilibration Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" -msgstr "" +msgstr "Production Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" -msgstr "" +msgstr "Minimize?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" -msgstr "" +msgstr "Max. Minimize Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" -msgstr "" +msgstr "StateData options:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" -msgstr "" +msgstr "Step Index" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" -msgstr "" +msgstr "Time" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" -msgstr "" +msgstr "Speed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" -msgstr "" +msgstr "Progress" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" -msgstr "" +msgstr "Potential Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" -msgstr "" +msgstr "Kinetic Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) @@ -7251,32 +6987,32 @@ msgstr "Total Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" -msgstr "" +msgstr "Volume" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) msgid "Density" -msgstr "" +msgstr "Density" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" -msgstr "" +msgstr "PDF Plot Options" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" -msgstr "" +msgstr "Maximum Radius:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" -msgstr "" +msgstr "Step (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" -msgstr "" +msgstr "Theoretical XRD Pattern Options" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) @@ -7284,6 +7020,8 @@ msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" +"

The broadening of the peak at the base (in " +"degrees).

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) @@ -7291,6 +7029,8 @@ msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" +"

The max 2theta value in degrees.

Default: 162." +"00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) @@ -7298,22 +7038,23 @@ msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" +"

The broadening of the peaks at the base in " +"degrees.

Default: 0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" -msgstr "" +msgstr "Number of points:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" -msgstr "" +msgstr "Peak width:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) -#, fuzzy msgid "Wavelength:" -msgstr "Wavelength (nm)" +msgstr "Wavelength:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) @@ -7321,6 +7062,8 @@ msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" +"

The wavelength of the x-ray in Ångstroms. " +"

Default: 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) @@ -7328,21 +7071,23 @@ msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" +"

The number of 2theta points to generate.

Default:" +" 1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" -msgstr "" +msgstr "Max 2*theta:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) msgid "Download Plugins..." -msgstr "" +msgstr "Download Plugins..." #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" -msgstr "" +msgstr "Download Selected" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) @@ -7367,12 +7112,12 @@ msgstr "Constant Size" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" -msgstr "" +msgstr "Apply Colour" #. i18n: file: qtplugins/spectra/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" -msgstr "" +msgstr "Vibrational Modes" #. i18n: file: qtplugins/spectra/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) @@ -7381,13 +7126,11 @@ msgstr "Amplitude:" #. i18n: file: qtplugins/spectra/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) -#, fuzzy msgid "Start Animation" msgstr "Start &Animation" #. i18n: file: qtplugins/spectra/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) -#, fuzzy msgid "Stop Animation" msgstr "Stop &Animation" @@ -7399,29 +7142,25 @@ msgstr "Create Surfaces" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" -msgstr "" +msgstr "Surface:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" -msgstr "" +msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" -msgstr "" +msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) -#, fuzzy msgid "Color by:" -msgstr "Colour By:" +msgstr "Colour by:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#, fuzzy -#| msgctxt "Electrostatic potential surface type" -#| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Electrostatic Potential" @@ -7433,7 +7172,7 @@ msgstr "Resolution:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" -msgstr "" +msgstr "Very Low" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) @@ -7461,23 +7200,18 @@ msgstr "Very High" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) -#, fuzzy msgid "Isosurface Value:" msgstr "&Isosurface Value:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) -#, fuzzy -#| msgid " K" msgid " " -msgstr " K" +msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) -#, fuzzy -#| msgid "Nothing" msgid "Smoothing:" -msgstr "Nothing" +msgstr "Smoothing:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) @@ -7486,10 +7220,8 @@ msgstr "Light" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#, fuzzy -#| msgid "Strontium" msgid "Strong" -msgstr "Strontium" +msgstr "Strong" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) @@ -7499,12 +7231,12 @@ msgstr "Calculate" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." -msgstr "" +msgstr "Record Movie..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" -msgstr "" +msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) @@ -7514,32 +7246,32 @@ msgstr "Molecule" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" -msgstr "" +msgstr "Symmetrically equivalent atoms:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" -msgstr "" +msgstr "Lock Symmetry" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" -msgstr "" +msgstr "Operations" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" -msgstr "" +msgstr "Symmetry elements:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" -msgstr "" +msgstr "Subgroups" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" -msgstr "" +msgstr "Subgroups:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) @@ -7564,7 +7296,7 @@ msgstr "Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" -msgstr "" +msgstr "Very Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) @@ -7574,196 +7306,179 @@ msgstr "Detect Symmetry" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" -msgstr "" +msgstr "Centres" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) -#, fuzzy msgid "Formal Charge:" -msgstr "Formal charge" +msgstr "Formal Charge:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" -msgstr "" +msgstr "0" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" -msgstr "" +msgstr "+1" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" -msgstr "" +msgstr "+2" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" -msgstr "" +msgstr "+3" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" -msgstr "" +msgstr "+4" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" -msgstr "" +msgstr "+5" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" -msgstr "" +msgstr "+6" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" -msgstr "" +msgstr "+7" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) -#, fuzzy msgid "Coordination:" -msgstr "Cartesian coordinates editor" +msgstr "Coordination:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" -msgstr "" +msgstr "6: Octahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) -#, fuzzy -#| msgid "Linear" msgid "1: Linear" -msgstr "Linear" +msgstr "1: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) -#, fuzzy -#| msgid "Linear" msgid "2: Linear" -msgstr "Linear" +msgstr "2: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" -msgstr "" +msgstr "3: Trigonal Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" -msgstr "" +msgstr "4: Tetrahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" -msgstr "" +msgstr "4: Square Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" -msgstr "" +msgstr "5: Trigonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" -msgstr "" +msgstr "5: Square Pyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" -msgstr "" +msgstr "6: Trigonal Prism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" -msgstr "" +msgstr "7: Pentagonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" -msgstr "" +msgstr "8: Square Antiprism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" -msgstr "" +msgstr "Ligands" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) -#, fuzzy -#| msgid "Type" msgid "Type:" -msgstr "Type" +msgstr "Type:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" -msgstr "" +msgstr "Monodentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" -msgstr "" +msgstr "Bidentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) -#, fuzzy -#| msgid "Transition State" msgid "Tridentate" -msgstr "Transition State" +msgstr "Tridentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) -#, fuzzy -#| msgid "Transition State" msgid "Tetradentate" -msgstr "Transition State" +msgstr "Tetradentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) -#, fuzzy -#| msgid "Transition State" msgid "Hexadentate" -msgstr "Transition State" +msgstr "Hexadentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" -msgstr "" +msgstr "Haptic" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) -#, fuzzy -#| msgid "DFT Functional" msgid "Functional Groups" -msgstr "DFT Functional" +msgstr "Functional Groups" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:366 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) -#, fuzzy msgid "From Clipboard" -msgstr "I&mport Crystal from Clipboard..." +msgstr "From Clipboard" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:389 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" -msgstr "" +msgstr "Ligand:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" -msgstr "" +msgstr "Yaehmop Band" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " -msgstr "" +msgstr "Min y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) @@ -7771,9 +7486,8 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) -#, fuzzy msgid " eV" -msgstr "eV" +msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) @@ -7787,11 +7501,19 @@ msgid "" "level is set in the spinbox on the right.

Default: off

" msgstr "" +"

The Fermi level should be known before checking this " +"box. You can discover the Fermi level by performing a density-of-states " +"calculation and displaying the data (it will be at the top of the data). In " +"addition, if a density-of-states calculation is performed, the Fermi level " +"here will automatically be set to what was detected during the density-of-" +"states calculation.

If this box is checked, be sure the correct Fermi " +"level is set in the spinbox on the right.

Default: " +"off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" -msgstr "" +msgstr "Plot Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) @@ -7800,31 +7522,34 @@ msgid "" "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" +"

Adjust the energies so that the zero is the Fermi? " +"Only available if we are plotting the Fermi level.


Default:" +" off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" -msgstr "" +msgstr "Zero Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" -msgstr "" +msgstr "# of k-points connecting special k-points:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" -msgstr "" +msgstr "Special k-points" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " -msgstr "" +msgstr "Max y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" -msgstr "" +msgstr "

The Fermi Level

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) @@ -7841,21 +7566,20 @@ msgid "" "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

" msgstr "" +"

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " +"<x> <y> <z> where x, y, and z are fractional reciprocal " +"space coordinates. Lines will be drawn connecting these k-points on the " +"graph in the order you put them in. Please note that the orientation of your " +"cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " +"special k points will be automatically filled up with the primitive cell " +"high symmetry points for that space group. There are a few space groups will " +"different high symmetry points depending on the lattice (such as if a > b " +"or a < b) - that is taken into account automatically.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) -#, fuzzy -#| msgid "" -#| "\n" -#| "\n" -#| "

" msgid "" "\n" @@ -7870,14 +7594,14 @@ msgid "" msgstr "" "\n" -"\n" -"

" +"\n" +"

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) @@ -7886,6 +7610,9 @@ msgid "" "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" +"

Enter the number of k-points that will be connecting " +"the special k-points. More of these k-points will smooth out the graph, but " +"the calculation may take longer.

Default: 40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) @@ -7893,11 +7620,13 @@ msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" +"

Limit the y-range in the plot?

Default: " +"off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" -msgstr "" +msgstr "Limit y-range?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) @@ -7911,18 +7640,22 @@ msgid "" "p>

If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" +"

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " +"vector of the crystal.


If this is set to 2, the material " +"will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " +"C vectors of the crystal.


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) -#, fuzzy -#| msgid "Number of Bonds:" msgid "Number of Dimensions:" -msgstr "Number of Bonds:" +msgstr "Number of Dimensions:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" -msgstr "" +msgstr "Display Yaehmop Input?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" From fabc9ca2701d699120239dd6abcfee35fa448886 Mon Sep 17 00:00:00 2001 From: Temuri Doghonadze Date: Thu, 9 Nov 2023 05:52:06 +0000 Subject: [PATCH 135/186] Translated using Weblate (Georgian) Currently translated at 53.2% (784 of 1473 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ka/ --- i18n/ka.po | 75 +++++++++++++++--------------------------------------- 1 file changed, 21 insertions(+), 54 deletions(-) diff --git a/i18n/ka.po b/i18n/ka.po index 915564916f..ecd156f6bd 100644 --- a/i18n/ka.po +++ b/i18n/ka.po @@ -8,7 +8,7 @@ msgstr "" "Project-Id-Version: Avogadro 1.95.1\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2023-09-17 17:54+0000\n" +"PO-Revision-Date: 2023-11-10 06:36+0000\n" "Last-Translator: Temuri Doghonadze \n" "Language-Team: Georgian \n" @@ -17,7 +17,7 @@ msgstr "" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" -"X-Generator: Weblate 5.0.2\n" +"X-Generator: Weblate 5.2-dev\n" #: molequeue/batchjob.cpp:70 #, qt-format @@ -1239,11 +1239,9 @@ msgid "" msgstr "" #: qtgui/pythonscript.cpp:145 -#, fuzzy, qt-format -#| msgctxt "arg is an executable file." -#| msgid "Starting %1…" +#, qt-format msgid "Warning '%1'" -msgstr "%1-ის გაშვება…" +msgstr "ფრთხილად '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." @@ -1443,10 +1441,9 @@ msgid "Modify Molecule" msgstr "" #: qtgui/scriptloader.cpp:41 -#, fuzzy, qt-format -#| msgid "Command scripts" +#, qt-format msgid "Cannot load script %1" -msgstr "ბრძანების სკრიპტები" +msgstr "ვერ ჩავტვირთე სკრიპტი %1" #: qtgui/scriptloader.cpp:68 #, qt-format @@ -1512,10 +1509,8 @@ msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:30 -#, fuzzy -#| msgid "Selection tool" msgid "Align tool" -msgstr "მონიშვნის ხელსაწყო" +msgstr "გასწორების ხელსაწყო" #: qtplugins/aligntool/aligntool.h:33 msgid "Align molecules to a Cartesian axis" @@ -1950,10 +1945,8 @@ msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:77 -#, fuzzy -#| msgid "Perceive Bond Orders" msgid "Perceive bond orders." -msgstr "ბმის მიმდევრობის აღქმა" +msgstr "ბმის მიმდევრობის აღქმა." #: qtplugins/bonding/bonding.h:32 msgid "Bonding" @@ -2188,10 +2181,8 @@ msgid "Element symbol." msgstr "ელემენტის სიმბოლო." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:397 -#, fuzzy -#| msgid "Invalid atomic number." msgid "Invalid atom label." -msgstr "არასწორი ატომური ნომერი." +msgstr "არასწორი ატომის ჭდე." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:415 msgid "Invalid atomic index." @@ -2775,34 +2766,24 @@ msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:75 -#, fuzzy -#| msgid "Optimize Geometry" msgid "Optimize" -msgstr "გეომეტრიის ოპტიმიზაცია" +msgstr "ოპტიმიზაცია" #: qtplugins/forcefield/forcefield.cpp:91 -#, fuzzy -#| msgid "Configure Job" msgid "Configure…" -msgstr "დავალების მორგება" +msgstr "მორგება…" #: qtplugins/forcefield/forcefield.cpp:103 -#, fuzzy -#| msgid "Bond Selected Atoms" msgid "Freeze Selected Atoms" -msgstr "მონიშნული ატომების მიბმა" +msgstr "მონიშნული ატომების გაყინვა" #: qtplugins/forcefield/forcefield.cpp:110 -#, fuzzy -#| msgid "Bond Selected Atoms" msgid "Unfreeze Selected Atoms" -msgstr "მონიშნული ატომების მიბმა" +msgstr "მონიშნული ატომების გადნობა" #: qtplugins/forcefield/forcefield.cpp:126 -#, fuzzy -#| msgid "Calculate" msgid "&Calculate" -msgstr "გამოთვლა" +msgstr "&გამოთვლა" #: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 @@ -2823,10 +2804,8 @@ msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.h:46 -#, fuzzy -#| msgid "Geometry Optimization" msgid "Forcefield optimization" -msgstr "გეომეტრიის ოპტიმიზაცია" +msgstr "ძალის ველის ოპტიმიზაცია" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" @@ -4505,10 +4484,8 @@ msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:172 -#, fuzzy -#| msgid "Density" msgid "Spin Density" -msgstr "სიმკვრივე" +msgstr "სპინის სიმკვრივე" #: qtplugins/surfaces/surfacedialog.cpp:184 #, qt-format @@ -4551,16 +4528,12 @@ msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:117 qtplugins/surfaces/surfaces.cpp:118 -#, fuzzy -#| msgid "Calculating molecular orbital %L1" msgid "Render a molecular orbital." -msgstr "მოლეკულური ორბიტალის %L1 გამოთვლა" +msgstr "მოლეკულური ორბიტალის რენდერი." #: qtplugins/surfaces/surfaces.cpp:120 -#, fuzzy -#| msgid "Calculating electron density" msgid "Render the electron density." -msgstr "ელექტრონების სიმკვრივის გამოთვლა" +msgstr "ელექტრონების სიმკვრივის რენდერი." #: qtplugins/surfaces/surfaces.cpp:121 msgid "Render the spin density." @@ -4575,10 +4548,8 @@ msgid "Calculating electron density" msgstr "ელექტრონების სიმკვრივის გამოთვლა" #: qtplugins/surfaces/surfaces.cpp:580 -#, fuzzy -#| msgid "Calculating electron density" msgid "Calculating spin density" -msgstr "ელექტრონების სიმკვრივის გამოთვლა" +msgstr "სპინის სიმკვრივის გამოთვლა" #: qtplugins/surfaces/surfaces.cpp:589 #, qt-format @@ -5469,10 +5440,8 @@ msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) -#, fuzzy -#| msgid "Energy and Forces" msgid "Energy convergence:" -msgstr "ენერგია და ძალები" +msgstr "ენერგიის კონვერგენცია:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) @@ -7024,10 +6993,8 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) -#, fuzzy -#| msgid ", " msgid " " -msgstr ", " +msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) From 838c3a9380bab186066f72c533243c864f209405 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 13 Nov 2023 14:03:24 -0500 Subject: [PATCH 136/186] Fix everything Signed-off-by: Geoff Hutchison --- avogadro/io/cjsonformat.cpp | 16 ++++++++++++---- avogadro/io/cmsgpackformat.cpp | 1 - 2 files changed, 12 insertions(+), 5 deletions(-) diff --git a/avogadro/io/cjsonformat.cpp b/avogadro/io/cjsonformat.cpp index 21d817a768..a312e175b3 100644 --- a/avogadro/io/cjsonformat.cpp +++ b/avogadro/io/cjsonformat.cpp @@ -87,7 +87,12 @@ bool CjsonFormat::read(std::istream& file, Molecule& molecule) bool CjsonFormat::deserialize(std::istream& file, Molecule& molecule, bool isJson) { - json jsonRoot = json::parse(file, nullptr, false); + json jsonRoot; + if (isJson) + jsonRoot = json::parse(file, nullptr, false); + else // msgpack + jsonRoot = json::from_msgpack(file); + if (jsonRoot.is_discarded()) { appendError("Error reading CJSON file."); return false; @@ -1025,7 +1030,8 @@ bool CjsonFormat::serialize(std::ostream& file, const Molecule& molecule, bool i modes.push_back(static_cast(i) + 1); freqs.push_back(molecule.vibrationFrequencies()[i]); inten.push_back(molecule.vibrationIRIntensities()[i]); - raman.push_back(molecule.vibrationRamanIntensities()[i]); + if (molecule.vibrationRamanIntensities().size() > i) + raman.push_back(molecule.vibrationRamanIntensities()[i]); Core::Array atomDisplacements = molecule.vibrationLx(i); json eigenVector; for (auto pos : atomDisplacements) { @@ -1038,7 +1044,8 @@ bool CjsonFormat::serialize(std::ostream& file, const Molecule& molecule, bool i root["vibrations"]["modes"] = modes; root["vibrations"]["frequencies"] = freqs; root["vibrations"]["intensities"] = inten; - root["vibrations"]["ramanIntensities"] = raman; + if (molecule.vibrationRamanIntensities().size() > 0) + root["vibrations"]["ramanIntensities"] = raman; root["vibrations"]["eigenVectors"] = eigenVectors; } @@ -1071,8 +1078,9 @@ bool CjsonFormat::serialize(std::ostream& file, const Molecule& molecule, bool i if (isJson) file << std::setw(2) << root; - else // write msgpack + else { // write msgpack json::to_msgpack(root, file); + } return true; } diff --git a/avogadro/io/cmsgpackformat.cpp b/avogadro/io/cmsgpackformat.cpp index 5474832794..28f45aa5df 100644 --- a/avogadro/io/cmsgpackformat.cpp +++ b/avogadro/io/cmsgpackformat.cpp @@ -39,7 +39,6 @@ vector CMsgPackFormat::mimeTypes() const bool CMsgPackFormat::write(std::ostream& out, const Core::Molecule& molecule) { - std::cerr << "CMsgPackFormat::write" << std::endl; return CjsonFormat::serialize(out, molecule, false); } From bbd5162ca66891a7d5a9719771ae2538f677293d Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 13 Nov 2023 14:14:55 -0500 Subject: [PATCH 137/186] Fix formatting Signed-off-by: Geoff Hutchison --- avogadro/io/cjsonformat.cpp | 8 +++++--- avogadro/io/cjsonformat.h | 4 ++-- avogadro/io/cmsgpackformat.cpp | 18 +++++++++--------- avogadro/io/cmsgpackformat.h | 9 +++++---- 4 files changed, 21 insertions(+), 18 deletions(-) diff --git a/avogadro/io/cjsonformat.cpp b/avogadro/io/cjsonformat.cpp index a312e175b3..aa73d5e6cb 100644 --- a/avogadro/io/cjsonformat.cpp +++ b/avogadro/io/cjsonformat.cpp @@ -85,14 +85,15 @@ bool CjsonFormat::read(std::istream& file, Molecule& molecule) return deserialize(file, molecule, true); } -bool CjsonFormat::deserialize(std::istream& file, Molecule& molecule, bool isJson) +bool CjsonFormat::deserialize(std::istream& file, Molecule& molecule, + bool isJson) { json jsonRoot; if (isJson) jsonRoot = json::parse(file, nullptr, false); else // msgpack jsonRoot = json::from_msgpack(file); - + if (jsonRoot.is_discarded()) { appendError("Error reading CJSON file."); return false; @@ -648,7 +649,8 @@ bool CjsonFormat::write(std::ostream& file, const Molecule& molecule) return serialize(file, molecule, true); } -bool CjsonFormat::serialize(std::ostream& file, const Molecule& molecule, bool isJson) +bool CjsonFormat::serialize(std::ostream& file, const Molecule& molecule, + bool isJson) { json opts; if (!options().empty()) diff --git a/avogadro/io/cjsonformat.h b/avogadro/io/cjsonformat.h index e7e62a6528..092f0c23ca 100644 --- a/avogadro/io/cjsonformat.h +++ b/avogadro/io/cjsonformat.h @@ -55,7 +55,7 @@ class AVOGADROIO_EXPORT CjsonFormat : public FileFormat bool serialize(std::ostream& out, const Core::Molecule& molecule, bool json); }; -} // end Io namespace -} // end Avogadro namespace +} // namespace Io +} // namespace Avogadro #endif // AVOGADRO_IO_CJSONFORMAT_H diff --git a/avogadro/io/cmsgpackformat.cpp b/avogadro/io/cmsgpackformat.cpp index 28f45aa5df..2cf641fa14 100644 --- a/avogadro/io/cmsgpackformat.cpp +++ b/avogadro/io/cmsgpackformat.cpp @@ -11,7 +11,7 @@ using namespace std; namespace Avogadro::Io { -CMsgPackFormat::CMsgPackFormat(): CjsonFormat() +CMsgPackFormat::CMsgPackFormat() : CjsonFormat() { m_json = false; } @@ -32,14 +32,14 @@ vector CMsgPackFormat::mimeTypes() const return mime; } - bool CMsgPackFormat::read(std::istream& in, Core::Molecule& molecule) - { - return CjsonFormat::deserialize(in, molecule, false); - } +bool CMsgPackFormat::read(std::istream& in, Core::Molecule& molecule) +{ + return CjsonFormat::deserialize(in, molecule, false); +} - bool CMsgPackFormat::write(std::ostream& out, const Core::Molecule& molecule) - { - return CjsonFormat::serialize(out, molecule, false); - } +bool CMsgPackFormat::write(std::ostream& out, const Core::Molecule& molecule) +{ + return CjsonFormat::serialize(out, molecule, false); +} } // namespace Avogadro::Io diff --git a/avogadro/io/cmsgpackformat.h b/avogadro/io/cmsgpackformat.h index 8a8afca6fd..7147e82543 100644 --- a/avogadro/io/cmsgpackformat.h +++ b/avogadro/io/cmsgpackformat.h @@ -6,8 +6,8 @@ #ifndef AVOGADRO_IO_CMSGPACKFORMAT_H #define AVOGADRO_IO_CMSGPACKFORMAT_H -#include "fileformat.h" #include "cjsonformat.h" +#include "fileformat.h" namespace Avogadro { namespace Core { @@ -36,7 +36,8 @@ class AVOGADROIO_EXPORT CMsgPackFormat : public CjsonFormat std::string name() const override { return "Chemical MessagePack"; } std::string description() const override { - return "CMsgPack format is a lightweight intermediate format used to exchange " + return "CMsgPack format is a lightweight intermediate format used to " + "exchange " "information between Avogadro and other data parsing applications"; } @@ -55,7 +56,7 @@ class AVOGADROIO_EXPORT CMsgPackFormat : public CjsonFormat bool m_json = false; }; -} // end Io namespace -} // end Avogadro namespace +} // namespace Io +} // namespace Avogadro #endif // AVOGADRO_IO_CMSGPACKFORMAT_H From 606254ff03b475b57d901f48c1c6bd793572c85f Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 13 Nov 2023 14:16:37 -0500 Subject: [PATCH 138/186] Fix formatting Signed-off-by: Geoff Hutchison --- avogadro/io/fileformatmanager.cpp | 23 +++++++++++------------ 1 file changed, 11 insertions(+), 12 deletions(-) diff --git a/avogadro/io/fileformatmanager.cpp b/avogadro/io/fileformatmanager.cpp index 999a9c2c68..ec19127dca 100644 --- a/avogadro/io/fileformatmanager.cpp +++ b/avogadro/io/fileformatmanager.cpp @@ -135,7 +135,7 @@ bool FileFormatManager::addFormat(FileFormat* format) appendError("Format " + format->identifier() + " already loaded."); return false; } - for (auto & m_format : m_formats) { + for (auto& m_format : m_formats) { if (m_format == format) { appendError("The format object was already loaded."); return false; @@ -147,11 +147,11 @@ bool FileFormatManager::addFormat(FileFormat* format) m_formats.push_back(format); m_identifiers[format->identifier()].push_back(index); std::vector mimes = format->mimeTypes(); - for (auto & mime : mimes) { + for (auto& mime : mimes) { m_mimeTypes[mime].push_back(index); } std::vector extensions = format->fileExtensions(); - for (auto & extension : extensions) { + for (auto& extension : extensions) { m_fileExtensions[extension].push_back(index); } @@ -161,7 +161,7 @@ bool FileFormatManager::addFormat(FileFormat* format) namespace { // Lookup each key from "keys" in "map", and remove "val" from the Map's // data value (which is a vector of ValueType) -template +template void removeFromMap(Map& map, const VectorOfKeys& keys, const ValueType& val) { for (auto key = keys.begin(), keyEnd = keys.end(); key != keyEnd; ++key) { @@ -172,13 +172,12 @@ void removeFromMap(Map& map, const VectorOfKeys& keys, const ValueType& val) if (vec.size() <= 1) { map.erase(*key); } else { - auto newEnd = - std::remove(vec.begin(), vec.end(), val); + auto newEnd = std::remove(vec.begin(), vec.end(), val); vec.resize(newEnd - vec.begin()); } } } -} +} // namespace bool FileFormatManager::removeFormat(const std::string& identifier) { @@ -305,7 +304,7 @@ FileFormatManager::FileFormatManager() FileFormatManager::~FileFormatManager() { // Delete the file formats that were loaded. - for (auto & m_format : m_formats) { + for (auto& m_format : m_formats) { delete m_format; } m_formats.clear(); @@ -316,9 +315,9 @@ std::vector FileFormatManager::filteredKeysFromFormatMap( const FileFormatManager::FormatIdMap& fmap) const { std::vector result; - for (const auto & it : fmap) { - for (auto formatIt = it.second.begin(); - formatIt != it.second.end(); ++formatIt) { + for (const auto& it : fmap) { + for (auto formatIt = it.second.begin(); formatIt != it.second.end(); + ++formatIt) { if (filter == FileFormat::None || (m_formats[*formatIt]->supportedOperations() & filter) == filter) { result.push_back(it.first); @@ -385,4 +384,4 @@ void FileFormatManager::appendError(const std::string& errorMessage) m_error += errorMessage + "\n"; } -} // end Avogadro namespace +} // namespace Avogadro::Io From 8b9aef5fdfb118d26c7f737b84d4275ffd424cd2 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 13 Nov 2023 14:22:16 -0500 Subject: [PATCH 139/186] Fix formatting Signed-off-by: Geoff Hutchison --- avogadro/io/pdbformat.cpp | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/avogadro/io/pdbformat.cpp b/avogadro/io/pdbformat.cpp index 6f31201592..190ac45a11 100644 --- a/avogadro/io/pdbformat.cpp +++ b/avogadro/io/pdbformat.cpp @@ -14,8 +14,8 @@ #include #include -#include #include +#include #include using Avogadro::Core::Array; @@ -152,7 +152,7 @@ bool PdbFormat::read(std::istream& in, Core::Molecule& mol) atomicNum = Elements::atomicNumberFromSymbol(element); if (atomicNum == 255) appendError("Invalid element"); - } + } if (atomicNum == 255) { // non-standard or old-school PDB file - try to parse the atom name @@ -224,9 +224,9 @@ bool PdbFormat::read(std::istream& in, Core::Molecule& mol) else { int b = lexicalCast(buffer.substr(bCoords[i], 5), ok) - 1; if (!ok) { - appendError("Failed to parse bond connection b" + std::to_string(i) + - " " + buffer.substr(bCoords[i], 5)); - //return false; + appendError("Failed to parse bond connection b" + + std::to_string(i) + " " + buffer.substr(bCoords[i], 5)); + // return false; continue; // skip this invalid record } From af483902c25d07f4b07fca933b814a66f3a7e07b Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 13 Nov 2023 15:24:31 -0500 Subject: [PATCH 140/186] [no-ci] Update Australian and Canadian localization from GB version Signed-off-by: Geoff Hutchison --- i18n/en_AU.po | 4377 +++++++++++++++++++++++++++++++----------------- i18n/en_CA.po | 4393 +++++++++++++++++++++++++++++++------------------ 2 files changed, 5663 insertions(+), 3107 deletions(-) diff --git a/i18n/en_AU.po b/i18n/en_AU.po index 59b02d5d46..f0562530e8 100644 --- a/i18n/en_AU.po +++ b/i18n/en_AU.po @@ -1,34 +1,36 @@ -# English (Australia) translation for avogadro +# English (United Kingdom) translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 -# This file is distributed under the same license as the avogadro package. -# FIRST AUTHOR , 2010. +# This file is distributed under the same licence as the avogadro package. +# My Random Thoughts , 2021. # J. Lavoie , 2021. # ovari , 2022. +# Geoff Hutchison , 2023. +# matterhorn103 , 2023. msgid "" msgstr "" -"Project-Id-Version: avogadro\n" +"Project-Id-Version: _avogadro-en_GB\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2022-07-23 02:23+0000\n" -"Last-Translator: ovari \n" -"Language-Team: English (Australia) \n" -"Language: en_AU\n" +"PO-Revision-Date: 2023-11-08 19:34+0000\n" +"Last-Translator: matterhorn103 \n" +"Language-Team: English (United Kingdom) \n" +"Language: en_GB\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" -"X-Generator: Weblate 4.14-dev\n" +"X-Generator: Weblate 5.2-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:70 #, qt-format msgid "Batch Job #%L1 (%2)" -msgstr "" +msgstr "Batch Job #%L1 (%2)" #: molequeue/client/client.cpp:244 msgid "No message specified." -msgstr "" +msgstr "No message specified." #: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format @@ -37,32 +39,36 @@ msgid "" "Received:\n" "%1" msgstr "" +"script --print-options output must be an JSON object at top level. Received:" +"\n" +"%1" #: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 #: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." -msgstr "" +msgstr "Non-string warning returned." #: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 #: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." -msgstr "" +msgstr "'warnings' member is not an array." #: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." -msgstr "" +msgstr "Reference file '%1' does not exist." #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" -msgstr "" +msgstr "Error populating file %1: %2" #: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" +"File '%1' poorly formed. Missing string 'contents' or 'filePath' members." #: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format @@ -70,31 +76,33 @@ msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" +"Malformed file entry: filename/contents missing or not strings:\n" +"%1" #: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." -msgstr "" +msgstr "Malformed file entry at index %1: Not an object." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." -msgstr "" +msgstr "'files' member not an array." #: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." -msgstr "" +msgstr "'files' member missing." #: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." -msgstr "" +msgstr "'mainFile' member does not refer to an entry in 'files'." #: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." -msgstr "" +msgstr "'mainFile' member must be a string." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." -msgstr "" +msgstr "Response must be a JSON object at top-level." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format @@ -102,6 +110,8 @@ msgid "" "Script output:\n" "%1" msgstr "" +"Script output:\n" +"%1" #: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format @@ -111,18 +121,23 @@ msgid "" "\n" "%3" msgstr "" +"Parse error at offset %L1: '%2'\n" +"Raw JSON:\n" +"\n" +"%3" #: molequeue/inputgenerator.cpp:350 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" +"Error saving molecule representation to string: Unrecognized file format: %1" #: molequeue/inputgenerator.cpp:358 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" -msgstr "" +msgstr "Error saving molecule representation to string: %1" #: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format @@ -132,6 +147,10 @@ msgid "" "\n" "%3" msgstr "" +"Error generating cjson object: Parse error at offset %1: %2\n" +"Raw JSON:\n" +"\n" +"%3" #: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format @@ -139,15 +158,17 @@ msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" +"Error generator cjson object: Parsed JSON is not an object:\n" +"%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" -msgstr "" +msgstr "Input Generator (error)" #: molequeue/inputgeneratordialog.cpp:43 -#, fuzzy, qt-format +#, qt-format msgid "%1 Input Generator" -msgstr "Input Generator..." +msgstr "%1 Input Generator" #: molequeue/inputgeneratorwidget.cpp:114 msgid "Continue" @@ -193,28 +214,40 @@ msgid_plural "" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" +"The following file(s) have been modified:\n" +"\n" +"%1\n" +"\n" +"Would you like to overwrite your changes to reflect the new geometry or job " +"options?" msgstr[1] "" +"The following file(s) have been modified:\n" +"\n" +"%1\n" +"\n" +"Would you like to overwrite your changes to reflect the new geometry or job " +"options?" #: molequeue/inputgeneratorwidget.cpp:162 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" -msgstr "" +msgstr "Overwrite modified input files?" #: molequeue/inputgeneratorwidget.cpp:188 msgid "Problems occurred during input generation:" -msgstr "" +msgstr "Problems occurred during input generation:" #: molequeue/inputgeneratorwidget.cpp:277 msgid "No input files to save!" -msgstr "" +msgstr "No input files to save!" #: molequeue/inputgeneratorwidget.cpp:285 #: molequeue/inputgeneratorwidget.cpp:593 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:685 msgid "Cannot connect to MoleQueue" -msgstr "" +msgstr "Cannot connect to MoleQueue" #: molequeue/inputgeneratorwidget.cpp:286 #: molequeue/inputgeneratorwidget.cpp:594 molequeue/molequeuewidget.cpp:70 @@ -224,48 +257,50 @@ msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" +"Cannot connect to MoleQueue server. Please ensure that it is running and try " +"again." #: molequeue/inputgeneratorwidget.cpp:317 #, qt-format msgid "Submit %1 Calculation" -msgstr "" +msgstr "Submit %1 Calculation" #: molequeue/inputgeneratorwidget.cpp:333 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1013 #: qtplugins/gamessinput/gamessinputdialog.cpp:722 msgid "Job Failed" -msgstr "" +msgstr "Job Failed" #: molequeue/inputgeneratorwidget.cpp:334 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1014 #: qtplugins/gamessinput/gamessinputdialog.cpp:723 msgid "The job did not complete successfully." -msgstr "" +msgstr "The job did not complete successfully." #: molequeue/inputgeneratorwidget.cpp:351 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" -msgstr "" +msgstr "Script returns warnings:\n" #: molequeue/inputgeneratorwidget.cpp:368 msgid "Hide &Warnings" -msgstr "" +msgstr "Hide &Warnings" #: molequeue/inputgeneratorwidget.cpp:374 msgid "Show &Warnings" -msgstr "" +msgstr "Show &Warnings" #: molequeue/inputgeneratorwidget.cpp:391 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" -msgstr "" +msgstr "An error has occurred:" #: molequeue/inputgeneratorwidget.cpp:442 msgid "Select output filename" -msgstr "" +msgstr "Select output filename" #: molequeue/inputgeneratorwidget.cpp:454 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" -msgstr "" +msgstr "Internal error: could not find text widget for filename '%1'" #: molequeue/inputgeneratorwidget.cpp:470 #: molequeue/inputgeneratorwidget.cpp:581 @@ -278,7 +313,7 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" -msgstr "" +msgstr "Output Error" #: molequeue/inputgeneratorwidget.cpp:471 #: molequeue/inputgeneratorwidget.cpp:582 @@ -290,27 +325,27 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." -msgstr "" +msgstr "Failed to write to file %1." #: molequeue/inputgeneratorwidget.cpp:482 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" -msgstr "" +msgstr "Select output directory" #: molequeue/inputgeneratorwidget.cpp:499 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" -msgstr "" +msgstr "%1: Directory does not exist!" #: molequeue/inputgeneratorwidget.cpp:505 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" -msgstr "" +msgstr "%1: Directory cannot be read!" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 @@ -319,7 +354,7 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." -msgstr "" +msgstr "%1: File will be overwritten." #: molequeue/inputgeneratorwidget.cpp:520 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 @@ -328,13 +363,13 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." -msgstr "" +msgstr "%1: File is not writable." #: molequeue/inputgeneratorwidget.cpp:533 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." -msgstr "" +msgstr "The input files cannot be written due to an unknown error." #: molequeue/inputgeneratorwidget.cpp:537 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 @@ -345,6 +380,9 @@ msgid "" "\n" "%1" msgstr "" +"The input files cannot be written:\n" +"\n" +"%1" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 @@ -359,6 +397,13 @@ msgid "" "\n" "%2" msgstr "" +"The input files cannot be written:\n" +"\n" +"%1\n" +"\n" +"Warnings:\n" +"\n" +"%2" #: molequeue/inputgeneratorwidget.cpp:557 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 @@ -371,80 +416,85 @@ msgid "" "\n" "Would you like to continue?" msgstr "" +"Warning:\n" +"\n" +"%1\n" +"\n" +"Would you like to continue?" #: molequeue/inputgeneratorwidget.cpp:561 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" -msgstr "" +msgstr "Write input files" #: molequeue/inputgeneratorwidget.cpp:608 msgid "Configure Job" -msgstr "" +msgstr "Configure Job" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" -msgstr "" +msgstr "Submitting job to MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" -msgstr "" +msgstr "Job Submission Timeout" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." -msgstr "" +msgstr "Avogadro timed out waiting for a reply from MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" -msgstr "" +msgstr "Waiting for job %1 “%2” to finish…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" -msgstr "" +msgstr "Stop waiting" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" -msgstr "" +msgstr "Fetching completed job information…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" -msgstr "" +msgstr "Job Retrieval Timeout" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." -msgstr "" +msgstr "Avogadro timed out waiting for the finished job details from MoleQueue." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" -msgstr "" +msgstr "Error Submitting Job" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" -msgstr "" +msgstr "The job has been rejected by MoleQueue: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." -msgstr "" +msgstr "No program selected." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." -msgstr "" +msgstr "Please select the target program from the \"Queue and Program\" list." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." -msgstr "" +msgstr "Client failed to submit job to MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." -msgstr "" +msgstr "Internal error." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." -msgstr "" +msgstr "Unable to resolve program selection. This is a bug." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" @@ -452,7 +502,7 @@ msgstr "No molecule set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" -msgstr "" +msgstr "No Io::FileFormat set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" @@ -460,11 +510,11 @@ msgstr "No file name set in BackgroundFileFormat!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" -msgstr "" +msgstr "Split Horizontal" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" -msgstr "" +msgstr "Split Vertical" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) @@ -692,7 +742,7 @@ msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" -msgstr "" +msgstr "Caesium" #: qtgui/elementtranslator.cpp:184 msgid "Barium" @@ -947,120 +997,122 @@ msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:27 -#, fuzzy msgid "Browse" -msgstr "Browse..." +msgstr "Browse" #: qtgui/filebrowsewidget.cpp:101 msgid "Select file:" -msgstr "" +msgstr "Select file:" #: qtgui/filebrowsewidget.cpp:104 msgid "Select executable:" -msgstr "" +msgstr "Select executable:" #: qtgui/fileformatdialog.cpp:48 msgid "" "The file name contains invalid characters. Please choose another file name." msgstr "" +"The file name contains invalid characters. Please choose another file name." #: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." -msgstr "" +msgstr "Unable to find a suitable file reader for the selected file." #: qtgui/fileformatdialog.cpp:108 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" +"The file extension is missing, so the format cannot be determined. Do you " +"want to add it?" #: qtgui/fileformatdialog.cpp:122 msgid "Unable to find a suitable file writer for the selected format." -msgstr "" +msgstr "Unable to find a suitable file writer for the selected format." #: qtgui/fileformatdialog.cpp:171 msgctxt "File handlers" msgid "handlers" -msgstr "" +msgstr "handlers" #: qtgui/fileformatdialog.cpp:172 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" -msgstr "" +msgstr "handle" #: qtgui/fileformatdialog.cpp:176 msgctxt "File readers" msgid "readers" -msgstr "" +msgstr "readers" #: qtgui/fileformatdialog.cpp:177 msgctxt "e.g. file readers that can 'read' this file." msgid "read" -msgstr "" +msgstr "read" #: qtgui/fileformatdialog.cpp:181 msgctxt "File writers" msgid "writers" -msgstr "" +msgstr "writers" #: qtgui/fileformatdialog.cpp:182 msgctxt "e.g. file writers that can 'write' this file." msgid "write" -msgstr "" +msgstr "write" #: qtgui/fileformatdialog.cpp:187 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" -msgstr "" +msgstr "Multiple %1 found that can %2 this format. Which should be used?" #: qtgui/fileformatdialog.cpp:287 -#, fuzzy msgid "All files" -msgstr "All Files" +msgstr "All files" #: qtgui/fileformatdialog.cpp:290 msgid "All supported formats" -msgstr "" +msgstr "All supported formats" #: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" -msgstr "" +msgstr "Error reading molecule representation: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" +"Error writing molecule representation to string: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" -msgstr "" +msgstr "Error writing molecule representation to string: %1" #: qtgui/jsonwidget.cpp:55 msgid "'userOptions' missing." -msgstr "" +msgstr "'userOptions' missing." #: qtgui/jsonwidget.cpp:86 #, qt-format msgid "Option '%1' does not refer to an object." -msgstr "" +msgstr "Option '%1' does not refer to an object." #: qtgui/jsonwidget.cpp:93 #, qt-format msgid "'type' is not a string for option '%1'." -msgstr "" +msgstr "'type' is not a string for option '%1'." #: qtgui/jsonwidget.cpp:100 -#, fuzzy, qt-format +#, qt-format msgid "Could not find option '%1'." -msgstr "Could not run povray." +msgstr "Could not find option '%1'." #: qtgui/jsonwidget.cpp:154 #, qt-format msgid "Tab %1" -msgstr "" +msgstr "Tab %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) @@ -1070,20 +1122,19 @@ msgstr "Title" #: qtgui/jsonwidget.cpp:181 msgid "Filename Base" -msgstr "" +msgstr "Filename Base" #: qtgui/jsonwidget.cpp:186 msgid "Processor Cores" -msgstr "" +msgstr "Processor Cores" #: qtgui/jsonwidget.cpp:191 msgid "Calculation Type" -msgstr "" +msgstr "Calculation Type" #: qtgui/jsonwidget.cpp:195 -#, fuzzy msgid "Theory" -msgstr "Theory:" +msgstr "Theory" #: qtgui/jsonwidget.cpp:195 msgid "Basis" @@ -1091,33 +1142,33 @@ msgstr "Basis" #: qtgui/jsonwidget.cpp:200 qtgui/jsonwidget.cpp:204 msgid "Charge" -msgstr "" +msgstr "Charge" #: qtgui/jsonwidget.cpp:201 qtgui/jsonwidget.cpp:206 msgid "Multiplicity" -msgstr "" +msgstr "Multiplicity" #: qtgui/jsonwidget.cpp:525 #, qt-format msgid "Error: value must be object for key '%1'." -msgstr "" +msgstr "Error: value must be object for key '%1'." #: qtgui/jsonwidget.cpp:556 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." -msgstr "" +msgstr "Unrecognized option type '%1' for option '%2'." #: qtgui/jsonwidget.cpp:565 qtgui/jsonwidget.cpp:600 qtgui/jsonwidget.cpp:622 #: qtgui/jsonwidget.cpp:643 qtgui/jsonwidget.cpp:665 qtgui/jsonwidget.cpp:686 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." -msgstr "" +msgstr "Error setting default for option '%1'. Bad widget type." #: qtgui/jsonwidget.cpp:572 qtgui/jsonwidget.cpp:607 qtgui/jsonwidget.cpp:629 #: qtgui/jsonwidget.cpp:650 qtgui/jsonwidget.cpp:672 qtgui/jsonwidget.cpp:693 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" -msgstr "" +msgstr "Error setting default for option '%1'. Bad default value:" #: qtgui/jsonwidget.cpp:586 #, qt-format @@ -1125,74 +1176,71 @@ msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" +"Error setting default for option '%1'. Could not find valid combo entry " +"index from value:" #: qtgui/jsonwidget.cpp:754 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." -msgstr "" +msgstr "Unhandled widget in collectOptions for option '%1'." #: qtgui/jsonwidget.cpp:796 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:395 -#, fuzzy msgid "[no molecule]" -msgstr "No molecule set" +msgstr "[no molecule]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" -msgstr "" +msgstr "Layer %1" #: qtgui/layermodel.cpp:135 qtplugins/ballandstick/ballandstick.h:29 msgid "Ball and Stick" msgstr "Ball and Stick" #: qtgui/layermodel.cpp:137 qtplugins/cartoons/cartoons.h:30 -#, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" -msgstr "Cartoon" +msgstr "Cartoons" #: qtgui/layermodel.cpp:139 qtplugins/closecontacts/closecontacts.h:30 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" -msgstr "" +msgstr "Close Contacts" #: qtgui/layermodel.cpp:141 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" -msgstr "" +msgstr "Crystal Lattice" #: qtgui/layermodel.cpp:143 qtplugins/force/force.h:28 msgid "Force" msgstr "Force" #: qtgui/layermodel.cpp:145 qtplugins/label/label.h:25 -#, fuzzy msgid "Labels" -msgstr "Label" +msgstr "Labels" #: qtgui/layermodel.cpp:147 qtplugins/licorice/licorice.h:29 msgctxt "stick / licorice rendering" msgid "Licorice" -msgstr "" +msgstr "Licorice" #: qtgui/layermodel.cpp:149 qtplugins/meshes/meshes.h:29 msgid "Meshes" -msgstr "" +msgstr "Meshes" #: qtgui/layermodel.cpp:151 qtplugins/noncovalent/noncovalent.h:30 -#, fuzzy -#| msgid "Covalent" msgid "Non-Covalent" -msgstr "Covalent" +msgstr "Non-Covalent" #: qtgui/layermodel.cpp:153 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" -msgstr "" +msgstr "QTAIM" #: qtgui/layermodel.cpp:155 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" -msgstr "" +msgstr "Symmetry Elements" #: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 @@ -1200,10 +1248,9 @@ msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:159 qtplugins/vanderwaalsao/vanderwaalsao.h:29 -#, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" -msgstr "Van der Waals" +msgstr "Van der Waals (AO)" #: qtgui/layermodel.cpp:161 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" @@ -1215,7 +1262,7 @@ msgstr "Untitled" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" -msgstr "" +msgstr "Create a new view" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" @@ -1224,7 +1271,7 @@ msgstr "Periodic Table" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." -msgstr "" +msgstr "Error running script '%1 %2': Timed out waiting for start (%3)." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format @@ -1232,11 +1279,13 @@ msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" +"Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " +"bytes, QProcess error: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." -msgstr "" +msgstr "Error running script '%1 %2': Timed out waiting for finish (%3)." #: qtgui/pythonscript.cpp:136 #, qt-format @@ -1246,67 +1295,68 @@ msgid "" "Output:\n" "%6" msgstr "" +"Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" +"\n" +"Output:\n" +"%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" -msgstr "" +msgstr "Warning '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." -msgstr "" +msgstr "Script failed to start." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." -msgstr "" +msgstr "Script crashed." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." -msgstr "" +msgstr "Script timed out." #: qtgui/pythonscript.cpp:276 msgid "Read error." -msgstr "" +msgstr "Read error." #: qtgui/pythonscript.cpp:279 msgid "Write error." -msgstr "" +msgstr "Write error." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." -msgstr "" +msgstr "Unknown error." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:105 #: qtgui/rwlayermanager.cpp:131 msgid "Modify Layers" -msgstr "" +msgstr "Modify Layers" #: qtgui/rwlayermanager.cpp:194 -#, fuzzy msgid "Remove Layer" -msgstr "Remove Hydrogens" +msgstr "Remove Layer" #: qtgui/rwlayermanager.cpp:201 -#, fuzzy msgid "Remove Layer Info" -msgstr "Remove Hydrogens" +msgstr "Remove Layer Info" #: qtgui/rwlayermanager.cpp:210 msgid "Add Layer" -msgstr "" +msgstr "Add Layer" #: qtgui/rwlayermanager.cpp:213 msgid "Add Layer Info" -msgstr "" +msgstr "Add Layer Info" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 #: qtplugins/selectiontool/selectiontool.cpp:254:1567 -#, fuzzy msgid "Change Layer" -msgstr "Change Bond Order" +msgstr "Change Layer" #: qtgui/rwmolecule.cpp:38 qtgui/rwmolecule.cpp:47 msgid "Add Atom" @@ -1319,7 +1369,7 @@ msgstr "Remove Atom" #: qtgui/rwmolecule.cpp:94 msgid "Clear Atoms" -msgstr "" +msgstr "Clear Atoms" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) @@ -1328,9 +1378,8 @@ msgid "Adjust Hydrogens" msgstr "Adjust Hydrogens" #: qtgui/rwmolecule.cpp:142 -#, fuzzy msgid "Change Elements" -msgstr "Change Element" +msgstr "Change Elements" #: qtgui/rwmolecule.cpp:154 msgid "Change Element" @@ -1338,20 +1387,19 @@ msgstr "Change Element" #: qtgui/rwmolecule.cpp:220 msgid "Change Atom Hybridization" -msgstr "" +msgstr "Change Atom Hybridization" #: qtgui/rwmolecule.cpp:232 msgid "Change Atom Formal Charge" -msgstr "" +msgstr "Change Atom Formal Charge" #: qtgui/rwmolecule.cpp:244 msgid "Change Atom Color" -msgstr "" +msgstr "Change Atom Color" #: qtgui/rwmolecule.cpp:256 -#, fuzzy msgid "Change Atom Layer" -msgstr "Change Bond Order" +msgstr "Change Atom Layer" #: qtgui/rwmolecule.cpp:272 msgid "Add Bond" @@ -1359,79 +1407,72 @@ msgstr "Add Bond" #: qtgui/rwmolecule.cpp:298 msgid "Removed Bond" -msgstr "" +msgstr "Removed Bond" #: qtgui/rwmolecule.cpp:305 -#, fuzzy msgid "Clear Bonds" -msgstr "Delete Bond" +msgstr "Clear Bonds" #: qtgui/rwmolecule.cpp:320 -#, fuzzy msgid "Set Bond Orders" -msgstr "Bond Order" +msgstr "Set Bond Orders" #: qtgui/rwmolecule.cpp:332 msgid "Change Bond Order" msgstr "Change Bond Order" #: qtgui/rwmolecule.cpp:355 -#, fuzzy msgid "Update Bonds" -msgstr " Snap-to Bonds" +msgstr "Update Bonds" #: qtgui/rwmolecule.cpp:374 msgid "Update Bond" -msgstr "" +msgstr "Update Bond" #: qtgui/rwmolecule.cpp:394 -#, fuzzy msgid "Add Unit Cell" -msgstr "Fill Unit Cell" +msgstr "Add &Unit Cell" #: qtgui/rwmolecule.cpp:407 -#, fuzzy msgid "Remove Unit Cell" -msgstr "Fill Unit Cell" +msgstr "Remove &Unit Cell" #: qtgui/rwmolecule.cpp:472 msgid "Edit Unit Cell" -msgstr "" +msgstr "Edit Unit Cell" #: qtgui/rwmolecule.cpp:489 msgid "Wrap Atoms to Cell" -msgstr "" +msgstr "&Wrap Atoms to Cell" #: qtgui/rwmolecule.cpp:512 msgid "Scale Cell Volume" -msgstr "" +msgstr "Scale Cell Volume" #: qtgui/rwmolecule.cpp:532 -#, fuzzy msgid "Build Super Cell" -msgstr "Super Cell" +msgstr "Build Super Cell" #: qtgui/rwmolecule.cpp:556 msgid "Niggli Reduction" -msgstr "" +msgstr "Niggli Reduction" #: qtgui/rwmolecule.cpp:578 msgid "Rotate to Standard Orientation" -msgstr "" +msgstr "Rotate to Standard Orientation" #: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" -msgstr "" +msgstr "Reduce to Primitive" #: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" -msgstr "" +msgstr "Conventionalize Cell" #: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 -#, fuzzy msgid "Symmetrize Cell" -msgstr "Super Cell" +msgstr "Symmetrize Cell" #: qtgui/rwmolecule.cpp:672 msgid "Fill Unit Cell" @@ -1439,46 +1480,41 @@ msgstr "Fill Unit Cell" #: qtgui/rwmolecule.cpp:692 msgid "Reduce Cell to Asymmetric Unit" -msgstr "" +msgstr "Reduce Cell to Asymmetric Unit" #: qtgui/rwmolecule.h:214 -#, fuzzy msgid "Change Atom Positions" -msgstr "Change Bond Order" +msgstr "Change Atom Positions" #: qtgui/rwmolecule.h:224 -#, fuzzy msgid "Change Atom Position" -msgstr "Change Bond Order" +msgstr "Change Atom Position" #: qtgui/rwmolecule.h:228 -#, fuzzy msgid "Change Atom Label" -msgstr "Change Bond Order" +msgstr "Change Atom Label" #: qtgui/rwmolecule.h:234 -#, fuzzy -#| msgid "Ignore Selection" msgid "Change Selection" -msgstr "Ignore Selection" +msgstr "Change Selection" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" -msgstr "" +msgstr "Modify Molecule" #: qtgui/scriptloader.cpp:41 #, qt-format msgid "Cannot load script %1" -msgstr "" +msgstr "Cannot load script %1" #: qtgui/scriptloader.cpp:68 #, qt-format msgid "Checking for %1 scripts in path %2" -msgstr "" +msgstr "Checking for %1 scripts in path %2" #: qtplugins/3dmol/3dmol.cpp:41 msgid "3DMol HTML Block." -msgstr "" +msgstr "3DMol HTML Block." #: qtplugins/3dmol/3dmol.cpp:51 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:43 @@ -1497,7 +1533,7 @@ msgstr "&Export" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" -msgstr "" +msgstr "ThreeDMol" #: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 msgid "Align" @@ -1513,38 +1549,37 @@ msgid "" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" +"Align Molecules\n" +"\n" +"Left Mouse: \tSelect up to two atoms.\n" +"\tThe first atom is centred at the origin.\n" +"\tThe second atom is aligned to the selected axis.\n" +"Right Mouse: \tReset alignment.\n" +"Double-Click: \tCentre the atom at the origin." #: qtplugins/aligntool/aligntool.cpp:75 msgid "Axis:" msgstr "Axis:" #: qtplugins/aligntool/aligntool.cpp:152 -#, fuzzy -#| msgid "Align Settings" msgid "Align at Origin" -msgstr "Align Settings" +msgstr "Align at Origin" #: qtplugins/aligntool/aligntool.cpp:188 -#, fuzzy -#| msgid "Align Settings" msgid "Align to Axis" -msgstr "Align Settings" +msgstr "Align to Axis" #: qtplugins/aligntool/aligntool.cpp:304 -#, fuzzy -#| msgid "Renders the x, y, and z axes at the origin" msgid "Center the atom at the origin." -msgstr "Renders the x, y and z axes at the origin" +msgstr "Center the atom at the origin." #: qtplugins/aligntool/aligntool.cpp:307 msgid "Rotate the molecule to align the atom to the specified axis." -msgstr "" +msgstr "Rotate the molecule to align the atom to the specified axis." #: qtplugins/aligntool/aligntool.h:30 -#, fuzzy -#| msgid "Align" msgid "Align tool" -msgstr "Align" +msgstr "Align tool" #: qtplugins/aligntool/aligntool.h:33 msgid "Align molecules to a Cartesian axis" @@ -1552,11 +1587,11 @@ msgstr "Align molecules to a Cartesian axis" #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" -msgstr "" +msgstr "Run APBS…" #: qtplugins/apbs/apbs.cpp:36 msgid "Open Output File…" -msgstr "" +msgstr "Open Output File…" #: qtplugins/apbs/apbs.cpp:49 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:52 @@ -1564,70 +1599,69 @@ msgstr "" #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:71 msgid "&Input" -msgstr "" +msgstr "&Input" #: qtplugins/apbs/apbs.cpp:49 msgid "&APBS" -msgstr "" +msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:61 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:72 #: qtplugins/quantuminput/quantuminput.cpp:95 msgid "Open Output File" -msgstr "" +msgstr "Open Output File" #: qtplugins/apbs/apbs.cpp:62 msgid "OpenDX File (*.dx)" -msgstr "" +msgstr "OpenDX File (*.dx)" #: qtplugins/apbs/apbs.cpp:115 -#, fuzzy msgid "IO Error" -msgstr "Error" +msgstr "IO Error" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." -msgstr "" +msgstr "Error reading structure file (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" -msgstr "" +msgstr "OpenDX Error" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" -msgstr "" +msgstr "Error reading OpenDX file: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" -msgstr "" +msgstr "Error reading OpenDX file: No cube found" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:31:84 msgid "APBS" -msgstr "" +msgstr "APBS" #: qtplugins/apbs/apbs.h:34 msgid "Interact with APBS utilities." -msgstr "" +msgstr "Interact with APBS utilities." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" -msgstr "" +msgstr "Open PDB File" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" -msgstr "" +msgstr "PDB Files (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" -msgstr "" +msgstr "Open PQR File" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" -msgstr "" +msgstr "PQR Files (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:104 @@ -1652,67 +1686,59 @@ msgstr "Error" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" -msgstr "" +msgstr "Error running APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" -msgstr "" +msgstr "Please specify PDB file" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" -msgstr "" +msgstr "Save APBS Input File" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "ABPS Input (*.in)" -msgstr "" +msgstr "ABPS Input (*.in)" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:144 -#, fuzzy msgid "Success" -msgstr "Success!" +msgstr "Success" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" -msgstr "" +msgstr "Input file written to '%1'" #: qtplugins/applycolors/applycolors.cpp:43 #: qtplugins/applycolors/applycolors.cpp:64 -#, fuzzy msgid "By Custom Color…" -msgstr "Custom Colour" +msgstr "By Custom Colour…" #: qtplugins/applycolors/applycolors.cpp:48 -#, fuzzy msgid "By Atomic Index" -msgstr "Atom Indices" +msgstr "By Atomic Index" #: qtplugins/applycolors/applycolors.cpp:53 -#, fuzzy msgid "By Distance" -msgstr "Distance" +msgstr "By Distance" #: qtplugins/applycolors/applycolors.cpp:58 -#, fuzzy msgid "By Element" -msgstr "Element" +msgstr "By Element" #: qtplugins/applycolors/applycolors.cpp:69 msgid "By Chain" -msgstr "" +msgstr "By Chain" #: qtplugins/applycolors/applycolors.cpp:74 -#, fuzzy -#| msgid "Partial charge" msgid "By Partial Charge…" -msgstr "Partial charge" +msgstr "By Partial Charge…" #: qtplugins/applycolors/applycolors.cpp:79 -#, fuzzy msgid "By Secondary Structure" -msgstr "Renders protein secondary structure" +msgstr "By Secondary Structure" #: qtplugins/applycolors/applycolors.cpp:84 msgid "By Amino Acid" @@ -1720,7 +1746,7 @@ msgstr "By Amino Acid" #: qtplugins/applycolors/applycolors.cpp:89 msgid "By Shapely Scheme" -msgstr "" +msgstr "By Shapely Scheme" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 @@ -1728,25 +1754,25 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" -msgstr "" +msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:106 #: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" -msgstr "" +msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" -msgstr "" +msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" -msgstr "" +msgstr "Grey" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 @@ -1754,7 +1780,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" -msgstr "" +msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 @@ -1762,7 +1788,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" -msgstr "" +msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 @@ -1770,7 +1796,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" -msgstr "" +msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 @@ -1778,7 +1804,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" -msgstr "" +msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 @@ -1786,7 +1812,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" -msgstr "" +msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1796,11 +1822,9 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 #: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 -#, fuzzy -#| msgid "Spectra" msgctxt "colormap" msgid "Spectral" -msgstr "Spectra" +msgstr "Spectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1810,7 +1834,7 @@ msgstr "Spectra" #: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" -msgstr "" +msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1818,11 +1842,9 @@ msgstr "" #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 -#, fuzzy -#| msgid "Cancel" msgctxt "colormap" msgid "Balance" -msgstr "Cancel" +msgstr "Balance" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1832,7 +1854,7 @@ msgstr "Cancel" #: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" -msgstr "" +msgstr "Blue-DarkRed" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1844,11 +1866,11 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" -msgstr "" +msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:138 msgid "Apply color schemes to atoms and residues." -msgstr "" +msgstr "Apply colour schemes to atoms and residues." #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 @@ -1858,21 +1880,17 @@ msgid "&View" msgstr "&View" #: qtplugins/applycolors/applycolors.cpp:149 -#, fuzzy msgid "Color Atoms" -msgstr "Colours" +msgstr "Colour Atoms" #: qtplugins/applycolors/applycolors.cpp:151 -#, fuzzy msgid "Color Residues" -msgstr "Colour by Residue" +msgstr "Colour Residues" #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305 -#, fuzzy -#| msgid "Selected Colors" msgid "Select Colormap" -msgstr "Selected Colours" +msgstr "Select Colourmap" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) @@ -1880,46 +1898,38 @@ msgstr "Selected Colours" #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 -#, fuzzy -#| msgid "Color:" msgid "Colormap:" -msgstr "Colour:" +msgstr "Colourmap:" #: qtplugins/applycolors/applycolors.h:29 -#, fuzzy msgid "ApplyColors" -msgstr "Colours" +msgstr "ApplyColours" #: qtplugins/ballandstick/ballandstick.cpp:91 -#, fuzzy msgid "Atom scale" -msgstr "Atom Labels" +msgstr "Atom scale" #: qtplugins/ballandstick/ballandstick.cpp:100 -#, fuzzy msgid "Bond scale" -msgstr "Bond Angle" +msgstr "Bond scale" #: qtplugins/ballandstick/ballandstick.cpp:103 #: qtplugins/wireframe/wireframe.cpp:92 -#, fuzzy msgid "Show multiple bonds" -msgstr "Show Multiple Bonds" +msgstr "Show multiple bonds" #: qtplugins/ballandstick/ballandstick.cpp:109 #: qtplugins/wireframe/wireframe.cpp:98 -#, fuzzy msgid "Show hydrogens" -msgstr "Hydrogens" +msgstr "Show hydrogens" #: qtplugins/ballandstick/ballandstick.h:33 msgid "Render atoms as spheres and bonds as cylinders." -msgstr "" +msgstr "Render atoms as spheres and bonds as cylinders." #: qtplugins/bondcentrictool/bondcentrictool.cpp:121 -#, fuzzy msgid "Bond-Centric Manipulation" -msgstr "Bond Centric Manipulation" +msgstr "Bond-Centric Manipulation" #: qtplugins/bondcentrictool/bondcentrictool.cpp:124 msgid "" @@ -1934,6 +1944,16 @@ msgid "" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" +"Bond Centric Manipulation Tool\n" +"\n" +"Left Mouse: \tClick and drag to rotate the view.\n" +"Middle Mouse: \tClick and drag to zoom in or out.\n" +"Right Mouse: \tClick and drag to move the view.\n" +"Double-Click: \tReset the view.\n" +"\n" +"Left Click & Drag on a Bond to set the Manipulation Plane:\n" +"Left Click & Drag one of the Atoms in the Bond to change the angle\n" +"Right Click & Drag one of the Atoms in the Bond to change the length" #: qtplugins/bondcentrictool/bondcentrictool.cpp:776 #: qtplugins/bondcentrictool/bondcentrictool.cpp:864 @@ -1942,7 +1962,7 @@ msgstr "" #: qtplugins/measuretool/measuretool.cpp:212 #, qt-format msgid "%L1°" -msgstr "" +msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:798 #: qtplugins/editor/editor.cpp:260 qtplugins/measuretool/measuretool.cpp:219 @@ -1950,40 +1970,37 @@ msgstr "" #: qtplugins/measuretool/measuretool.cpp:222 #, qt-format msgid "%L1 Å" -msgstr "" +msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:168 -#, fuzzy msgid "Bond centric manipulation tool." -msgstr "Bond Centric Manipulation" +msgstr "Bond centric manipulation tool." #: qtplugins/bondcentrictool/bondcentrictool.h:173 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" +"Tool used to edit molecular geometry by changing bond lengths and angles." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" -msgstr "" +msgstr "Bond Atoms" #: qtplugins/bonding/bonding.cpp:29 -#, fuzzy msgid "Perceive Bond Orders" -msgstr "Perceive bonds?" +msgstr "Perceive Bond Orders" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" -msgstr "" +msgstr "Remove Bonds" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" -msgstr "" +msgstr "Configure Bonding…" #: qtplugins/bonding/bonding.cpp:32 -#, fuzzy -#| msgid "Fix Selected Atoms" msgid "Bond Selected Atoms" -msgstr "Fix Selected Atoms" +msgstr "Bond Selected Atoms" #: qtplugins/bonding/bonding.cpp:63 qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 @@ -1996,33 +2013,30 @@ msgstr "&Build" #: qtplugins/bonding/bonding.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:422 -#, fuzzy msgid "Bond" msgstr "Bond" #: qtplugins/bonding/bonding.cpp:74 msgid "Remove bonds from all or selected atoms." -msgstr "" +msgstr "Remove bonds from all or selected atoms." #: qtplugins/bonding/bonding.cpp:76 msgid "Create bonds between all or selected atoms." -msgstr "" +msgstr "Create bonds between all or selected atoms." #: qtplugins/bonding/bonding.cpp:77 -#, fuzzy msgid "Perceive bond orders." -msgstr "Perceive bonds?" +msgstr "Perceive bond orders." #: qtplugins/bonding/bonding.h:32 msgid "Bonding" -msgstr "" +msgstr "Bonding" #: qtplugins/bonding/bonding.h:36 msgid "Perform bonding operations." -msgstr "" +msgstr "Perform bonding operations." #: qtplugins/cartoons/cartoons.cpp:93 -#, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Backbone" @@ -2030,27 +2044,24 @@ msgstr "Backbone" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Trace" -msgstr "" +msgstr "Trace" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Tube" -msgstr "" +msgstr "Tube" #: qtplugins/cartoons/cartoons.cpp:96 -#, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Ribbon" #: qtplugins/cartoons/cartoons.cpp:97 -#, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" -msgstr "Cartoon" +msgstr "Simple Cartoon" #: qtplugins/cartoons/cartoons.cpp:98 -#, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Cartoon" @@ -2058,38 +2069,32 @@ msgstr "Cartoon" #: qtplugins/cartoons/cartoons.cpp:99 msgctxt "protein rendering style" msgid "Rope" -msgstr "" +msgstr "Rope" #: qtplugins/cartoons/cartoons.h:34 msgid "Display of biomolecule ribbons / cartoons." -msgstr "" +msgstr "Display of biomolecule ribbons/cartoons." #: qtplugins/centroid/centroid.cpp:20 -#, fuzzy -#| msgid "Add Constraints" msgid "Add Centroid" -msgstr "Add Constraints" +msgstr "Add Centroid" #: qtplugins/centroid/centroid.cpp:21 -#, fuzzy -#| msgid "Add Constraints" msgid "Add Center of Mass" -msgstr "Add Constraints" +msgstr "Add Centre of Mass" #: qtplugins/centroid/centroid.cpp:23 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" -msgstr "" +msgstr "Add Perpendicular" #: qtplugins/centroid/centroid.h:26 -#, fuzzy -#| msgid "Control" msgid "Centroid" -msgstr "Control" +msgstr "Centroid" #: qtplugins/centroid/centroid.h:30 msgid "Add centroids and center-of-mass." -msgstr "" +msgstr "Add centroids and centre-of-mass." #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) @@ -2118,42 +2123,39 @@ msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:215 #: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 msgid " Å" -msgstr "" +msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:232 #: qtplugins/noncovalent/noncovalent.cpp:369 -#, fuzzy msgid "Maximum distance:" -msgstr "Distance" +msgstr "Maximum distance:" #: qtplugins/closecontacts/closecontacts.cpp:233 #: qtplugins/crystal/crystalscene.cpp:133 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:88 msgid "Line width:" -msgstr "" +msgstr "Line width:" #: qtplugins/closecontacts/closecontacts.h:34 -#, fuzzy -#| msgid "Renders force displacements on atoms" msgid "Render close contacts between atoms." -msgstr "Renders force displacements on atoms" +msgstr "Render close contacts between atoms." #: qtplugins/closecontacts/closecontacts.h:52 msgid "Contact" -msgstr "" +msgstr "Contact" #: qtplugins/closecontacts/closecontacts.h:52 msgid "Salt Bridge" -msgstr "" +msgstr "Salt Bridge" #: qtplugins/closecontacts/closecontacts.h:52 msgid "Repulsive" -msgstr "" +msgstr "Repulsive" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" -msgstr "" +msgstr "Edit Colour Opacity Map…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 @@ -2167,15 +2169,14 @@ msgstr "&Extensions" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" -msgstr "" +msgstr "ColourOpacityMap" #: qtplugins/coloropacitymap/coloropacitymap.h:56 msgid "Edit color opacity maps, primarily for volume rendering." -msgstr "" +msgstr "Edit colour opacity maps, primarily for volume rendering." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 -#, fuzzy msgid "Scripts" msgstr "&Scripts" @@ -2190,103 +2191,100 @@ msgid "" "Error reading output file '%1':\n" "%2" msgstr "" +"Error reading output file '%1':\n" +"%2" #: qtplugins/commandscripts/command.cpp:194 #, qt-format msgid "Processing %1" -msgstr "" +msgstr "Processing %1" #: qtplugins/commandscripts/command.cpp:249 #: qtplugins/quantuminput/quantuminput.cpp:178 msgid "Set path to Python interpreter:" -msgstr "" +msgstr "Set path to Python interpreter:" #: qtplugins/commandscripts/command.cpp:251 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" +"Select the Python interpreter to run external scripts.\n" +"Avogadro must be restarted for any changes to take effect." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" -msgstr "" +msgstr "Command scripts" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" -msgstr "" +msgstr "Run external script commands" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 -#, fuzzy msgid "Atomic &Coordinate Editor…" -msgstr "Cartesian coordinates editor" +msgstr "Atomic &Coordinate Editor…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 -#, fuzzy msgid "Coordinate editor" -msgstr "Cartesian coordinates editor" +msgstr "Coordinate editor" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." -msgstr "" +msgstr "Text editing of atomic coordinates." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:224 msgid "Overwrite changes?" -msgstr "" +msgstr "Overwrite changes?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:225 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" +"The text document has been modified. Would you like to discard your changes " +"and revert to the current molecule?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:352 msgid "Too few entries on line." -msgstr "" +msgstr "Too few entries on line." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:368 msgid "Invalid element name." -msgstr "" +msgstr "Invalid element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:370 -#, fuzzy msgid "Element name." -msgstr "Element name" +msgstr "Element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:382 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:404 -#, fuzzy msgid "Invalid element symbol." -msgstr "Element symbol" +msgstr "Invalid element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:384 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:406 -#, fuzzy msgid "Element symbol." -msgstr "Element symbol" +msgstr "Element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:397 -#, fuzzy msgid "Invalid atom label." -msgstr "Atom Indices" +msgstr "Invalid atom label." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:415 -#, fuzzy msgid "Invalid atomic index." -msgstr "Atom Indices" +msgstr "Invalid atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:417 -#, fuzzy msgid "Atomic index." -msgstr "Atom Indices" +msgstr "Atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:427 msgid "Invalid atomic number." -msgstr "" +msgstr "Invalid atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:429 -#, fuzzy msgid "Atomic number." -msgstr "Atom number" +msgstr "Atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:438 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:449 @@ -2295,39 +2293,35 @@ msgstr "Atom number" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:482 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:493 msgid "Invalid coordinate." -msgstr "" +msgstr "Invalid coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:440 -#, fuzzy msgid "X coordinate." -msgstr "Cartesian coordinates" +msgstr "X coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:451 -#, fuzzy msgid "Y coordinate." -msgstr "Cartesian coordinates" +msgstr "Y coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:462 -#, fuzzy msgid "Z coordinate." -msgstr "Cartesian coordinates" +msgstr "Z coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:473 msgid "'a' lattice coordinate." -msgstr "" +msgstr "'a' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:484 msgid "'b' lattice coordinate." -msgstr "" +msgstr "'b' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:495 -#, fuzzy msgid "'c' lattice coordinate." -msgstr "Cartesian coordinates" +msgstr "'c' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:579 msgid "Error applying geometry" -msgstr "" +msgstr "Error applying geometry" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:580 msgid "" @@ -2336,10 +2330,14 @@ msgid "" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" +"Could not parse geometry specification. Fix the highlighted errors and try " +"again.\n" +"\n" +"(Hint: Hold the mouse over red text for a description of the error.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:615 msgid "Edit Atomic Coordinates" -msgstr "" +msgstr "Edit Atomic Coordinates" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) @@ -2348,68 +2346,65 @@ msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 #: qtplugins/label/label.cpp:158:1645 rc.cpp:1675 msgid "Custom" -msgstr "" +msgstr "Custom" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:634 msgid "XYZ format (symbols)" -msgstr "" +msgstr "XYZ format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:635 msgid "XYZ format (names)" -msgstr "" +msgstr "XYZ format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:636 msgid "XYZ format (atomic numbers)" -msgstr "" +msgstr "XYZ format (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:637 msgid "Lattice coordinates (symbols)" -msgstr "" +msgstr "Lattice coordinates (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 msgid "Lattice coordinates (names)" -msgstr "" +msgstr "Lattice coordinates (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "Lattice coordinates (atomic numbers)" -msgstr "" +msgstr "Lattice coordinates (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "GAMESS format (symbols)" -msgstr "" +msgstr "GAMESS format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "GAMESS format (names)" -msgstr "" +msgstr "GAMESS format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 -#, fuzzy msgid "Turbomole format" -msgstr "Turbomole Input" +msgstr "Turbomole format" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:31:240 -#, fuzzy msgid "Copy" -msgstr "Copy All" +msgstr "Copy" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:79 #: qtplugins/lineformatinput/lineformatinput.cpp:46 -#, fuzzy msgid "SMILES" -msgstr "SMILES..." +msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:33 qtplugins/copypaste/copypaste.cpp:79 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" -msgstr "" +msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:34:237 msgid "Cut" -msgstr "" +msgstr "Cut" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) @@ -2419,24 +2414,23 @@ msgstr "Clear" #: qtplugins/copypaste/copypaste.cpp:36 msgid "&Paste" -msgstr "" +msgstr "&Paste" #: qtplugins/copypaste/copypaste.cpp:80 qtplugins/copypaste/copypaste.cpp:82 msgid "&Edit" -msgstr "" +msgstr "&Edit" #: qtplugins/copypaste/copypaste.cpp:82 -#, fuzzy msgid "Copy As" -msgstr "Copy All" +msgstr "Copy As" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" -msgstr "" +msgstr "Error Clipping Molecule" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." -msgstr "" +msgstr "Error generating clipboard data." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format @@ -2445,6 +2439,8 @@ msgid "" "Output format: %1\n" "%2" msgstr "" +"Output format: %1\n" +"%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:274 #, qt-format @@ -2452,18 +2448,20 @@ msgid "" "Reader error:\n" "%1" msgstr "" +"Reader error:\n" +"%1" #: qtplugins/copypaste/copypaste.cpp:235 qtplugins/copypaste/copypaste.cpp:268 msgid "Error Pasting Molecule" -msgstr "" +msgstr "Error Pasting Molecule" #: qtplugins/copypaste/copypaste.cpp:236 msgid "Cannot paste molecule: Clipboard empty!" -msgstr "" +msgstr "Cannot paste molecule: Clipboard empty!" #: qtplugins/copypaste/copypaste.cpp:269 msgid "Error reading clipboard data." -msgstr "" +msgstr "Error reading clipboard data." #: qtplugins/copypaste/copypaste.cpp:270 #, qt-format @@ -2472,26 +2470,28 @@ msgid "" "Detected format: %1\n" "%2" msgstr "" +"Detected format: %1\n" +"%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" -msgstr "" +msgstr "Copy and paste" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." -msgstr "" +msgstr "Interact with the clipboard." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" -msgstr "" +msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" -msgstr "" +msgstr "CP2K input" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." -msgstr "" +msgstr "Generate input for CP2K." #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:83 @@ -2500,101 +2500,96 @@ msgstr "Energy" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" -msgstr "" +msgstr "Energy and Forces" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 -#, fuzzy msgid "Molecular Dynamics" -msgstr "Molecular Dynamics (300K)" +msgstr "Molecular Dynamics" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 -#, fuzzy msgid "Geometry Optimization" -msgstr "Geometric Optimisation" +msgstr "Geometry Optimization" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" -msgstr "" +msgstr "Electronic structure methods (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 -#, fuzzy msgid "Molecular Mechanics" -msgstr "&Molecular Mechanics" +msgstr "Molecular Mechanics" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" -msgstr "" +msgstr "Hybrid quantum classical (Not yet supported)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" -msgstr "" +msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:719 msgid "NONE" -msgstr "" +msgstr "NONE" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1291 msgid "PME" -msgstr "" +msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" -msgstr "" +msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" -msgstr "" +msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" -msgstr "" +msgstr "CORE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" -msgstr "" +msgstr "DENSITIES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" -msgstr "" +msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" -msgstr "" +msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" -msgstr "" +msgstr "RANDOM" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" -msgstr "" +msgstr "RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" -msgstr "" +msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" -msgstr "" +msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 -#, fuzzy msgid "Conjugate Gradients" msgstr "Conjugate Gradients" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" -msgstr "" +msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 -#, fuzzy msgid "Steepest descent" -msgstr "Steepest Descent" +msgstr "Steepest descent" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 @@ -2602,129 +2597,128 @@ msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" +"The input file has been modified. Would you like to overwrite your changes " +"to reflect the new geometry or job options?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "Overwrite modified input file?" -msgstr "" +msgstr "Overwrite modified input file?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:948 msgid "Save CP2K input file" -msgstr "" +msgstr "Save CP2K input file" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:997 msgid "Submit CP2K Calculation" -msgstr "" +msgstr "Submit CP2K Calculation" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" -msgstr "" +msgstr "I&mport Crystal from Clipboard…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" -msgstr "" +msgstr "Toggle Unit Cell" #: qtplugins/crystal/crystal.cpp:52 -#, fuzzy msgid "Edit Unit Cell…" -msgstr "Fill Unit Cell" +msgstr "Edit Unit Cell…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" -msgstr "" +msgstr "&Wrap Atoms to Unit Cell" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" -msgstr "" +msgstr "Rotate to Standard &Orientation" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" -msgstr "" +msgstr "Scale Cell &Volume…" #: qtplugins/crystal/crystal.cpp:74 -#, fuzzy msgid "Build &Supercell…" -msgstr "Super Cell" +msgstr "Build &Supercell…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" -msgstr "" +msgstr "Reduce Cell (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" -msgstr "" +msgstr "&Crystal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" -msgstr "" +msgstr "Remove &Unit Cell" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" -msgstr "" +msgstr "Add &Unit Cell" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" -msgstr "" +msgstr "I&mport Crystal from Clipboard" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." -msgstr "" +msgstr "Wrap atoms into the unit cell." #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." -msgstr "" +msgstr "Rotate the unit cell to the standard orientation." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" -msgstr "" +msgstr "Niggli Reduce Crystal" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." -msgstr "" +msgstr "The unit cell is already reduced." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" -msgstr "" +msgstr "Crystal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." -msgstr "" +msgstr "Tools for crystal-specific editing/analysis." #: qtplugins/crystal/crystalscene.cpp:138 -#, fuzzy msgid "Line color:" -msgstr "Amino Colours" +msgstr "Line colour:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." -msgstr "" +msgstr "Render the unit cell boundaries." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" -msgstr "" +msgstr "Cannot Parse Text" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." -msgstr "" +msgstr "Failed to read the data with the supplied format." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." -msgstr "" +msgstr "No unit cell present." #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" -msgstr "" +msgstr "Reassign &Custom Elements…" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." -msgstr "" +msgstr "Manipulate custom element types in the current molecule." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" -msgstr "" +msgstr "Custom Elements" #: qtplugins/editor/editor.cpp:71 qtplugins/editor/editor.cpp:110 msgid "Draw" @@ -2737,6 +2731,10 @@ msgid "" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" +"Draw Tool\n" +"\n" +"Left Mouse: \tClick and Drag to create Atoms and Bond\n" +"Right Mouse: \tDelete Atom" #: qtplugins/editor/editor.cpp:104 msgid "Draw Atom" @@ -2744,32 +2742,29 @@ msgstr "Draw Atom" #: qtplugins/editor/editor.cpp:114 msgid "Change Bond Type" -msgstr "" +msgstr "Change Bond Type" #: qtplugins/editor/editor.cpp:127 msgid "Remove Bond" -msgstr "" +msgstr "Remove Bond" #: qtplugins/editor/editor.cpp:255 qtplugins/measuretool/measuretool.cpp:193 #: qtplugins/measuretool/measuretool.cpp:218 -#, fuzzy msgid "Distance:" -msgstr "Distance" +msgstr "Distance:" #: qtplugins/editor/editor.cpp:258 #, qt-format msgid "%1 %L2" -msgstr "" +msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" -msgstr "" +msgstr "Editor tool" #: qtplugins/editor/editortoolwidget.cpp:129 -#, fuzzy -#| msgid "Other" msgid "Other…" -msgstr "Other" +msgstr "Other…" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) @@ -2777,7 +2772,7 @@ msgstr "Other" #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" -msgstr "" +msgstr "Automatic" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" @@ -2798,18 +2793,17 @@ msgid "&Import" msgstr "&Import" #: qtplugins/fetchpdb/fetchpdb.cpp:61 -#, fuzzy msgid "Fetch PDB" -msgstr "Fetch from PDB..." +msgstr "Fetch PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" -msgstr "" +msgstr "Could not read the PDB molecule: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:80 msgid "PDB Code" -msgstr "" +msgstr "PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:81 #: qtplugins/networkdatabases/networkdatabases.cpp:76 @@ -2820,7 +2814,7 @@ msgstr "Chemical structure to download." #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" -msgstr "" +msgstr "Querying for %1" #: qtplugins/fetchpdb/fetchpdb.cpp:104 qtplugins/fetchpdb/fetchpdb.cpp:122 #: qtplugins/networkdatabases/networkdatabases.cpp:99 @@ -2840,76 +2834,62 @@ msgid "Specified molecule could not be found: %1" msgstr "Specified molecule could not be found: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 -#, fuzzy msgid "Fetch from PDB" -msgstr "Fetch from PDB..." +msgstr "Fetch from PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" -msgstr "" +msgstr "Download PDB models from the Protein Data Bank" #: qtplugins/focus/focus.cpp:22 -#, fuzzy -#| msgid "Selection" msgid "Focus Selection" -msgstr "Selection" +msgstr "Focus Selection" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" -msgstr "" +msgstr "Unfocus" #: qtplugins/focus/focus.h:27 msgid "Focus" -msgstr "" +msgstr "Focus" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." -msgstr "" +msgstr "Focus the view on specific features." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." -msgstr "" +msgstr "Render the force field visualizations for the atoms of the molecule." #: qtplugins/forcefield/forcefield.cpp:75 -#, fuzzy -#| msgid "Optimization" msgid "Optimize" -msgstr "Optimisation" +msgstr "Optimize" #: qtplugins/forcefield/forcefield.cpp:91 -#, fuzzy msgid "Configure…" -msgstr "Setup Force Field..." +msgstr "Configure…" #: qtplugins/forcefield/forcefield.cpp:103 -#, fuzzy -#| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" -msgstr "Import Selected Atoms" +msgstr "Freeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:110 -#, fuzzy -#| msgid "Fix Selected Atoms" msgid "Unfreeze Selected Atoms" -msgstr "Fix Selected Atoms" +msgstr "Unfreeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:126 -#, fuzzy -#| msgid "Calculate" msgid "&Calculate" -msgstr "Calculate" +msgstr "&Calculate" #: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 -#, fuzzy msgid "Optimize Geometry" -msgstr "&Optimise Geometry" +msgstr "&Optimize Geometry" #: qtplugins/forcefield/forcefield.cpp:329 -#, fuzzy, qt-format -#| msgid "Energy = %L1 %2" +#, qt-format msgid "%1 Energy = %L2" -msgstr "Energy = %L1 %2" +msgstr "%1 Energy = %L2" #: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 @@ -2920,46 +2900,40 @@ msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.h:46 -#, fuzzy -#| msgid "Forcefield Optimization" msgid "Forcefield optimization" -msgstr "Forcefield Optimisation" +msgstr "Force field optimization" #: qtplugins/forcefield/forcefield.h:50 -#, fuzzy -#| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" -msgstr "Forcefield Optimisation" +msgstr "Force field minimization, including scripts" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" -msgstr "" +msgstr "Autodetect (%1)" #: qtplugins/forcefield/obmmenergy.cpp:77 -#, fuzzy -#| msgid "Force Field" msgid "Universal Force Field" -msgstr "Force Field" +msgstr "Universal Force Field" #: qtplugins/forcefield/obmmenergy.cpp:82 msgid "Generalized Amber Force Field" -msgstr "" +msgstr "Generalized Amber Force Field" #: qtplugins/forcefield/obmmenergy.cpp:96 msgid "Merck Molecular Force Field 94" -msgstr "" +msgstr "Merck Molecular Force Field 94" #: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" -msgstr "" +msgstr "Error retrieving metadata for energy script: %1" #: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" -msgstr "" +msgstr "Error parsing metadata for energy script: %1" #: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format @@ -2967,26 +2941,24 @@ msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 -#, fuzzy -#| msgid "GAMESS" msgid "&GAMESS…" -msgstr "GAMESS" +msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 -#, fuzzy msgid "GAMESS input" -msgstr "GAMESS Input" +msgstr "GAMESS input" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." -msgstr "" +msgstr "Generate input for GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:225 -#, fuzzy msgid "Single Point" -msgstr "Single Point Energy" +msgstr "Single Point" #: qtplugins/gamessinput/gamessinputdialog.cpp:228 msgid "Equilibrium Geometry" @@ -3046,38 +3018,35 @@ msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:656 msgid "Save GAMESS input file" -msgstr "" +msgstr "Save GAMESS input file" #: qtplugins/gamessinput/gamessinputdialog.cpp:706 msgid "Submit GAMESS Calculation" -msgstr "" +msgstr "Submit GAMESS Calculation" #: qtplugins/hydrogens/hydrogens.cpp:21 -#, fuzzy msgid "&Adjust Hydrogens" -msgstr "Adjust Hydrogens" +msgstr "&Adjust Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:64 msgid "Add Hydrogens" msgstr "Add Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:32 -#, fuzzy msgid "Remove E&xtra Hydrogens" -msgstr "Remove Hydrogens" +msgstr "Remove E&xtra Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" -msgstr "" +msgstr "&Remove All Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." -msgstr "" +msgstr "Add/remove hydrogens from the current molecule." #: qtplugins/hydrogens/hydrogens.cpp:59 -#, fuzzy msgid "&Hydrogens" -msgstr "Hydrogens" +msgstr "&Hydrogens" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" @@ -3085,19 +3054,19 @@ msgstr "Hydrogens" #: qtplugins/importpqr/importpqr.cpp:24 msgid "&Search PQR…" -msgstr "" +msgstr "&Search PQR…" #: qtplugins/importpqr/importpqr.h:34 msgid "Import From PQR" -msgstr "" +msgstr "Import From PQR" #: qtplugins/importpqr/importpqr.h:38 msgid "Download a molecule from PQR." -msgstr "" +msgstr "Download a molecule from PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" -msgstr "" +msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 @@ -3106,26 +3075,19 @@ msgid "&Insert" msgstr "&Insert" #: qtplugins/insertdna/insertdna.cpp:79 -#, fuzzy -#| msgid "&Insert" msgid "Insert DNA/RNA…" -msgstr "&Insert" +msgstr "Insert DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:160 -#, fuzzy -#| msgctxt "Ultra-Violet spectrum" -#| msgid "UV" msgctxt "uracil" msgid "U" -msgstr "UV" +msgstr "U" #: qtplugins/insertdna/insertdna.cpp:161 msgid "Uracil" -msgstr "" +msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:167 -#, fuzzy -#| msgid "T" msgctxt "thymine" msgid "T" msgstr "T" @@ -3134,67 +3096,59 @@ msgstr "T" #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:168:600 msgid "Thymine" -msgstr "" +msgstr "Thymine" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1021 -#, fuzzy -#| msgid "Molecule" msgid "Insert Molecule…" -msgstr "Molecule" +msgstr "Insert Molecule…" #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" -msgstr "" +msgstr "Generating 3D molecule…" #: qtplugins/insertdna/insertdna.h:33 -#, fuzzy -#| msgid "&Insert" msgid "InsertDNA" -msgstr "&Insert" +msgstr "Insert DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." -msgstr "" +msgstr "Insert DNA / RNA fragments through a dialog." #: qtplugins/insertfragment/insertfragment.cpp:32 -#, fuzzy -#| msgid "Fragment..." msgid "Fragment…" -msgstr "Fragment..." +msgstr "Fragment…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" -msgstr "" +msgstr "Crystal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." -msgstr "" +msgstr "Error reading file (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:342 msgid "Import Crystal" -msgstr "" +msgstr "Import Crystal" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:35 -#, fuzzy msgid "InsertFragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:60 -#, fuzzy msgid "Insert molecular fragments for building larger molecules." -msgstr "Insert molecular fragments for building larger molecules" +msgstr "Insert molecular fragments for building larger molecules." #: qtplugins/label/label.cpp:136 qtplugins/meshes/meshes.cpp:176 #: qtplugins/meshes/meshes.cpp:182 @@ -3202,9 +3156,8 @@ msgid "Color:" msgstr "Colour:" #: qtplugins/label/label.cpp:146 -#, fuzzy msgid "Distance from center:" -msgstr "Distance" +msgstr "Distance from center:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) @@ -3220,12 +3173,11 @@ msgstr "None" #: qtplugins/label/label.cpp:162 msgid "Index" -msgstr "" +msgstr "Index" #: qtplugins/label/label.cpp:163 -#, fuzzy msgid "In." -msgstr "In:" +msgstr "In." #: qtplugins/label/label.cpp:167 qtplugins/propertytables/propertymodel.cpp:386 #: qtplugins/symmetry/operationstablemodel.cpp:63 @@ -3234,55 +3186,49 @@ msgstr "Element" #: qtplugins/label/label.cpp:168 msgid "El." -msgstr "" +msgstr "El." #: qtplugins/label/label.cpp:172 -#, fuzzy msgid "Element & Number" -msgstr "Element name" +msgstr "Element & Number" #: qtplugins/label/label.cpp:173 msgid "El.&No." -msgstr "" +msgstr "El.&No." #: qtplugins/label/label.cpp:176 msgid ", " -msgstr "" +msgstr ", " #: qtplugins/label/label.cpp:187 -#, fuzzy msgid "Atom Label:" -msgstr "Atom Labels" +msgstr "Atom Label:" #: qtplugins/label/label.cpp:198 qtplugins/propertytables/propertymodel.cpp:431 -#, fuzzy msgid "ID" -msgstr "D" +msgstr "ID" #: qtplugins/label/label.cpp:202 #: qtplugins/plugindownloader/downloaderwidget.cpp:60 #: qtplugins/propertytables/propertymodel.cpp:429 msgid "Name" -msgstr "" +msgstr "Name" #: qtplugins/label/label.cpp:206 msgid " & " -msgstr "" +msgstr " & " #: qtplugins/label/label.cpp:218 -#, fuzzy msgid "Residue Label:" -msgstr "Residue name" +msgstr "Residue Label:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." -msgstr "" +msgstr "Display labels on ball-and-stick style." #: qtplugins/label/labeleditor.cpp:29 -#, fuzzy -#| msgid "Bond Labels" msgid "Edit Labels" -msgstr "Bond Labels" +msgstr "Edit Labels" #: qtplugins/label/labeleditor.cpp:32 msgid "" @@ -3290,71 +3236,70 @@ msgid "" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" +"Atom Label Tool\n" +"\n" +"Left Mouse: \tClick on Atoms to add Custom Labels" #: qtplugins/label/labeleditor.cpp:67 -#, fuzzy msgid "Create Label" -msgstr "Create Surfaces" +msgstr "Create Label" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" -msgstr "" +msgstr "Label editor tool" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" -msgstr "" +msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" -msgstr "" +msgstr "LAMMPS input" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." -msgstr "" +msgstr "Generate input for LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 -#, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Would you like to update the preview text, losing all changes made in the " -"Gaussian input deck preview pane?" +"Lammps input deck preview pane?" #: qtplugins/licorice/licorice.h:33 msgid "Render atoms as licorice / sticks." -msgstr "" +msgstr "Render atoms as licorice/sticks." #: qtplugins/lineformatinput/lineformatinput.cpp:31 -#, fuzzy msgid "SMILES…" -msgstr "SMILES..." +msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" -msgstr "" +msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 -#, fuzzy msgid "No descriptors found!" -msgstr "No Description" +msgstr "No descriptors found!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" -msgstr "" +msgstr "No line format readers found!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." -msgstr "" +msgstr "Unable to load requested format reader." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" -msgstr "" +msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." -msgstr "" +msgstr "Load single-line molecule descriptors through an input dialog." #: qtplugins/manipulator/manipulator.cpp:49 msgid "Manipulate" @@ -3367,11 +3312,15 @@ msgid "" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate selected atoms.\n" msgstr "" +"Manipulation Tool\n" +"\n" +"Left Mouse: \tClick and drag to move atoms\n" +"Right Mouse: \tClick and drag to rotate selected atoms.\n" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" -msgstr "" +msgstr "Manipulate tool" #: qtplugins/measuretool/measuretool.cpp:54 msgid "Measure" @@ -3387,6 +3336,13 @@ msgid "" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" +"Measure Tool\n" +"\n" +"Left Mouse: \tSelect up to four Atoms.\n" +"\tDistances are measured between 1-2 and 2-3\n" +"\tAngle is measured between 1-3 using 2 as the common point\n" +"\tDihedral is measured between 1-2-3-4\n" +"Right Mouse: \tReset the measurements." #: qtplugins/measuretool/measuretool.cpp:191 #: qtplugins/measuretool/measuretool.cpp:202 @@ -3398,15 +3354,13 @@ msgid "Angle:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.cpp:210 -#, fuzzy msgid "Angles:" -msgstr "Angle:" +msgstr "Angles:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 -#, fuzzy msgid "Measure tool" -msgstr "Measure" +msgstr "Measure tool" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) @@ -3416,24 +3370,22 @@ msgstr "Opacity:" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." -msgstr "" +msgstr "Render polygon meshes." #: qtplugins/molecularproperties/molecularproperties.cpp:21 -#, fuzzy msgid "&Molecular…" -msgstr "Molecular Orbital" +msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:33 msgid "View general properties of a molecule." -msgstr "" +msgstr "View general properties of a molecule." #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 #: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 -#, fuzzy msgid "&Analysis" -msgstr "Analytic" +msgstr "&Analysis" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 @@ -3449,38 +3401,33 @@ msgstr "Molecular Properties" #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:35 #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:206 -#, fuzzy msgid "&Copy" -msgstr "Copy All" +msgstr "&Copy" #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:88 msgctxt "asking server for molecule name" msgid "(pending)" -msgstr "" +msgstr "(pending)" #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:116 #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:124 #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:140 -#, fuzzy msgid "unknown molecule" -msgstr "No molecule set" +msgstr "unknown molecule" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 -#, fuzzy -#| msgid "Molecule Charge:" msgid "Molecule Name:" -msgstr "Molecule Charge:" +msgstr "Molecule Name:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1087 -#, fuzzy msgid "Molecular Mass (g/mol):" -msgstr "Molecular Weight (g/mol):" +msgstr "Molecular Mass (g/mol):" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) @@ -3515,16 +3462,23 @@ msgid "" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" +"Navigation Tool\n" +"\n" +"Left Mouse: \tClick and drag to rotate the view.\n" +"Middle Mouse: \tClick and drag to zoom in or out.\n" +"Right Mouse: \tClick and drag to move the view.\n" #: qtplugins/navigator/navigator.cpp:59 msgid "Reverse Direction of Zoom on Scroll" -msgstr "" +msgstr "Reverse Direction of Zoom on Scroll" #: qtplugins/navigator/navigator.cpp:61 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" +"Default:\t Scroll down to shrink, scroll up to zoom\n" +"Reversed:\t Scroll up to shrink, scroll down to zoom" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" @@ -3536,84 +3490,76 @@ msgstr "Chemical Name" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" -msgstr "" +msgstr "Network Databases" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." -msgstr "" +msgstr "Interact with online databases, query structures etc." #: qtplugins/noncovalent/noncovalent.cpp:340 -#, fuzzy -#| msgid "°" msgid " °" -msgstr "°" +msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 -#, fuzzy -#| msgid "Angle Properties" msgid "Angle tolerance:" -msgstr "Angle Properties" +msgstr "Angle tolerance:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." -msgstr "" +msgstr "Render a few non-covalent interactions." #: qtplugins/noncovalent/noncovalent.h:53 -#, fuzzy -#| msgid "Hydrogen" msgid "Halogen" -msgstr "Hydrogen" +msgstr "Halogen" #: qtplugins/noncovalent/noncovalent.h:53 msgid "Chalcogen" -msgstr "" +msgstr "Chalcogen" #: qtplugins/openbabel/openbabel.cpp:52 -#, fuzzy msgid "Configure Force Field…" -msgstr "Setup Force Field..." +msgstr "Configure Force Field…" #: qtplugins/openbabel/openbabel.cpp:58 -#, fuzzy msgid "Perceive Bonds" -msgstr "Perceive bonds?" +msgstr "Perceive Bonds" #: qtplugins/openbabel/openbabel.cpp:70 -#, fuzzy msgid "Add Hydrogens for pH…" -msgstr "Add Hydrogens for pH" +msgstr "Add Hydrogens for pH…" #: qtplugins/openbabel/openbabel.cpp:76 -#, fuzzy msgid "Remove Hydrogens" msgstr "Remove Hydrogens" #: qtplugins/openbabel/openbabel.cpp:107 msgid "&Open Babel" -msgstr "" +msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:114 msgid "The Open Babel file formats are not ready to be added." -msgstr "" +msgstr "The Open Babel file formats are not ready to be added." #: qtplugins/openbabel/openbabel.cpp:199 msgid "Loading molecule from Open Babel…" -msgstr "" +msgstr "Loading molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:205 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" +"An internal error occurred: OpenBabel::readMolecule called, but no obabel " +"output is available to parse!" #: qtplugins/openbabel/openbabel.cpp:214 #, qt-format msgid "An error occurred while running Open Babel (%1)." -msgstr "" +msgstr "An error occurred while running Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:224 msgid "Error parsing openbabel output." -msgstr "" +msgstr "Error parsing openbabel output." #: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format @@ -3621,35 +3567,38 @@ msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" +"An error occurred while retrieving the list of supported force fields. (" +"using '%1')." #: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." -msgstr "" +msgstr "Molecule invalid. Cannot optimize geometry." #: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." -msgstr "" +msgstr "Cannot optimize geometry with Open Babel." #: qtplugins/openbabel/openbabel.cpp:432 -#, fuzzy msgid "Optimizing Geometry (Open Babel)" -msgstr "&Optimise Geometry" +msgstr "Optimizing Geometry (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" -msgstr "" +msgstr "Generating MDL…" #: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" +"An internal error occurred while generating an Open Babel representation of " +"the current molecule." #: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" -msgstr "" +msgstr "Starting %1…" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format @@ -3658,16 +3607,18 @@ msgid "" "Current energy: %3\n" "dE: %4" msgstr "" +"Step %1 of %2\n" +"Current energy: %3\n" +"dE: %4" #: qtplugins/openbabel/openbabel.cpp:494 -#, fuzzy msgid "Updating molecule…" -msgstr "No molecule set" +msgstr "Updating molecule…" #: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 #: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." -msgstr "" +msgstr "Error interpreting Open Babel output." #: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format @@ -3675,125 +3626,123 @@ msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" +"Number of atoms in obabel output (%1) does not match the number of atoms in " +"the original molecule (%2)." #: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." -msgstr "" +msgstr "Cannot open file with Open Babel." #: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." -msgstr "" +msgstr "Invalid molecule: Cannot perceive bonds." #: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" -msgstr "" +msgstr "Perceiving Bonds (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" -msgstr "" +msgstr "Generating XYZ representation…" #: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." -msgstr "" +msgstr "Error generating XYZ string." #: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" -msgstr "" +msgstr "Converting XYZ to Open Babel with %1…" #: qtplugins/openbabel/openbabel.cpp:575 -#, fuzzy msgid "Updating molecule from Open Babel…" -msgstr "No molecule set" +msgstr "Updating molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." -msgstr "" +msgstr "Cannot add hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 -#, fuzzy msgid "Adding Hydrogens (Open Babel)" -msgstr "Add Hydrogens" +msgstr "Adding Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" -msgstr "" +msgstr "Generating Open Babel input…" #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." -msgstr "" +msgstr "Error generating Open Babel input." #: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 #: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" -msgstr "" +msgstr "Running %1…" #: qtplugins/openbabel/openbabel.cpp:676 -#, fuzzy msgid "Add hydrogens for pH" -msgstr "Add Hydrogens for pH" +msgstr "Add hydrogens for pH" #: qtplugins/openbabel/openbabel.cpp:676 -#, fuzzy msgid "pH:" -msgstr "pH" +msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" -msgstr "" +msgstr "Generating obabel input…" #: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." -msgstr "" +msgstr "Cannot remove hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:724 -#, fuzzy msgid "Removing Hydrogens (Open Babel)" -msgstr "Remove Hydrogens" +msgstr "Removing Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." -msgstr "" +msgstr "Error generating Open Babel data." #: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" -msgstr "" +msgstr "Reading obabel output…" #: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" +"Already running Open Babel. Wait for the other operation to complete and try " +"again." #: qtplugins/openbabel/openbabel.h:36 msgid "OpenBabel" -msgstr "" +msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:40 msgid "Interact with OpenBabel utilities." -msgstr "" +msgstr "Interact with OpenBabel utilities." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" -msgstr "" +msgstr "&OpenMM Script…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" -msgstr "" +msgstr "OpenMM input" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." -msgstr "" +msgstr "Generate input for OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 -#, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Would you like to update the preview text, losing all changes made in the " -"MOPAC input deck preview pane?" +"OpenMM input deck preview pane?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 @@ -3801,7 +3750,7 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" -msgstr "" +msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 @@ -3809,32 +3758,32 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" -msgstr "" +msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1201 msgid "input.prmtop" -msgstr "" +msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" -msgstr "" +msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" -msgstr "" +msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" -msgstr "" +msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" -msgstr "" +msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) @@ -3845,7 +3794,7 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1318 rc.cpp:1333 msgid "True" -msgstr "" +msgstr "True" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" @@ -3853,25 +3802,23 @@ msgstr "Reference Axes" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" -msgstr "" +msgstr "Reference Axes Overlay" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." -msgstr "" +msgstr "Render reference axes in the corner of the display." #: qtplugins/playertool/playertool.cpp:52 msgid "Player" -msgstr "" +msgstr "Player" #: qtplugins/playertool/playertool.cpp:54 -#, fuzzy -#| msgid "Animation" msgid "Animation Tool" -msgstr "Animation" +msgstr "Animation Tool" #: qtplugins/playertool/playertool.cpp:69 msgid "Play" -msgstr "" +msgstr "Play" #: qtplugins/playertool/playertool.cpp:72 msgid "Stop" @@ -3879,272 +3826,259 @@ msgstr "Stop" #: qtplugins/playertool/playertool.cpp:83 msgid "Frame rate:" -msgstr "" +msgstr "Frame rate:" #: qtplugins/playertool/playertool.cpp:89 msgctxt "frames per second" msgid " FPS" -msgstr "" +msgstr " FPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:113:1678 -#, fuzzy msgid "Frame:" -msgstr "Parameters:" +msgstr "Frame:" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 #: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" -msgstr "" +msgstr " of %0" #: qtplugins/playertool/playertool.cpp:131 -#, fuzzy msgid "Dynamic bonding?" -msgstr "Dynamic Bonds" +msgstr "Dynamic bonding?" #: qtplugins/playertool/playertool.cpp:139 msgid "Record Movie…" -msgstr "" +msgstr "Record Movie…" #: qtplugins/playertool/playertool.cpp:243 #: qtplugins/playertool/playertool.cpp:348 msgid "Movie (*.mp4)" -msgstr "" +msgstr "Movie (*.mp4)" #: qtplugins/playertool/playertool.cpp:245 msgid "Export Bitmap Graphics" -msgstr "" +msgstr "Export Bitmap Graphics" #: qtplugins/playertool/playertool.cpp:246 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" -msgstr "" +msgstr "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" -msgstr "" +msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:266 msgid "GIF FPS support warning" -msgstr "" +msgstr "GIF FPS support warning" #: qtplugins/playertool/playertool.cpp:267 msgid "The GIF file format does not support frame rates over 100 FPS." -msgstr "" +msgstr "The GIF file format does not support frame rates over 100 FPS." #: qtplugins/playertool/playertool.cpp:312 -#, fuzzy msgid "Movie (*.avi)" -msgstr "video files (*.avi)" +msgstr "Movie (*.avi)" #: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." -msgstr "" +msgstr "Error: cannot add frame to video." #: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." -msgstr "" +msgstr "Cannot save file %1." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" -msgstr "" +msgstr "Player tool" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" -msgstr "" +msgstr "Play back trajectories" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" -msgstr "" +msgstr "Plot Pair Distribution Function…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" -msgstr "" +msgstr "Failed to generate PDF pattern" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " -msgstr "" +msgstr "Error message: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" -msgstr "" +msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." -msgstr "" +msgstr "Generate and plot a Pair Distribution Function curve." #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" -msgstr "" +msgstr "Plot RMSD curve…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" -msgstr "" +msgstr "PlotRmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." -msgstr "" +msgstr "Generate and plot an RMSD curve." #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" -msgstr "" +msgstr "Plot Theoretical XRD Pattern…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" -msgstr "" +msgstr "Failed to generate XRD pattern" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." -msgstr "" +msgstr "Failed to convert molecule to CIF format." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" -msgstr "" +msgstr "Data read from genXrdPattern appears to be corrupt!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" -msgstr "" +msgstr "Error: could not find genXrdPattern executable!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " -msgstr "" +msgstr "Error: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" -msgstr "" +msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." -msgstr "" +msgstr "Generate and plot a theoretical XRD pattern using ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:60 msgid "Update" -msgstr "" +msgstr "Update" #: qtplugins/plugindownloader/downloaderwidget.cpp:60 msgid "Version" -msgstr "" +msgstr "Version" #: qtplugins/plugindownloader/downloaderwidget.cpp:61 msgid "Description" -msgstr "" +msgstr "Description" #: qtplugins/plugindownloader/downloaderwidget.cpp:321 #, qt-format msgid "Downloading %1 to %2\n" -msgstr "" +msgstr "Downloading %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:334 #, qt-format msgid "Extracting %1 to %2\n" -msgstr "" +msgstr "Extracting %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:337 #, qt-format msgid "Finished %1 files\n" -msgstr "" +msgstr "Finished %1 files\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:341 msgid "Extraction successful\n" -msgstr "" +msgstr "Extraction successful\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:371 #, qt-format msgid "Error while extracting: %1" -msgstr "" +msgstr "Error while extracting: %1" #: qtplugins/plugindownloader/plugindownloader.cpp:27 msgid "Download Plugins…" -msgstr "" +msgstr "Download Plugins…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" -msgstr "" +msgstr "Download Plugins" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." -msgstr "" +msgstr "Download plugins from GitHub repositories." #: qtplugins/ply/ply.cpp:29 -#, fuzzy msgid "PLY Render…" -msgstr "POV-Ray" +msgstr "PLY Render…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 -#, fuzzy msgid "Save File" -msgstr "Save Video File" +msgstr "Save File" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" -msgstr "" +msgstr "PLY (*.ply);;Text file (*.txt)" #: qtplugins/ply/ply.h:25 -#, fuzzy -#| msgid "B2PLYP" msgid "PLY" -msgstr "B2PLYP" +msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." -msgstr "" +msgstr "Render the scene using PLY." #: qtplugins/povray/povray.cpp:29 -#, fuzzy msgid "POV-Ray Render…" -msgstr "POV-Ray" +msgstr "POV-Ray Render…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" -msgstr "" +msgstr "POV-Ray (*.pov);;Text file (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" -msgstr "" +msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." -msgstr "" +msgstr "Render the scene using POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:388 msgid "Valence" msgstr "Valence" #: qtplugins/propertytables/propertymodel.cpp:390 -#, fuzzy -#| msgid "Partial Charge" msgid "Formal Charge" -msgstr "Partial Charge" +msgstr "Formal Charge" #: qtplugins/propertytables/propertymodel.cpp:392 -#, fuzzy -#| msgid "Partial charge" msgid "Partial Charge" -msgstr "Partial charge" +msgstr "Partial Charge" #: qtplugins/propertytables/propertymodel.cpp:394 msgid "X (Å)" -msgstr "" +msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:396 msgid "Y (Å)" -msgstr "" +msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:398 msgid "Z (Å)" -msgstr "" +msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:400 #: qtplugins/propertytables/propertymodel.cpp:439 -#, fuzzy msgid "Color" -msgstr "Colour:" +msgstr "Colour" #: qtplugins/propertytables/propertymodel.cpp:403 msgid "Atom" @@ -4162,40 +4096,34 @@ msgid "Start Atom" msgstr "Start Atom" #: qtplugins/propertytables/propertymodel.cpp:414 -#, fuzzy msgid "End Atom" msgstr "End Atom" #: qtplugins/propertytables/propertymodel.cpp:416 -#, fuzzy msgid "Bond Order" -msgstr "Bond Order:" +msgstr "Bond Order" #: qtplugins/propertytables/propertymodel.cpp:418 -#, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" -msgstr "Length %1" +msgstr "Length (Å)" #: qtplugins/propertytables/propertymodel.cpp:433 msgid "Chain" -msgstr "" +msgstr "Chain" #: qtplugins/propertytables/propertymodel.cpp:435 -#, fuzzy msgid "Secondary Structure" -msgstr "Structure:" +msgstr "Secondary Structure" #: qtplugins/propertytables/propertymodel.cpp:437 -#, fuzzy msgid "Heterogen" -msgstr "Hydrogen" +msgstr "Heterogen" #: qtplugins/propertytables/propertymodel.cpp:451 #: qtplugins/propertytables/propertymodel.cpp:468 -#, fuzzy msgid "Atom 1" -msgstr "Atom %1" +msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:453 msgid "Vertex" @@ -4203,117 +4131,95 @@ msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:455 #: qtplugins/propertytables/propertymodel.cpp:472 -#, fuzzy msgid "Atom 3" -msgstr "Atom" +msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:457 #: qtplugins/propertytables/propertymodel.cpp:476 -#, fuzzy msgid "Angle (°)" -msgstr "Angle: %L1 °" +msgstr "Angle (°)" #: qtplugins/propertytables/propertymodel.cpp:470 -#, fuzzy msgid "Atom 2" -msgstr "Atom" +msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:474 -#, fuzzy msgid "Atom 4" -msgstr "Atom" +msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:664 -#, fuzzy -#| msgid "Insert Fragment" msgid "Adjust Fragment" -msgstr "Insert Fragment" +msgstr "Adjust Fragment" #: qtplugins/propertytables/propertymodel.cpp:790 -#, fuzzy msgctxt "pi helix" msgid "π Helix" -msgstr "Helix" +msgstr "π-Helix" #: qtplugins/propertytables/propertymodel.cpp:792 msgctxt "protein bend secondary structure" msgid "Bend" -msgstr "" +msgstr "Bend" #: qtplugins/propertytables/propertymodel.cpp:794 -#, fuzzy msgctxt "alpha helix" msgid "α Helix" -msgstr "Helix" +msgstr "α-Helix" #: qtplugins/propertytables/propertymodel.cpp:796 -#, fuzzy msgctxt "beta sheet" msgid "β Sheet" -msgstr "Sheet" +msgstr "β-Sheet" #: qtplugins/propertytables/propertymodel.cpp:798 -#, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" -msgstr "3-10 Helix" +msgstr "3-10 helix" #: qtplugins/propertytables/propertymodel.cpp:800 msgctxt "beta bridge" msgid "β Bridge" -msgstr "" +msgstr "β-Bridge" #: qtplugins/propertytables/propertymodel.cpp:802 msgctxt "protein turn secondary structure" msgid "Turn" -msgstr "" +msgstr "Turn" #: qtplugins/propertytables/propertymodel.cpp:804 msgctxt "protein coil secondary structure" msgid "Coil" -msgstr "" +msgstr "Coil" #: qtplugins/propertytables/propertytables.cpp:27 -#, fuzzy -#| msgid "Atom Properties" msgid "Atom Properties…" -msgstr "Atom Properties" +msgstr "Atom Properties…" #: qtplugins/propertytables/propertytables.cpp:34 -#, fuzzy -#| msgid "Bond Properties" msgid "Bond Properties…" -msgstr "Bond Properties" +msgstr "Bond Properties…" #: qtplugins/propertytables/propertytables.cpp:41 -#, fuzzy -#| msgid "Angle Properties" msgid "Angle Properties…" -msgstr "Angle Properties" +msgstr "Angle Properties…" #: qtplugins/propertytables/propertytables.cpp:48 -#, fuzzy -#| msgid "Torsion Properties" msgid "Torsion Properties…" -msgstr "Torsion Properties" +msgstr "Torsion Properties…" #: qtplugins/propertytables/propertytables.cpp:55 -#, fuzzy msgid "Residue Properties…" -msgstr "Molecule Properties" +msgstr "Residue Properties…" #: qtplugins/propertytables/propertytables.cpp:67 -#, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" -"Windows for displaying atom, bond, angle and torsion properties. It also " -"includes a Cartesian coordinate editor." +"Tables for displaying and editng atom, bond, angle, and torsion properties." #: qtplugins/propertytables/propertytables.h:29 -#, fuzzy msgid "PropertyTables" -msgstr "Properties" +msgstr "PropertyTables" #: qtplugins/propertytables/propertyview.cpp:31 msgid "Atom Properties" @@ -4336,9 +4242,8 @@ msgid "Conformer Properties" msgstr "Conformer Properties" #: qtplugins/propertytables/propertyview.cpp:46 -#, fuzzy msgid "Residue Properties" -msgstr "Molecule Properties" +msgstr "Residue Properties" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Molecule Properties" @@ -4347,218 +4252,191 @@ msgstr "Molecule Properties" #: qtplugins/qtaim/qtaimengine.h:26 qtplugins/qtaim/qtaimextension.cpp:77 #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM" -msgstr "" +msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:30 msgid "Renders primitives using QTAIM properties" -msgstr "" +msgstr "Renders primitives using QTAIM properties" #: qtplugins/qtaim/qtaimextension.cpp:46 -#, fuzzy msgid "Molecular Graph…" -msgstr "Molecular Orbital" +msgstr "Molecular Graph…" #: qtplugins/qtaim/qtaimextension.cpp:53 msgid "Molecular Graph with Lone Pairs…" -msgstr "" +msgstr "Molecular Graph with Lone Pairs…" #: qtplugins/qtaim/qtaimextension.cpp:60 -#, fuzzy msgid "Atomic Charge…" -msgstr "Formal charge" +msgstr "Atomic Charge…" #: qtplugins/qtaim/qtaimextension.cpp:109 msgid "Open WFN File" -msgstr "" +msgstr "Open WFN File" #: qtplugins/qtaim/qtaimextension.cpp:110 msgid "WFN files (*.wfn);;All files (*.*)" -msgstr "" +msgstr "WFN files (*.wfn);;All files (*.*)" #: qtplugins/qtaim/qtaimextension.h:24 msgid "QTAIM extension" -msgstr "" +msgstr "QTAIM extension" #: qtplugins/quantuminput/quantuminput.cpp:179 msgid "" "Select the python interpreter used to run input generator scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" +"Select the Python interpreter used to run input generator scripts.\n" +"Avogadro must be restarted for any changes to take effect." #: qtplugins/quantuminput/quantuminput.cpp:230 msgid "Set Python Path…" -msgstr "" +msgstr "Set Python Path…" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" -msgstr "" +msgstr "Quantum input" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." -msgstr "" +msgstr "Generate input for quantum codes." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" -msgstr "" +msgstr "Centre" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" -msgstr "" +msgstr "Align View to Axes" #: qtplugins/resetview/resetview.cpp:52 -#, fuzzy -#| msgid "Align Settings" msgid "Align view to axes." -msgstr "Align Settings" +msgstr "Align view to axes." #: qtplugins/resetview/resetview.h:26 -#, fuzzy msgid "Reset view" -msgstr "Reset" +msgstr "Reset view" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." -msgstr "" +msgstr "Manipulate the view camera." #: qtplugins/scriptcharges/scriptcharges.h:32 -#, fuzzy -#| msgid "Charge:" msgid "Script Charge Models" -msgstr "Charge:" +msgstr "Script Charge Models" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." -msgstr "" +msgstr "Load electrostatic models from external scripts." #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" -msgstr "" +msgstr "Script File Formats" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." -msgstr "" +msgstr "Load file reader/writers from external scripts." #: qtplugins/select/select.cpp:31 msgid "Select All" -msgstr "" +msgstr "Select All" #: qtplugins/select/select.cpp:37 msgid "Select None" -msgstr "" +msgstr "Select None" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:516 msgid "Invert Selection" -msgstr "" +msgstr "Invert Selection" #: qtplugins/select/select.cpp:53 -#, fuzzy -#| msgid "Color by Element" msgid "Select by Element…" -msgstr "Colour by Element" +msgstr "Select by Element…" #: qtplugins/select/select.cpp:58 -#, fuzzy msgid "Select by Atom Index…" -msgstr "Atom Indices" +msgstr "Select by Atom Index…" #: qtplugins/select/select.cpp:63 -#, fuzzy -#| msgid "Select by Residue..." msgid "Select by Residue…" -msgstr "Select by Residue..." +msgstr "Select by Residue…" #: qtplugins/select/select.cpp:68 -#, fuzzy msgid "Select Backbone Atoms…" -msgstr "Atom Indices" +msgstr "Select Backbone Atoms…" #: qtplugins/select/select.cpp:73 -#, fuzzy msgid "Select Sidechain Atoms…" -msgstr "Atom Indices" +msgstr "Select Sidechain Atoms…" #: qtplugins/select/select.cpp:78 -#, fuzzy msgid "Select Water…" -msgstr "Atom Indices" +msgstr "Select Water…" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:352 -#, fuzzy -#| msgid "Ignore Selection" msgid "Enlarge Selection" -msgstr "Ignore Selection" +msgstr "Enlarge Selection" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:387 -#, fuzzy -#| msgid "Selection" msgid "Shrink Selection" -msgstr "Selection" +msgstr "Shrink Selection" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" -msgstr "" +msgstr "Create New Layer from Selection" #: qtplugins/select/select.cpp:117 msgid "Change selections" -msgstr "" +msgstr "Change selections" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Select" #: qtplugins/select/select.cpp:180 -#, fuzzy -#| msgid "Color by Element" msgid "Select Element" -msgstr "Colour by Element" +msgstr "Select Element" #: qtplugins/select/select.cpp:216 -#, fuzzy msgid "Select Water" -msgstr "Atom Indices" +msgstr "Select Water" #: qtplugins/select/select.cpp:254 -#, fuzzy msgid "Select Backbone" -msgstr "Atom Indices" +msgstr "Select Backbone" #: qtplugins/select/select.cpp:288 -#, fuzzy msgid "Select Sidechain" -msgstr "Atom Indices" +msgstr "Select Sidechain" #: qtplugins/select/select.cpp:409 msgid "Select Atoms by Index" -msgstr "" +msgstr "Select Atoms by Index" #: qtplugins/select/select.cpp:410 msgid "Atoms to Select:" -msgstr "" +msgstr "Atoms to Select:" #: qtplugins/select/select.cpp:415 -#, fuzzy -#| msgid "Delete Atom" msgid "Select Atom" -msgstr "Delete Atom" +msgstr "Select Atom" #: qtplugins/select/select.cpp:448 msgid "Select Atoms by Residue" -msgstr "" +msgstr "Select Atoms by Residue" #: qtplugins/select/select.cpp:449 msgid "Residues to Select:" -msgstr "" +msgstr "Residues to Select:" #: qtplugins/select/select.cpp:454 -#, fuzzy -#| msgid "Select by Residue..." msgid "Select Residue" -msgstr "Select by Residue..." +msgstr "Select Residue" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1717 -#, fuzzy msgid "Select" msgstr "&Select" @@ -4576,68 +4454,73 @@ msgid "" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" +"Selection Tool\n" +"\n" +"Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" +"\tDrag to select a range of atoms\n" +"Right Mouse: \tClick outside the molecule to clear selection\n" +"Use Ctrl to toggle the selection and shift to add to the selection.\n" +"Double-Click: \tSelect an entire fragment." #: qtplugins/selectiontool/selectiontool.cpp:238 -#, fuzzy msgid "Paint Atoms" -msgstr "Start Atom" +msgstr "Paint Atoms" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" -msgstr "" +msgstr "Selection tool" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 -#, fuzzy msgid "New Layer" -msgstr "Remove Hydrogens" +msgstr "New Layer" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" -msgstr "" +msgstr "Perceive Space Group…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1702 msgid "Symmetrize" -msgstr "" +msgstr "Symmetrise" #: qtplugins/spacegroup/spacegroup.cpp:73 -#, fuzzy -#| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" -msgstr "Fill Unit Cell" +msgstr "Fill Unit Cell…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:315 msgid "Reduce to Asymmetric Unit" -msgstr "" +msgstr "Reduce to Asymmetric Unit" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" -msgstr "" +msgstr "Set Tolerance…" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" -msgstr "" +msgstr "Space Group" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." -msgstr "" +msgstr "Fill symmetric atoms based on the crystal space group." #: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" -msgstr "" +msgstr "Failure" #: qtplugins/spacegroup/spacegroup.cpp:200 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" +"Space group perception failed.\n" +"Would you like to try again with a different tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" -msgstr "" +msgstr "Primitive Reduction" #: qtplugins/spacegroup/spacegroup.cpp:216 #: qtplugins/spacegroup/spacegroup.cpp:241 @@ -4647,104 +4530,108 @@ msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" +"The tolerance is currently set to: %1.\n" +"Proceed with this tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" +"Primitive reduction failed.\n" +"Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" +"Conventionalize cell failed.\n" +"Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" +"Symmetrization failed.\n" +"Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 -#, fuzzy msgid "Avogadro2" -msgstr "Avogadro" +msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" -msgstr "" +msgstr "Select tolerance in Å:" #: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" -msgstr "" +msgstr "International" #: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hall" -msgstr "" +msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hermann-Mauguin" -msgstr "" +msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:366 msgid "Select Space Group" -msgstr "" +msgstr "Select Space Group" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" -msgstr "" +msgstr "SpaceGroup" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." -msgstr "" +msgstr "Space group features for crystals." #: qtplugins/spectra/spectra.cpp:27 -#, fuzzy msgid "Vibrational Modes…" -msgstr "Vibrations" +msgstr "Vibrational Modes…" #: qtplugins/spectra/spectra.cpp:64 msgid "Show the vibrational modes dialog." -msgstr "" +msgstr "Show the vibrational modes dialog." #: qtplugins/spectra/spectra.cpp:65 -#, fuzzy msgid "Set the vibrational mode." -msgstr "Vibrations" +msgstr "Set the vibrational mode." #: qtplugins/spectra/spectra.cpp:67 msgid "Set the vibrational amplitude." -msgstr "" +msgstr "Set the vibrational amplitude." #: qtplugins/spectra/spectra.cpp:69 msgid "Start the vibrational animation." -msgstr "" +msgstr "Start the vibrational animation." #: qtplugins/spectra/spectra.cpp:71 msgid "Stop the vibrational animation." -msgstr "" +msgstr "Stop the vibrational animation." #: qtplugins/spectra/spectra.h:32 msgid "Spectra and Vibrations" -msgstr "" +msgstr "Spectra and Vibrations" #: qtplugins/spectra/spectra.h:36 msgid "Display spectra and vibrational modes." -msgstr "" +msgstr "Display spectra and vibrational modes." #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" -msgstr "" +msgstr "Solvent Accessible" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" -msgstr "" +msgstr "Solvent Excluded" #: qtplugins/surfaces/surfacedialog.cpp:162 -#, fuzzy msgid "Molecular Orbital" msgstr "Molecular Orbital" @@ -4753,104 +4640,89 @@ msgid "Electron Density" msgstr "Electron Density" #: qtplugins/surfaces/surfacedialog.cpp:172 -#, fuzzy -#| msgid "Intensity" msgid "Spin Density" -msgstr "Intensity" +msgstr "Spin Density" #: qtplugins/surfaces/surfacedialog.cpp:184 -#, fuzzy, qt-format +#, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:186 -#, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:188 -#, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" -msgstr "" +msgstr "From File" #: qtplugins/surfaces/surfaces.cpp:82 -#, fuzzy -#| msgid "Create Surfaces" msgid "Create Surfaces…" -msgstr "Create Surfaces" +msgstr "Create Surfaces…" #: qtplugins/surfaces/surfaces.cpp:110 -#, fuzzy -#| msgid "Renders atoms as Van der Waals spheres" msgid "Render the van der Waals surface." -msgstr "Renders atoms as Van der Waals spheres" +msgstr "Render the van der Waals surface." #: qtplugins/surfaces/surfaces.cpp:112 -#, fuzzy -#| msgid "Renders atoms as Van der Waals spheres" msgid "Render the van der Waals molecular surface." -msgstr "Renders atoms as Van der Waals spheres" +msgstr "Render the van der Waals molecular surface." #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the solvent-accessible molecular surface." -msgstr "" +msgstr "Render the solvent-accessible molecular surface." #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-excluded molecular surface." -msgstr "" +msgstr "Render the solvent-excluded molecular surface." #: qtplugins/surfaces/surfaces.cpp:117 qtplugins/surfaces/surfaces.cpp:118 -#, fuzzy msgid "Render a molecular orbital." -msgstr "Molecular Orbital" +msgstr "Render a molecular orbital." #: qtplugins/surfaces/surfaces.cpp:120 -#, fuzzy msgid "Render the electron density." -msgstr "Calculating Electron Density" +msgstr "Render the electron density." #: qtplugins/surfaces/surfaces.cpp:121 msgid "Render the spin density." -msgstr "" +msgstr "Render the spin density." #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render a cube supplied with the file." -msgstr "" +msgstr "Render a cube supplied with the file." #: qtplugins/surfaces/surfaces.cpp:571 -#, fuzzy msgid "Calculating electron density" -msgstr "Calculating Electron Density" +msgstr "Calculating electron density" #: qtplugins/surfaces/surfaces.cpp:580 -#, fuzzy msgid "Calculating spin density" -msgstr "Calculating Electron Density" +msgstr "Calculating spin density" #: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" -msgstr "" +msgstr "Calculating molecular orbital %L1" #: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" -msgstr "" +msgstr "Movie AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:837 -#, fuzzy msgid "Export Movie" -msgstr "E&xport Image" +msgstr "Export Movie" #: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" -msgstr "" +msgstr "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" @@ -4858,83 +4730,76 @@ msgstr "Surfaces" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." -msgstr "" +msgstr "Read and render surfaces." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" -msgstr "" +msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" -msgstr "" +msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" -msgstr "" +msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." -msgstr "" +msgstr "Render the scene in a SVG file." #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" -msgstr "" +msgstr "Class" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" -msgstr "" +msgstr "Symmetry…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/symmetry/symmetry.h:34:1687 msgid "Symmetry" -msgstr "" +msgstr "Symmetry" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." -msgstr "" +msgstr "Provide symmetry functionality." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." -msgstr "" +msgstr "Render symmetry elements." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" -msgstr "" +msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:340 -#, fuzzy, qt-format +#, qt-format msgid "Group %1" -msgstr "Group Name" +msgstr "Group %1" #: qtplugins/symmetry/symmetrywidget.cpp:348 #, qt-format msgid "%1 %2" -msgstr "" +msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 -#, fuzzy -#| msgid "Temperature:" msgid "Template" -msgstr "Temperature:" +msgstr "Template" #: qtplugins/templatetool/templatetool.cpp:294 -#, fuzzy -#| msgid "Insert Peptide" msgid "Insert Template" -msgstr "Insert Peptide" +msgstr "Insert Template" #: qtplugins/templatetool/templatetool.cpp:544 -#, fuzzy -#| msgid "Insert Peptide" msgid "Insert Ligand" -msgstr "Insert Peptide" +msgstr "Insert Ligand" #: qtplugins/templatetool/templatetool.h:34 #: qtplugins/templatetool/templatetool.h:35 -#, fuzzy msgid "Template tool" -msgstr "Measure" +msgstr "Template tool" #: qtplugins/templatetool/templatetoolwidget.cpp:288 msgid "Other..." @@ -4942,46 +4807,43 @@ msgstr "Other..." #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." -msgstr "" +msgstr "Simple display of VdW spheres." #: qtplugins/vanderwaalsao/vanderwaalsao.h:33 msgid "Simple display of VdW spheres with ambient occlusion." -msgstr "" +msgstr "Simple display of VdW spheres with ambient occlusion." #: qtplugins/vrml/vrml.cpp:29 -#, fuzzy msgid "VRML Render…" -msgstr "POV-Ray" +msgstr "VRML Render…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" -msgstr "" +msgstr "VRML (*.wrl);;Text file (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" -msgstr "" +msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." -msgstr "" +msgstr "Render the scene using VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." -msgstr "" +msgstr "Render the molecule as a wireframe." #: qtplugins/yaehmop/yaehmop.cpp:91 -#, fuzzy -#| msgid "Calculated Spectra:" msgid "Calculate Band Structure…" -msgstr "Calculated Spectra:" +msgstr "Calculate Band Structure…" #: qtplugins/yaehmop/yaehmop.cpp:112 msgid "&Yaehmop" -msgstr "" +msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:210 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" -msgstr "" +msgstr "Cannot calculate band structure: no unit cell!" #: qtplugins/yaehmop/yaehmop.cpp:300 #, qt-format @@ -4989,54 +4851,57 @@ msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" +"Yaehmop execution failed with the following error:\n" +"%1" #: qtplugins/yaehmop/yaehmop.cpp:310 msgid "Failed to read band structure output from Yaehmop!" -msgstr "" +msgstr "Failed to read band structure output from Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:322 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" +"Only one special k point was found in Yaehmop output! Two or more are " +"required!" #: qtplugins/yaehmop/yaehmop.cpp:368 #, qt-format msgid "Band %1" -msgstr "" +msgstr "Band %1" #: qtplugins/yaehmop/yaehmop.cpp:388 msgid "Fermi Level" -msgstr "" +msgstr "Fermi Level" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" -msgstr "" +msgstr "Cannot find Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:545 -#, fuzzy, qt-format -#| msgid "MOPAC failed to start." +#, qt-format msgid "Error: %1 failed to start" -msgstr "MOPAC failed to start." +msgstr "Error: %1 failed to start" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" -msgstr "" +msgstr "Yaehmop Input" #: qtplugins/yaehmop/yaehmop.h:39 msgid "Yaehmop" -msgstr "" +msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:88 msgid "Perform extended Hückel calculations with yaehmop." -msgstr "" +msgstr "Perform extended Hückel calculations with yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" -msgstr "" +msgstr "Dialogue" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) @@ -5058,12 +4923,12 @@ msgstr "Form" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" -msgstr "" +msgstr "Calculation Settings" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" -msgstr "" +msgstr "Placeholder text…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) @@ -5072,33 +4937,32 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" -msgstr "" +msgstr "Reset" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" -msgstr "" +msgstr "Debug Script…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" -msgstr "" +msgstr "Submit Calculation…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -#, fuzzy msgid "Save Input…" -msgstr "&Save Image..." +msgstr "Save Input…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" -msgstr "" +msgstr "Queue and Program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" -msgstr "" +msgstr "Refresh" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) @@ -5106,11 +4970,13 @@ msgid "" "

Number of processor cores to reserve for this job." msgstr "" +"

Number of processor cores to reserve for this " +"job.

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" -msgstr "" +msgstr "Processor cores:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) @@ -5119,11 +4985,14 @@ msgid "" "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" +"

Delete remote working files upon job completion. " +"Results will still be copied to the local MoleQueue job cache " +"first.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" -msgstr "" +msgstr "Delete remote files when finished:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) @@ -5131,11 +5000,13 @@ msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" +"

Check to prevent this job from showing up in the " +"MoleQueue GUI by default.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" -msgstr "" +msgstr "Hide job in MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) @@ -5143,51 +5014,53 @@ msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" +"

Show a system popup notification when the job's status " +"changes.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" -msgstr "" +msgstr "Show progress notifications:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" -msgstr "" +msgstr "Open output when finished:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" -msgstr "" +msgstr "Rename Elements" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" -msgstr "" +msgstr "3DMol HTML Snippet" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" -msgstr "" +msgstr "&Copy to Clipboard" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" -msgstr "" +msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" -msgstr "" +msgstr "Structure Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" -msgstr "" +msgstr "Generate Input From PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" -msgstr "" +msgstr "PDB File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) @@ -5204,62 +5077,62 @@ msgstr "Force Field:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" -msgstr "" +msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" -msgstr "" +msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" -msgstr "" +msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" -msgstr "" +msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" -msgstr "" +msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" -msgstr "" +msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" -msgstr "" +msgstr "Run PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" -msgstr "" +msgstr "Load Existing PQR File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" -msgstr "" +msgstr "PQR File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" -msgstr "" +msgstr "APBS Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" -msgstr "" +msgstr "Save Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" -msgstr "" +msgstr "Run APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) @@ -5268,89 +5141,83 @@ msgstr "Success!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) -#, fuzzy msgid "Load Structure File" -msgstr "Structure:" +msgstr "Load Structure File" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) -#, fuzzy msgid "Load Cube File" -msgstr "Load File..." +msgstr "Load Cube File" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) -#, fuzzy -#| msgid "Partial charge" msgid "Partial Charges" -msgstr "Partial charge" +msgstr "Partial Charges" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) -#, fuzzy -#| msgid "Charge:" msgid "Charge Model:" -msgstr "Charge:" +msgstr "Charge Model:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" -msgstr "" +msgstr "Distance Tolerance:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" -msgstr "" +msgstr "Minimum Distance:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" -msgstr "" +msgstr "Volume Rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" -msgstr "" +msgstr "Cube" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" -msgstr "" +msgstr "Enable volume rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" -msgstr "" +msgstr "Enable surface rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" -msgstr "" +msgstr "Isovalue" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Opacity" -msgstr "" +msgstr "Opacity" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" -msgstr "" +msgstr "Coordinate Editor" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" -msgstr "" +msgstr "Preset:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" -msgstr "" +msgstr "Distance Unit:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" -msgstr "" +msgstr "Ångstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) @@ -5388,21 +5255,41 @@ msgid "" "optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" - -#. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 -#. i18n: ectx: property (text), widget (QToolButton, help) -msgid "Help..." -msgstr "" - -#. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 -#. i18n: ectx: property (text), widget (QToolButton, paste) +"

Specification of format. Each character indicates a " +"value to write per atom:

# - " +"Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " +"carbon)
N - Element name (e.g. " +"\"Carbon\")
S - Element symbol (" +"e.g. \"C\" for carbon)
L - Atom " +"label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen)
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate (" +"crystals only)
b - 'b' lattice " +"coordinate (crystals only)
c - " +"'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful for optimization " +"flags
1 - A literal 1 (\"1\"), " +"useful for optimization flags

" + +#. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 +#. i18n: ectx: property (text), widget (QToolButton, help) +msgid "Help..." +msgstr "Help..." + +#. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 +#. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" -msgstr "" +msgstr "Paste" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" -msgstr "" +msgstr "Revert" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) @@ -5412,7 +5299,7 @@ msgstr "Apply" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" -msgstr "" +msgstr "CP2K Input" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) @@ -5433,14 +5320,14 @@ msgstr "Defaults" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation..." -msgstr "" +msgstr "Submit Calculation..." #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File..." -msgstr "" +msgstr "Save File..." #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) @@ -5465,7 +5352,7 @@ msgstr "Title:" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" -msgstr "" +msgstr "Filename Base:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) @@ -5474,7 +5361,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" -msgstr "" +msgstr "job" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) @@ -5491,97 +5378,97 @@ msgstr "Method:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" -msgstr "" +msgstr "Basis set:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" -msgstr "" +msgstr "Functional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" -msgstr "" +msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" -msgstr "" +msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" -msgstr "" +msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" -msgstr "" +msgstr "Poisson EWALD type" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" -msgstr "" +msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" -msgstr "" +msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" -msgstr "" +msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" -msgstr "" +msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" -msgstr "" +msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" -msgstr "" +msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" -msgstr "" +msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" -msgstr "" +msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" -msgstr "" +msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" -msgstr "" +msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" -msgstr "" +msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" -msgstr "" +msgstr "File extension for Open Babel conversion (default - Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" -msgstr "" +msgstr "Supercell Parameters" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) @@ -5606,7 +5493,7 @@ msgstr "C repeat:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" -msgstr "" +msgstr "Unit Cell Editor" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) @@ -5626,17 +5513,17 @@ msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" -msgstr "" +msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" -msgstr "" +msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" -msgstr "" +msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) @@ -5660,54 +5547,54 @@ msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" -msgstr "" +msgstr "Cell Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" -msgstr "" +msgstr "Fractional Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" -msgstr "" +msgstr "&Transform Atoms" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" -msgstr "" +msgstr "&Apply" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" -msgstr "" +msgstr "&Revert" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" -msgstr "" +msgstr "&Hide" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" -msgstr "" +msgstr "Scale Unit Cell Volume" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" -msgstr "" +msgstr "New &Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" -msgstr "" +msgstr "&Scaling Factor:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" -msgstr "" +msgstr "Current Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) @@ -5731,26 +5618,26 @@ msgstr "Bond Order:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" -msgstr "" +msgstr "Geometry Optimization Parameters" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" -msgstr "" +msgstr "Convergence Criteria" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" -msgstr "" +msgstr "Energy convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" -msgstr "" +msgstr "Step limit:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) @@ -5759,7 +5646,7 @@ msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" -msgstr "" +msgstr " units" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) @@ -5768,7 +5655,7 @@ msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" -msgstr "" +msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) @@ -5777,33 +5664,33 @@ msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" -msgstr "" +msgstr " steps" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" -msgstr "" +msgstr "Gradient convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" -msgstr "" +msgstr "Optimization Method" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" -msgstr "" +msgstr "Force field:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" -msgstr "" +msgstr "Autodetect" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) @@ -5833,12 +5720,12 @@ msgstr "Charge:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" -msgstr "" +msgstr "Import From PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" -msgstr "" +msgstr "Search" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) @@ -5848,140 +5735,118 @@ msgstr "name" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" -msgstr "" +msgstr "tag" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" -msgstr "" +msgstr "synonym" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" -msgstr "" +msgstr "formula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" -msgstr "" +msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " -msgstr "" +msgstr "Search By: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" -msgstr "" +msgstr "Formula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" -msgstr "" +msgstr "Download" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" -msgstr "" +msgstr "Name:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" -msgstr "" +msgstr "Insert Nucleic Acids" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" -msgstr "" +msgstr "DNA/RNA Builder" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) -#, fuzzy -#| msgid "N/A" msgid "DNA" -msgstr "N/A" +msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) -#, fuzzy -#| msgid "N/A" msgid "RNA" -msgstr "N/A" +msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) -#, fuzzy -#| msgid "Nucleus:" msgid "Nucleic Acids:" -msgstr "Nucleus:" +msgstr "Nucleic Acids:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) -#, fuzzy -#| msgid "Alanine" msgid "Adenine" -msgstr "Alanine" +msgstr "Adenine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) -#, fuzzy -#| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) -#, fuzzy -#| msgid "Tyrosine" msgid "Cytosine" -msgstr "Tyrosine" +msgstr "Cytosine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) -#, fuzzy -#| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) -#, fuzzy -#| msgid "Alanine" msgid "Guanine" -msgstr "Alanine" +msgstr "Guanine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) -#, fuzzy -#| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) -#, fuzzy -#| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) -#, fuzzy -#| msgid "Frequencies" msgid "Sequence:" -msgstr "Frequencies" +msgstr "Sequence:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" -msgstr "" +msgstr "the number of base pairs per helix turn" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) @@ -6002,33 +5867,27 @@ msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) -#, fuzzy -#| msgid "Other" msgid "Other" msgstr "Other" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" -msgstr "" +msgstr "Bases Per Turn:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" -msgstr "" +msgstr "Strands:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) -#, fuzzy -#| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Single" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) -#, fuzzy -#| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Double" @@ -6038,43 +5897,41 @@ msgstr "Double" #. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) msgid "Insert" -msgstr "" +msgstr "Insert" #. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -#, fuzzy -#| msgid "Insert Fragment" msgid "Insert Fragment…" -msgstr "Insert Fragment" +msgstr "Insert Fragment…" #. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" -msgstr "" +msgstr "Filter:" #. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." -msgstr "" +msgstr "Type a name or part of a name to show only matching files." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" -msgstr "" +msgstr "LAMMPS Input" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" -msgstr "" +msgstr "Input file comments" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." -msgstr "" +msgstr "Select the unit style to be used during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) @@ -6094,67 +5951,79 @@ msgid "" "#0057ae;\">http://lammps.sandia.gov/doc/units.html

" msgstr "" +"\n" +"\n" +"

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" -msgstr "" +msgstr "Units" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" -msgstr "" +msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" -msgstr "" +msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" -msgstr "" +msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" -msgstr "" +msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" -msgstr "" +msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" -msgstr "" +msgstr "electron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" -msgstr "" +msgstr "Water Potential" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" -msgstr "" +msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" -msgstr "" +msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." -msgstr "" +msgstr "Select atom_style used by the data file." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) @@ -6174,108 +6043,120 @@ msgid "" "color:#0057ae;\">http://lammps.sandia.gov/doc/atom_style.html" msgstr "" +"\n" +"\n" +"

http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" -msgstr "" +msgstr "Atom Style" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" -msgstr "" +msgstr "angle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" -msgstr "" +msgstr "atomic" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" -msgstr "" +msgstr "bond" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" -msgstr "" +msgstr "charge" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" -msgstr "" +msgstr "dipole" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" -msgstr "" +msgstr "ellipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" -msgstr "" +msgstr "full" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" -msgstr "" +msgstr "line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" -msgstr "" +msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" -msgstr "" +msgstr "molecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" -msgstr "" +msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" -msgstr "" +msgstr "sphere" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" -msgstr "" +msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" -msgstr "" +msgstr "wavepacket" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." -msgstr "" +msgstr "Specify the name to be used for the coordinate file." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" -msgstr "" +msgstr "Coordinate Data File" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" -msgstr "" +msgstr "Ensemble" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" -msgstr "" +msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" -msgstr "" +msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) @@ -6284,19 +6165,19 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" -msgstr "" +msgstr "Temperature" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." -msgstr "" +msgstr "Select the number of Nosé-Hoover chains in the NVT ensemble." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" -msgstr "" +msgstr "NH Chains" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) @@ -6309,40 +6190,41 @@ msgstr "" msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" +"Time step for the simulation in units according to \"Units\" specification." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" -msgstr "" +msgstr "Time Step" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." -msgstr "" +msgstr "Filename of the XYZ file to write during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" -msgstr "" +msgstr "Dump XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." -msgstr "" +msgstr "Number of dimensions in the system." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" -msgstr "" +msgstr "Dimensions" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." -msgstr "" +msgstr "Change Z boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) @@ -6351,7 +6233,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" -msgstr "" +msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) @@ -6360,7 +6242,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" -msgstr "" +msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) @@ -6369,7 +6251,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" -msgstr "" +msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) @@ -6378,7 +6260,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" -msgstr "" +msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) @@ -6387,7 +6269,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" -msgstr "" +msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) @@ -6396,161 +6278,161 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" -msgstr "" +msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." -msgstr "" +msgstr "Change Y boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." -msgstr "" +msgstr "Change X boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." -msgstr "" +msgstr "Select boundary Styles in X, Y and Z directions." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" -msgstr "" +msgstr "Boundary" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." -msgstr "" +msgstr "Number of replicants in X, Y and Z directions." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" -msgstr "" +msgstr "Replicate" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." -msgstr "" +msgstr "Replicate the X direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." -msgstr "" +msgstr "Replicate the Y direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." -msgstr "" +msgstr "Replicate the Z direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." -msgstr "" +msgstr "Total number of timesteps to run the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" -msgstr "" +msgstr "Total Steps" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" -msgstr "" +msgstr "Dump Interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." -msgstr "" +msgstr "Set the initial atom velocities for the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" -msgstr "" +msgstr "Initial Velocities" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." -msgstr "" +msgstr "Select the distribution of initial atom velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" -msgstr "" +msgstr "gaussian" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" -msgstr "" +msgstr "uniform" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." -msgstr "" +msgstr "Set the initial atom velocities to match this temperature." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." -msgstr "" +msgstr "Remove system linear momentum from initial velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" -msgstr "" +msgstr "Zero Linear Momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." -msgstr "" +msgstr "Remove system angular momentum from initial velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" -msgstr "" +msgstr "Zero Angular Momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." -msgstr "" +msgstr "Control the thermodynamic output during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" -msgstr "" +msgstr "Output" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" -msgstr "" +msgstr "Output Interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" -msgstr "" +msgstr "2D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" -msgstr "" +msgstr "3D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." -msgstr "" +msgstr "Thermodynamic output style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" -msgstr "" +msgstr "One Line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" -msgstr "" +msgstr "Multi Line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) @@ -6564,12 +6446,12 @@ msgstr "Use Form" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate..." -msgstr "" +msgstr "Generate..." #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" -msgstr "" +msgstr "Descriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) @@ -6584,42 +6466,37 @@ msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" -msgstr "" +msgstr "Translate by:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:159 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" -msgstr "" +msgstr "X-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:166 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" -msgstr "" +msgstr "Y-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:173 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" -msgstr "" +msgstr "Z-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_2) -#, fuzzy -#| msgid "Foreground:" msgid "Rotate around:" -msgstr "Foreground:" +msgstr "Rotate around:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) -#, fuzzy -#| msgid "Origin:" msgid "Origin" -msgstr "Origin:" +msgstr "Origin" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) -#, fuzzy msgid "Geometry" -msgstr "&Optimise Geometry" +msgstr "Geometry" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, moleculeNameLabel) @@ -6637,12 +6514,12 @@ msgstr "TODO" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" -msgstr "" +msgstr "Optimization algorithm:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" -msgstr "" +msgstr "Line search technique:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) @@ -6652,145 +6529,144 @@ msgstr "Steepest Descent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" -msgstr "" +msgstr "Conjugate Gradient" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" -msgstr "" +msgstr "Simple" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" -msgstr "" +msgstr "Newton's Method" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" -msgstr "" +msgstr "Limit Non-Bonded Interactions" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" -msgstr "" +msgstr "Van der Waals cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" -msgstr "" +msgstr "Pair update frequency:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" -msgstr "" +msgstr "electrostatic cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" -msgstr "" +msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" -msgstr "" +msgstr "\"Energy\" convergence:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" -msgstr "" +msgstr "OpenMM Script Builder" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" -msgstr "" +msgstr "Job script:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" -msgstr "" +msgstr "script" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" -msgstr "" +msgstr "Input Coords:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" -msgstr "" +msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" -msgstr "" +msgstr "Input Topology:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) -#, fuzzy msgid "Forcefield:" msgstr "Force Field:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" -msgstr "" +msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" -msgstr "" +msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" -msgstr "" +msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" -msgstr "" +msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" -msgstr "" +msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" -msgstr "" +msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" -msgstr "" +msgstr "Water Model:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" -msgstr "" +msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" -msgstr "" +msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" -msgstr "" +msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" -msgstr "" +msgstr "Implicit Solvent (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" -msgstr "" +msgstr "Platform:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) @@ -6800,110 +6676,107 @@ msgstr "Reference" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" -msgstr "" +msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" -msgstr "" +msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" -msgstr "" +msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" -msgstr "" +msgstr "Precision:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) -#, fuzzy msgid "single" -msgstr "Single" +msgstr "single" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" -msgstr "" +msgstr "mixed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) -#, fuzzy msgid "double" -msgstr "Double" +msgstr "double" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" -msgstr "" +msgstr "Device Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" -msgstr "" +msgstr "OpenCL Platform Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" -msgstr "" +msgstr "Nonbonded method:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" -msgstr "" +msgstr "NoCutoff" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" -msgstr "" +msgstr "CutoffNonPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" -msgstr "" +msgstr "CutoffPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" -msgstr "" +msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" -msgstr "" +msgstr "Ewald Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) -#, fuzzy msgid "Constraints:" -msgstr "Constraints" +msgstr "Constraints:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" -msgstr "" +msgstr "HBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" -msgstr "" +msgstr "AllBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" -msgstr "" +msgstr "HAngles" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" -msgstr "" +msgstr "Constraint Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" -msgstr "" +msgstr "Rigid water?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) @@ -6912,27 +6785,27 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" -msgstr "" +msgstr "False" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" -msgstr "" +msgstr "Nonbonded cutoff:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" -msgstr "" +msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" -msgstr "" +msgstr "Random initial velocity:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" -msgstr "" +msgstr "Generation Temp.:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) @@ -6944,57 +6817,57 @@ msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" -msgstr "" +msgstr "Integrator:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" -msgstr "" +msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" -msgstr "" +msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" -msgstr "" +msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" -msgstr "" +msgstr "VariableLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" -msgstr "" +msgstr "VariableVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" -msgstr "" +msgstr "Timestep:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" -msgstr "" +msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" -msgstr "" +msgstr "Error tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" -msgstr "" +msgstr "Collision rate:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" -msgstr "" +msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) @@ -7004,142 +6877,142 @@ msgstr "Temperature:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" -msgstr "" +msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" -msgstr "" +msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" -msgstr "" +msgstr "Pressure:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" -msgstr "" +msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" -msgstr "" +msgstr "Barostat Interval" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" -msgstr "" +msgstr "Reporters:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" -msgstr "" +msgstr "StateData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" -msgstr "" +msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" -msgstr "" +msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" -msgstr "" +msgstr "Report Interval:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" -msgstr "" +msgstr "Equilibration Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" -msgstr "" +msgstr "Production Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" -msgstr "" +msgstr "Minimize?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" -msgstr "" +msgstr "Max. Minimize Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" -msgstr "" +msgstr "StateData options:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" -msgstr "" +msgstr "Step Index" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" -msgstr "" +msgstr "Time" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" -msgstr "" +msgstr "Speed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" -msgstr "" +msgstr "Progress" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" -msgstr "" +msgstr "Potential Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" -msgstr "" +msgstr "Kinetic Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" -msgstr "" +msgstr "Total Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" -msgstr "" +msgstr "Volume" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) msgid "Density" -msgstr "" +msgstr "Density" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" -msgstr "" +msgstr "PDF Plot Options" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" -msgstr "" +msgstr "Maximum Radius:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" -msgstr "" +msgstr "Step (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" -msgstr "" +msgstr "Theoretical XRD Pattern Options" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) @@ -7147,6 +7020,8 @@ msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" +"

The broadening of the peak at the base (in " +"degrees).

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) @@ -7154,6 +7029,8 @@ msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" +"

The max 2theta value in degrees.

Default: 162." +"00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) @@ -7161,22 +7038,23 @@ msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" +"

The broadening of the peaks at the base in " +"degrees.

Default: 0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" -msgstr "" +msgstr "Number of points:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" -msgstr "" +msgstr "Peak width:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) -#, fuzzy msgid "Wavelength:" -msgstr "Wavelength (nm)" +msgstr "Wavelength:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) @@ -7184,6 +7062,8 @@ msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" +"

The wavelength of the x-ray in Ångstroms. " +"

Default: 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) @@ -7191,31 +7071,33 @@ msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" +"

The number of 2theta points to generate.

Default:" +" 1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" -msgstr "" +msgstr "Max 2*theta:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) msgid "Download Plugins..." -msgstr "" +msgstr "Download Plugins..." #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" -msgstr "" +msgstr "Download Selected" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" -msgstr "" +msgstr "Critical Point Radius:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" -msgstr "" +msgstr "Bond Path Radius:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) @@ -7225,17 +7107,17 @@ msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" -msgstr "" +msgstr "Constant Size" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" -msgstr "" +msgstr "Apply Colour" #. i18n: file: qtplugins/spectra/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" -msgstr "" +msgstr "Vibrational Modes" #. i18n: file: qtplugins/spectra/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) @@ -7244,13 +7126,11 @@ msgstr "Amplitude:" #. i18n: file: qtplugins/spectra/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) -#, fuzzy msgid "Start Animation" msgstr "Start &Animation" #. i18n: file: qtplugins/spectra/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) -#, fuzzy msgid "Stop Animation" msgstr "Stop &Animation" @@ -7262,29 +7142,25 @@ msgstr "Create Surfaces" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" -msgstr "" +msgstr "Surface:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" -msgstr "" +msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" -msgstr "" +msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) -#, fuzzy msgid "Color by:" -msgstr "Colour By:" +msgstr "Colour by:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#, fuzzy -#| msgctxt "Electrostatic potential surface type" -#| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Electrostatic Potential" @@ -7296,12 +7172,12 @@ msgstr "Resolution:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" -msgstr "" +msgstr "Very Low" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" -msgstr "" +msgstr "Low" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) @@ -7310,36 +7186,32 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" -msgstr "" +msgstr "Medium" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" -msgstr "" +msgstr "High" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" -msgstr "" +msgstr "Very High" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" -msgstr "" +msgstr "&Isosurface Value:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) -#, fuzzy -#| msgid " K" msgid " " -msgstr " K" +msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) -#, fuzzy -#| msgid "Nothing" msgid "Smoothing:" -msgstr "Nothing" +msgstr "Smoothing:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) @@ -7348,10 +7220,8 @@ msgstr "Light" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#, fuzzy -#| msgid "Strontium" msgid "Strong" -msgstr "Strontium" +msgstr "Strong" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) @@ -7361,12 +7231,12 @@ msgstr "Calculate" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." -msgstr "" +msgstr "Record Movie..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" -msgstr "" +msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) @@ -7376,256 +7246,239 @@ msgstr "Molecule" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" -msgstr "" +msgstr "Symmetrically equivalent atoms:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" -msgstr "" +msgstr "Lock Symmetry" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" -msgstr "" +msgstr "Operations" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" -msgstr "" +msgstr "Symmetry elements:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" -msgstr "" +msgstr "Subgroups" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" -msgstr "" +msgstr "Subgroups:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" -msgstr "" +msgstr "Tolerance:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" -msgstr "" +msgstr "Tight" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" -msgstr "" +msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" -msgstr "" +msgstr "Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" -msgstr "" +msgstr "Very Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" -msgstr "" +msgstr "Detect Symmetry" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" -msgstr "" +msgstr "Centres" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) -#, fuzzy -#| msgid "Partial Charge" msgid "Formal Charge:" -msgstr "Partial Charge" +msgstr "Formal Charge:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" -msgstr "" +msgstr "0" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" -msgstr "" +msgstr "+1" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" -msgstr "" +msgstr "+2" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" -msgstr "" +msgstr "+3" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" -msgstr "" +msgstr "+4" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" -msgstr "" +msgstr "+5" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" -msgstr "" +msgstr "+6" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" -msgstr "" +msgstr "+7" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) -#, fuzzy msgid "Coordination:" -msgstr "Cartesian coordinates editor" +msgstr "Coordination:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" -msgstr "" +msgstr "6: Octahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) -#, fuzzy -#| msgid "Linear" msgid "1: Linear" -msgstr "Linear" +msgstr "1: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) -#, fuzzy -#| msgid "Linear" msgid "2: Linear" -msgstr "Linear" +msgstr "2: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" -msgstr "" +msgstr "3: Trigonal Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" -msgstr "" +msgstr "4: Tetrahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" -msgstr "" +msgstr "4: Square Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" -msgstr "" +msgstr "5: Trigonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" -msgstr "" +msgstr "5: Square Pyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" -msgstr "" +msgstr "6: Trigonal Prism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" -msgstr "" +msgstr "7: Pentagonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" -msgstr "" +msgstr "8: Square Antiprism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" -msgstr "" +msgstr "Ligands" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) -#, fuzzy -#| msgid "Type" msgid "Type:" -msgstr "Type" +msgstr "Type:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" -msgstr "" +msgstr "Monodentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" -msgstr "" +msgstr "Bidentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) -#, fuzzy -#| msgid "Transition State" msgid "Tridentate" -msgstr "Transition State" +msgstr "Tridentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) -#, fuzzy -#| msgid "Transition State" msgid "Tetradentate" -msgstr "Transition State" +msgstr "Tetradentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) -#, fuzzy -#| msgid "Transition State" msgid "Hexadentate" -msgstr "Transition State" +msgstr "Hexadentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" -msgstr "" +msgstr "Haptic" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) -#, fuzzy -#| msgid "DFT Functional:" msgid "Functional Groups" -msgstr "Funcional DFT:" +msgstr "Functional Groups" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:366 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" -msgstr "" +msgstr "From Clipboard" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:389 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" -msgstr "" +msgstr "Ligand:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" -msgstr "" +msgstr "Yaehmop Band" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " -msgstr "" +msgstr "Min y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) @@ -7633,9 +7486,8 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) -#, fuzzy msgid " eV" -msgstr "eV" +msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) @@ -7649,11 +7501,19 @@ msgid "" "level is set in the spinbox on the right.

Default: off

" msgstr "" +"

The Fermi level should be known before checking this " +"box. You can discover the Fermi level by performing a density-of-states " +"calculation and displaying the data (it will be at the top of the data). In " +"addition, if a density-of-states calculation is performed, the Fermi level " +"here will automatically be set to what was detected during the density-of-" +"states calculation.

If this box is checked, be sure the correct Fermi " +"level is set in the spinbox on the right.

Default: " +"off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" -msgstr "" +msgstr "Plot Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) @@ -7662,31 +7522,34 @@ msgid "" "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" +"

Adjust the energies so that the zero is the Fermi? " +"Only available if we are plotting the Fermi level.


Default:" +" off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" -msgstr "" +msgstr "Zero Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" -msgstr "" +msgstr "# of k-points connecting special k-points:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" -msgstr "" +msgstr "Special k-points" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " -msgstr "" +msgstr "Max y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" -msgstr "" +msgstr "

The Fermi Level

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) @@ -7703,6 +7566,17 @@ msgid "" "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

" msgstr "" +"

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " +"<x> <y> <z> where x, y, and z are fractional reciprocal " +"space coordinates. Lines will be drawn connecting these k-points on the " +"graph in the order you put them in. Please note that the orientation of your " +"cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " +"special k points will be automatically filled up with the primitive cell " +"high symmetry points for that space group. There are a few space groups will " +"different high symmetry points depending on the lattice (such as if a > b " +"or a < b) - that is taken into account automatically.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) @@ -7718,6 +7592,16 @@ msgid "" "right:0px; -qt-block-indent:0; text-indent:0px;\">GM 0.0 0.0 0.0

" msgstr "" +"\n" +"\n" +"

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) @@ -7726,6 +7610,9 @@ msgid "" "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" +"

Enter the number of k-points that will be connecting " +"the special k-points. More of these k-points will smooth out the graph, but " +"the calculation may take longer.

Default: 40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) @@ -7733,11 +7620,13 @@ msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" +"

Limit the y-range in the plot?

Default: " +"off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" -msgstr "" +msgstr "Limit y-range?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) @@ -7751,34 +7640,75 @@ msgid "" "p>

If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" +"

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " +"vector of the crystal.


If this is set to 2, the material " +"will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " +"C vectors of the crystal.


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) -#, fuzzy -#| msgid "Number of Bonds:" msgid "Number of Dimensions:" -msgstr "Number of Bonds:" +msgstr "Number of Dimensions:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" -msgstr "" +msgstr "Display Yaehmop Input?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" -",Launchpad Contributions:,Ken Sharp, ,Launchpad Contributions:,Avogadro Team," -"Ken Sharp, ,Launchpad Contributions:,Avogadro Team,Ken Sharp, ,Launchpad " -"Contributions:,Avogadro Team,Ken Sharp, ,Launchpad Contributions:,Avogadro " -"Team,Joel Pickett,Ken Sharp,Robert Readman, ,Launchpad Contributions:," -"Avogadro Team,Joel Pickett,Ken Sharp,Robert Readman, ,Launchpad " -"Contributions:,Avogadro Team,Joel Pickett,Ken Sharp,Robert Readman" +",Launchpad Contributions:,Andres Montejo Martinez,DiegoJ,Edgardo Fredz," +"Enterhase,Feder Sáiz,Federico Vera,Gabriel Ruiz,Geoff Hutchison,Gothmog," +"Javier García Díaz,Luis J. Claros,Pablo Catarecha,Rogelio Castillo A.," +"cocoloco, ,Launchpad Contributions:,Gabriel Ruiz,Geoff Hutchison,Jen Ockwell," +"Marcus D. Hanwell,kuede, ,Launchpad Contributions:,Avogadro Team, ,Launchpad " +"Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Marcus D. Hanwell, ," +"Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Marcus D. " +"Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " +"Hutchison,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro " +"Team,Brian Burns,Geoff Hutchison,Marcus D. Hanwell,ascenseur, ,Launchpad " +"Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Ken Sharp,Marcus D. " +"Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " +"Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:," +"Avogadro Team,Brian Burns,Geoff Hutchison,Ken Sharp,Marcus D. Hanwell," +"ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " +"Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:," +"Andi Chandler,Anthony Harrington,Avogadro Team,Brian Burns,Chris Woollard," +"Geoff Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad " +"Contributions:,Andi Chandler,Anthony Harrington,Avogadro Team,Brian Burns," +"Chris Woollard,Geoff Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ," +"Launchpad Contributions:,Andi Chandler,Anthony Harrington,Avogadro Team," +"Brian Burns,Chris Woollard,Geoff Hutchison,Ken Sharp,Marcus D. Hanwell," +"ascenseur" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" -",,bburns@aundae.com,debianmaster@gmail.com,jenfraggleubuntu@googlemail." -"com,,,,,bburns@aundae.com" +",,Nathan_chud@hotmail.com,diegojromerolopez@gmail.com,medeshago@gmail.com," +"patricio.oshee@gmail.com,federsaiz@googlemail.com,,debianmaster@gmail." +"com,,,,,pczoido@gmail.com,,jalvarezrom@gmail.com,,,debianmaster@gmail.com,," +"jenfraggleubuntu@googlemail.com,,,,,avogadro-devel@lists.sourceforge.net,,," +"avogadro-devel@lists.sourceforge.net,bburns@aundae.com,,,,,avogadro-" +"devel@lists.sourceforge.net,bburns@aundae.com,,,joseph.odell@googlemail." +"com,,,avogadro-devel@lists.sourceforge.net,bburns@aundae.com,,,joseph." +"odell@googlemail.com,,,avogadro-devel@lists.sourceforge.net,bburns@aundae." +"com,,,joseph.odell@googlemail.com,,,avogadro-devel@lists.sourceforge.net," +"bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-devel@lists." +"sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-" +"devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail." +"com,,,avogadro-devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph." +"odell@googlemail.com,,,,untaintableangel@ubuntu.com,avogadro-devel@lists." +"sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph." +"odell@googlemail.com,,,,untaintableangel@ubuntu.com,avogadro-devel@lists." +"sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph." +"odell@googlemail.com,,,,,avogadro-devel@lists.sourceforge.net,bburns@aundae." +"com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com" + +#~ msgid "Connection failed" +#~ msgstr "Connection failed" #, fuzzy #~ msgid "Filename" @@ -7789,7 +7719,7 @@ msgstr "" #, fuzzy #~ msgid "YAeHMOP Band Structure" -#~ msgstr "Structure:" +#~ msgstr "Load File" #, fuzzy #~ msgid "Navigate Back" @@ -7810,9 +7740,14 @@ msgstr "" #~ msgstr "Element name" #, fuzzy -#~| msgid "Dihedral:" +#~ msgid "All files (*);;" +#~ msgstr "All files" + +#, fuzzy +#~| msgctxt "Lattice type" +#~| msgid "Rhombohedral" #~ msgid "octahedral" -#~ msgstr "Dihedral:" +#~ msgstr "Rhombohedral" #, fuzzy #~| msgid "Molecule" @@ -7825,7 +7760,14 @@ msgstr "" #, fuzzy #~ msgid "&GAMESS..." -#~ msgstr "&GAMESS" +#~ msgstr "&GAMESS-UK..." + +#~ msgid "Fragment..." +#~ msgstr "Fragment..." + +#, fuzzy +#~ msgid "Crystal..." +#~ msgstr "Crystal..." #~ msgid "SMILES..." #~ msgstr "SMILES..." @@ -7853,6 +7795,10 @@ msgstr "" #~ msgid "Create Surfaces..." #~ msgstr "Create Surfaces..." +#, fuzzy +#~ msgid "Symmetry..." +#~ msgstr "Symmetry" + #~ msgid "Insert Fragment..." #~ msgstr "Insert Fragment..." @@ -7866,34 +7812,36 @@ msgstr "" #~ msgid "Rotatable" #~ msgstr "Rotatable" -#, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" -#~ msgstr "Conformer %1" +#~ msgstr "" +#~ "Conformer %1\n" +#~ "Length %2" -#, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" -#~ msgstr "Conformer %1" +#~ msgstr "" +#~ "Conformer %1\n" +#~ "Angle %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" -#, fuzzy #~ msgid "Angle" -#~ msgstr "Angle:" +#~ msgstr "Angle" -#, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" -#~ msgstr "Conformer %1" +#~ msgstr "" +#~ "Conformer %1\n" +#~ "Torsion %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" @@ -7902,13 +7850,11 @@ msgstr "" #~ msgid "Torsion" #~ msgstr "Torsion" -#, fuzzy #~ msgid "Energy (kJ/mol)" -#~ msgstr "Energy (kJ/mol):" +#~ msgstr "Energy (kJ/mol)" -#, fuzzy #~ msgid "Conformer" -#~ msgstr "Conformer %1" +#~ msgstr "Conformer" #~ msgid "Yes" #~ msgstr "Yes" @@ -7930,9 +7876,8 @@ msgstr "" #~ msgid "Insert SMILES fragment:" #~ msgstr "Insert SMILES fragment:" -#, fuzzy #~ msgid "Insert Crystal" -#~ msgstr "Insert Fragment" +#~ msgstr "Insert Crystal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Insert molecular fragments for building larger molecules" @@ -7940,13 +7885,16 @@ msgstr "" #~ msgid "E&xtensions" #~ msgstr "E&xtensions" +#~ msgid "Symmetry Properties..." +#~ msgstr "Symmetry Properties..." + #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimise Geometry" #, fuzzy #~ msgid "Configure geometry optimization..." -#~ msgstr "Geometry Optimisation" +#~ msgstr "Geometry Optimization" #, fuzzy #~ msgid "Add hydrogens" @@ -7984,6 +7932,9 @@ msgstr "" #~ msgid "Color by distance from the first atom." #~ msgstr "Colour by distance from the first atom." +#~ msgid "Color by Element" +#~ msgstr "Colour by Element" + #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Colour by Element (carbon = grey, oxygen = red, ...)." @@ -8020,9 +7971,15 @@ msgstr "" #~ msgid "Axes" #~ msgstr "Axes" +#~ msgid "Renders the x, y, and z axes at the origin" +#~ msgstr "Renders the x, y and z axes at the origin" + #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Renders primitives using Balls (atoms) and Sticks (bonds)" +#~ msgid "Dipole" +#~ msgstr "Dipole" + #~ msgid "Hydrogen Bond" #~ msgstr "Hydrogen Bond" @@ -8076,6 +8033,15 @@ msgstr "" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "Renders bonds as wires (lines), ideal for very large (bio)molecules" +#~ msgid "Trajectory files" +#~ msgstr "Trajectory files" + +#~ msgid "DL-POLY HISTORY files" +#~ msgstr "DL-POLY HISTORY files" + +#~ msgid "Open Trajectory File" +#~ msgstr "Open Trajectory File" + #~ msgid "%1/%2" #~ msgstr "%1/%2" @@ -8107,6 +8073,9 @@ msgstr "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" +#~ msgid "Could not determine format from filename: %1" +#~ msgstr "Could not determine format from filename: %1" + #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animate trajectories, reactions, and vibrations." @@ -8151,6 +8120,275 @@ msgstr "" #~ msgstr "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" +#~ msgid "&Crystallography" +#~ msgstr "&Crystallography" + +#~ msgid "&Reduce" +#~ msgstr "&Reduce" + +#~ msgid "&Settings" +#~ msgstr "&Settings" + +#~ msgid "&Length Unit" +#~ msgstr "&Length Unit" + +#~ msgid "&Angle Unit" +#~ msgstr "&Angle Unit" + +#~ msgid "&Coordinate Display" +#~ msgstr "&Coordinate Display" + +#~ msgid "Coordinate &Preservation" +#~ msgstr "Coordinate &Preservation" + +#~ msgid "&Matrix Display" +#~ msgstr "&Matrix Display" + +#~ msgid "Hide &Editors" +#~ msgstr "Hide &Editors" + +#~ msgid "Show &Editors" +#~ msgstr "Show &Editors" + +#~ msgid "Hide &Property Display" +#~ msgstr "Hide &Property Display" + +#~ msgid "Show &Property Display" +#~ msgstr "Show &Property Display" + +#~ msgctxt "Unit cell lattice" +#~ msgid "Lattice Type: %1" +#~ msgstr "Lattice Type: %1" + +#~ msgid "Spacegroup: %1" +#~ msgstr "Space group: %1" + +#~ msgid "Unit cell volume: %L1%2" +#~ msgstr "Unit cell volume: %L1%2" + +#~ msgid "Undefined" +#~ msgstr "Undefined" + +#~ msgctxt "Lattice type" +#~ msgid "Triclinic" +#~ msgstr "Triclinic" + +#~ msgctxt "Lattice type" +#~ msgid "Monoclinic" +#~ msgstr "Monoclinic" + +#~ msgctxt "Lattice type" +#~ msgid "Orthorhombic" +#~ msgstr "Orthorhombic" + +#~ msgctxt "Lattice type" +#~ msgid "Tetragonal" +#~ msgstr "Tetragonal" + +#~ msgctxt "Lattice type" +#~ msgid "Hexagonal" +#~ msgstr "Hexagonal" + +#~ msgctxt "Lattice type" +#~ msgid "Cubic" +#~ msgstr "Cubic" + +#~ msgid "Paste Crystal" +#~ msgstr "Paste Crystal" + +#~ msgid "" +#~ "Niggli-reduction failed. The input structure's lattice that is confusing " +#~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " +#~ "2 orders of magnitude smaller than the tolerance) to the input lattices " +#~ "and try again." +#~ msgstr "" +#~ "Niggli-reduction failed. The input structure's lattice is confusing the " +#~ "Niggli-reduction algorithm. Try making a small perturbation (approx. 2 " +#~ "orders of magnitude smaller than the tolerance) to the input lattices and " +#~ "try again." + +#~ msgid "" +#~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " +#~ "Stopping." +#~ msgstr "" +#~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " +#~ "Stopping." + +#~ msgid "&Translate Atoms..." +#~ msgstr "&Translate Atoms..." + +#~ msgid "Rotate To Standard &Orientation" +#~ msgstr "Rotate To Standard &Orientation" + +#~ msgid "&Slab..." +#~ msgstr "&Slab..." + +#~ msgid "Perceive Space&group..." +#~ msgstr "Perceive Space &group..." + +#~ msgid "Set &Spacegroup..." +#~ msgstr "Set &Space group..." + +#~ msgid "&Fill Unit Cell" +#~ msgstr "&Fill Unit Cell" + +#~ msgid "Fill the unit cell using current spacegroup." +#~ msgstr "Fill the unit cell using current space group." + +#~ msgid "Reduce to &Asymmetric Unit" +#~ msgstr "Reduce to &Asymmetric Unit" + +#~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." +#~ msgstr "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." + +#~ msgid "Sy&mmetrize Crystal" +#~ msgstr "Sy&mmetrise Crystal" + +#~ msgid "Reduce Cell (&Primitive)" +#~ msgstr "Reduce Cell (&Primitive)" + +#~ msgid "&Bohr" +#~ msgstr "&Bohr" + +#~ msgid "&Nanometer" +#~ msgstr "&Nanometre" + +#~ msgid "&Picometer" +#~ msgstr "&Picometre" + +#~ msgid "&Degree" +#~ msgstr "&Degree" + +#~ msgid "&Radian" +#~ msgstr "&Radian" + +#~ msgid "Display &cartesian coordinates" +#~ msgstr "Display &cartesian coordinates" + +#~ msgid "Preserve &Cartesian Coordinates During Cell Modification" +#~ msgstr "Preserve &Cartesian Coordinates During Cell Modification" + +#~ msgid "Preserve &Fractional Coordinates During Cell Modification" +#~ msgstr "Preserve &Fractional Coordinates During Cell Modification" + +#~ msgid "Display &cartesian matrix" +#~ msgstr "Display &cartesian matrix" + +#~ msgid "Display &fractional matrix" +#~ msgstr "Display &fractional matrix" + +#~ msgid "Display as &row vectors" +#~ msgstr "Display as &row vectors" + +#~ msgid "Display as &column vectors" +#~ msgstr "Display as &column vectors" + +#~ msgid "&Crystal View Options..." +#~ msgstr "&Crystal View Options..." + +#~ msgid "" +#~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." +#~ "

Cell can be symmetrized into a conventional setting, do you wish to " +#~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " +#~ "this.

" +#~ msgstr "" +#~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." +#~ "

Cell can be symmetrised into a conventional setting, do you wish to " +#~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " +#~ "this.

" + +#~ msgid "Set Spacegroup" +#~ msgstr "Set Space group" + +#~ msgid "" +#~ "There is not a spacegroup set for this document.\n" +#~ "\n" +#~ "Would you like to set a spacegroup now?" +#~ msgstr "" +#~ "There is not a space group set for this document.\n" +#~ "\n" +#~ "Would you like to set a space group now?" + +#~ msgid "" +#~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" +#~ "\n" +#~ "Would you like to try again with a different tolerance?" +#~ msgstr "" +#~ "Space group P1 detected -- cannot symmetrise to this space group.\n" +#~ "\n" +#~ "Would you like to try again with a different tolerance?" + +#~ msgid "Symmetrize Crystal" +#~ msgstr "Symmetrise Crystal" + +#~ msgid "Wrap Atoms To Cell" +#~ msgstr "Wrap Atoms To Cell" + +#~ msgid "Reduce to Niggli Cell" +#~ msgstr "Reduce to Niggli Cell" + +#~ msgid "Select tolerance in current cartesian units:" +#~ msgstr "Select tolerance in current cartesian units:" + +#~ msgid "Crystallography" +#~ msgstr "Crystallography" + +#~ msgid "Construct and analyze periodic structures." +#~ msgstr "Construct and analyse periodic structures." + +#~ msgid "" +#~ "The input is not formatted as one of\n" +#~ "the following supported formats:\n" +#~ "\n" +#~ msgstr "" +#~ "The input is not formatted as one of\n" +#~ "the following supported formats:\n" +#~ "\n" + +#~ msgid "VASP Format\n" +#~ msgstr "VASP Format\n" + +#~ msgid "Bad Compostion" +#~ msgstr "Bad Compostion" + +#~ msgid "" +#~ "The identities field must contain the same number of space delimited " +#~ "entries as line 6 of the POSCAR." +#~ msgstr "" +#~ "The identities field must contain the same number of space delimited " +#~ "entries as line 6 of the POSCAR." + +#~ msgid "Cartesian Coordinates" +#~ msgstr "Cartesian Coordinates" + +#~ msgid "Fractional Coordinates" +#~ msgstr "Fractional Coordinates" + +#~ msgctxt "Unit cell matrix, arg is vector style (row or column" +#~ msgid "Cell Matrix (%1)" +#~ msgstr "Cell Matrix (%1)" + +#~ msgid "Set Unit Cell Matrix" +#~ msgstr "Set Unit Cell Matrix" + +#~ msgid "Set Unit Cell Params" +#~ msgstr "Set Unit Cell Params" + +#~ msgid "Working..." +#~ msgstr "Working..." + +#~ msgid "Build" +#~ msgstr "Build" + +#~ msgid "Cut Slab From Crystal" +#~ msgstr "Cut Slab From Crystal" + +#~ msgid "No GLWidget?" +#~ msgstr "No GLWidget?" + +#~ msgid "Please select one or more atoms." +#~ msgstr "Please select one or more atoms." + #~ msgid "Trajectory..." #~ msgstr "Trajectory..." @@ -8160,6 +8398,9 @@ msgstr "" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemical files (*.xyz)" +#~ msgid "Open parameter file" +#~ msgstr "Open parameter file" + #~ msgid "Chemical files (*.parm7)" #~ msgstr "Chemical files (*.parm7)" @@ -8178,6 +8419,16 @@ msgstr "" #~ msgid "Constraints..." #~ msgstr "Constraints..." +#~ msgid "" +#~ "Cannot set up the currently selected force field for this molecule. " +#~ "Switching to UFF." +#~ msgstr "" +#~ "Cannot set up the currently selected force field for this molecule. " +#~ "Switching to UFF." + +#~ msgid "Geometric Optimization" +#~ msgstr "Geometric Optimization" + #~ msgid "Systematic Rotor Search" #~ msgstr "Systematic Rotor Search" @@ -8187,6 +8438,9 @@ msgstr "" #~ msgid "Weighted Rotor Search" #~ msgstr "Weighted Rotor Search" +#~ msgid "Genetic Algorithm Search" +#~ msgstr "Genetic Algorithm Search" + #~ msgid "ForceField" #~ msgstr "ForceField" @@ -8197,6 +8451,18 @@ msgstr "" #~ "Optimise molecules and generate conformers using molecular mechanics " #~ "force fields" +#~ msgid "&Vector Graphics..." +#~ msgstr "&Vector Graphics..." + +#~ msgid "Common vector image formats" +#~ msgstr "Common vector image formats" + +#~ msgid "EPS" +#~ msgstr "EPS" + +#~ msgid "Vector graphics export" +#~ msgstr "Vector graphics export" + #~ msgid "Change H to Methyl" #~ msgstr "Change H to Methyl" @@ -8212,12 +8478,28 @@ msgstr "" #~ msgid "Add or remove hydrogens" #~ msgstr "Add or remove hydrogens" +#~ msgid "Insert DNA/RNA chains" +#~ msgstr "Insert DNA/RNA chains" + #~ msgid "Peptide..." #~ msgstr "Peptide..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Insert oligopeptide sequences" +#~ msgid "Invert Chirality" +#~ msgstr "Invert Chirality" + +#~ msgid "InvertChiral" +#~ msgstr "InvertChiral" + +#~ msgid "Invert chiral centers" +#~ msgstr "Invert chiral centres" + +#~ msgctxt "Unknown molecule name" +#~ msgid "unknown" +#~ msgstr "unknown" + #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Estimated Dipole Moment (D):" @@ -8251,15 +8533,104 @@ msgstr "" #~ msgid "Fetch molecule files over the network." #~ msgstr "Fetch molecule files over the network." +#~ msgid "OrcaExtension Warning" +#~ msgstr "OrcaExtension Warning" + +#~ msgid "OrcaExtension" +#~ msgstr "OrcaExtension" + +#~ msgid " No vibration data found!" +#~ msgstr " No vibration data found!" + +#~ msgid " No vibration data found or molecule changed outside Orca Plugin!" +#~ msgstr " No vibration data found or molecule changed outside Orca Plugin!" + +#~ msgid "Selected displacement data don't fit to the actual molecule!" +#~ msgstr "Selected displacement data doesn't fit to the actual molecule!" + +#~ msgid "extended Geometry File" +#~ msgstr "extended Geometry File" + +#~ msgid "Read Orca Outputfile" +#~ msgstr "Read Orca Outputfile" + +#~ msgid "no file found" +#~ msgstr "no file found" + +#~ msgid "Somethings wrong in the file structure" +#~ msgstr "Somethings wrong in the file structure" + +#~ msgid "Somethings wrong in the file structure - unitcells" +#~ msgstr "Somethings wrong in the file structure - unitcells" + +#~ msgid "Something is wrong in the IR output! " +#~ msgstr "Something is wrong in the IR output! " + +#~ msgid "Something is wrong in the raman output! " +#~ msgstr "Something is wrong in the raman output! " + +#~ msgid "Something is wrong in the orbital energy output! " +#~ msgstr "Something is wrong in the orbital energy output! " + +#~ msgid "No geometry found in file!" +#~ msgstr "No geometry found in file!" + +#~ msgid "" +#~ "Molecule of the file does not fit the actual molecule structure! \n" +#~ " Would you like to override the actual molecule?" +#~ msgstr "" +#~ "Molecule of the file does not fit the actual molecule structure! \n" +#~ " Would you like to override the actual molecule?" + +#~ msgid "Could not read file!" +#~ msgstr "Could not read file!" + +#~ msgid "Analyse Orca Output..." +#~ msgstr "Analyse Orca Output..." + +#~ msgid "&Orca" +#~ msgstr "&Orca" + +#~ msgid "Orca Test Example" +#~ msgstr "Orca Test Example" + +#~ msgid "Provides a dialog box with the words \"H...\"." +#~ msgstr "Provides a dialogue box with the words \"H...\"." + +#~ msgid "ORCA Input Deck" +#~ msgstr "ORCA Input Deck" + #~ msgid "Show Preview" #~ msgstr "Show Preview" #~ msgid "Hide Preview" #~ msgstr "Hide Preview" +#~ msgid "RijCosX option not available for the selected DFT functional!" +#~ msgstr "RijCosX option not available for the selected DFT functional!" + +#~ msgid "" +#~ "RijCosX not available for the selected DFT functional! \n" +#~ "RijCosX option reset!" +#~ msgstr "" +#~ "RijCosX not available for the selected DFT functional! \n" +#~ "RijCosX option reset!" + +#~ msgid "" +#~ "Unsaved changes are made in the actual preview text! \n" +#~ " Generating a new preview will lose all changes! \n" +#~ " Would you like to override them anyway?" +#~ msgstr "" +#~ "Unsaved changes are made in the actual preview text! \n" +#~ " Generating a new preview will lose all changes! \n" +#~ " Would you like to override them anyway?" + #~ msgid "Intensities" #~ msgstr "Intensities" +#~ msgid " OrcaSpectra::No vibration data found!" +#~ msgstr " OrcaSpectra::No vibration data found!" + #~ msgid "Save POV-Ray rendered image" #~ msgstr "Save POV-Ray rendered image" @@ -8320,6 +8691,50 @@ msgstr "" #~ msgid "Interactive python scripting terminal" #~ msgstr "Interactive python scripting terminal" +#~ msgid "Abinit Input Deck Generator Warning" +#~ msgstr "Abinit Input Deck Generator Warning" + +#~ msgid "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "Abinit input deck preview pane?" +#~ msgstr "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "Abinit input deck preview pane?" + +#~ msgid "Abinit_Input_Deck" +#~ msgstr "Abinit_Input_Deck" + +#~ msgid "Abinit Running." +#~ msgstr "Abinit Running." + +#~ msgid "" +#~ "Abinit is already running. Please wait until the previous calculation is " +#~ "finished." +#~ msgstr "" +#~ "Abinit is already running. Please wait until the previous calculation is " +#~ "finished." + +#~ msgid "Abinit Not Installed." +#~ msgstr "Abinit Not Installed." + +#~ msgid "The abinit executable cannot be found." +#~ msgstr "The abinit executable cannot be found." + +#~ msgid "" +#~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" +#~ msgstr "" +#~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" + +#~ msgid "abinit did not start. Perhaps it is not installed correctly." +#~ msgstr "abinit did not start. Perhaps it is not installed correctly." + +#~ msgid "Running Abinit calculation..." +#~ msgstr "Running Abinit calculation..." + +#~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." +#~ msgstr "" +#~ "Abinit did not run correctly. Perhaps it is not installed correctly." + #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Dalton Input File Generator Warning" @@ -8357,12 +8772,18 @@ msgstr "" #~ msgid " (" #~ msgstr " (" +#~ msgid "qm" +#~ msgstr "qm" + #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" +#~ msgid "GAMESS" +#~ msgstr "GAMESS" + #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Create input files for the GAMESS quantum chemistry package" @@ -8396,9 +8817,29 @@ msgstr "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" +#~ msgid "GAMESS-UK Input Deck Generator Warning" +#~ msgstr "GAMESS-UK Input Deck Generator Warning" + +#~ msgid "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "GAMESS-UK input deck preview pane?" +#~ msgstr "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "GAMESS-UK input deck preview pane?" + +#~ msgid "GAMESS-UK Input Deck" +#~ msgstr "GAMESS-UK Input Deck" + #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian Input Deck Generator Warning" +#~ msgid "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "Gaussian input deck preview pane?" +#~ msgstr "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "Gaussian input deck preview pane?" + #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussian Input Deck" @@ -8432,6 +8873,9 @@ msgstr "" #~ msgstr "" #~ "Gaussian did not run correctly. Perhaps it is not correctly installed." +#~ msgid "&Abinit..." +#~ msgstr "&Abinit..." + #~ msgid "&Dalton..." #~ msgstr "&Dalton..." @@ -8444,12 +8888,37 @@ msgstr "" #~ msgid "&NWChem..." #~ msgstr "&NWChem..." +#~ msgid "&PSI4..." +#~ msgstr "&PSI4..." + #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." +#~ msgid "&TeraChem..." +#~ msgstr "&TeraChem..." + +#~ msgid "Lammps Input Deck Generator Warning" +#~ msgstr "Lammps Input Deck Generator Warning" + +#~ msgid "Molpro Input Deck Generator Warning" +#~ msgstr "Molpro Input Deck Generator Warning" + +#~ msgid "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "Molpro input deck preview pane?" +#~ msgstr "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "Molpro input deck preview pane?" + +#~ msgid "Molpro Input Deck" +#~ msgstr "Molpro Input Deck" + #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC Input Warning" +#~ msgid "MOPAC Input Deck" +#~ msgstr "MOPAC Input Deck" + #~ msgid "MOPAC Running." #~ msgstr "MOPAC Running." @@ -8465,6 +8934,9 @@ msgstr "" #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "The MOPAC executable, cannot be found." +#~ msgid "MOPAC failed to start." +#~ msgstr "MOPAC failed to start." + #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC did not start. Perhaps it is not installed correctly." @@ -8487,6 +8959,22 @@ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" +#~ msgid "NWChem Input Deck" +#~ msgstr "NWChem Input Deck" + +#~ msgid "Psi4 Input Deck Generator Warning" +#~ msgstr "Psi4 Input Deck Generator Warning" + +#~ msgid "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "Psi4 input deck preview pane?" +#~ msgstr "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "Psi4 input deck preview pane?" + +#~ msgid "Psi4 Input Deck" +#~ msgstr "Psi4 Input Deck" + #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Input Deck Generator Warning" @@ -8497,6 +8985,22 @@ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" +#~ msgid "QChem Input Deck" +#~ msgstr "QChem Input Deck" + +#~ msgid "TeraChem Input Deck Generator Warning" +#~ msgstr "TeraChem Input Deck Generator Warning" + +#~ msgid "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "TeraChem input deck preview pane?" +#~ msgstr "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "TeraChem input deck preview pane?" + +#~ msgid "TeraChem Input Deck" +#~ msgstr "TeraChem Input Deck" + #~ msgid "Select SMARTS..." #~ msgstr "Select SMARTS..." @@ -8623,6 +9127,10 @@ msgstr "" #~ msgid "&Density Of States Settings" #~ msgstr "&Density Of States Settings" +#~ msgctxt "Ultra-Violet spectrum" +#~ msgid "UV" +#~ msgstr "UV" + #~ msgid "&UV Settings" #~ msgstr "&UV Settings" @@ -8693,6 +9201,9 @@ msgstr "" #~ msgid "Import Spectra" #~ msgstr "Import Spectra" +#~ msgid "Spectra Import" +#~ msgstr "Spectra Import" + #~ msgid "Unknown extension: %1" #~ msgstr "Unknown extension: %1" @@ -8749,6 +9260,9 @@ msgstr "" #~ msgid "Save Spectra Image" #~ msgstr "Save Spectra Image" +#~ msgid "Image successfully written to %1" +#~ msgstr "Image successfully written to %1" + #~ msgid "&Advanced <<" #~ msgstr "&Advanced <<" @@ -8795,9 +9309,26 @@ msgstr "" #~ msgid "Build and display crystallographic super cells" #~ msgstr "Build and display crystallographic super cells" +#~ msgid "Molecular Orbitals..." +#~ msgstr "Molecular Orbitals..." + #~ msgid "Orbitals" #~ msgstr "Orbitals" +#~ msgctxt "Highest Occupied MO" +#~ msgid "HOMO" +#~ msgstr "HOMO" + +#~ msgctxt "Lowest Unoccupied MO" +#~ msgid "LUMO" +#~ msgstr "LUMO" + +#~ msgid "Orbital" +#~ msgstr "Orbital" + +#~ msgid "Status" +#~ msgstr "Status" + #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Nothing" @@ -8824,6 +9355,45 @@ msgstr "" #~ msgid "VdW" #~ msgstr "VdW" +#~ msgid "Electrostatic potential surfaces are not yet supported." +#~ msgstr "Electrostatic potential surfaces are not yet supported." + +#~ msgid "Calculate molecular orbitals and other surfaces" +#~ msgstr "Calculate molecular orbitals and other surfaces" + +#~ msgid "&Nanotube Builder..." +#~ msgstr "&Nanotube Builder..." + +#~ msgid "Nanotube Builder" +#~ msgstr "Nanotube Builder" + +#~ msgid "Invalid Nanotube Specification" +#~ msgstr "Invalid Nanotube Specification" + +#~ msgid "" +#~ "The requested nanotube cannot be built for the following reason:\n" +#~ "\n" +#~ "Either n or m must be greater than 1." +#~ msgstr "" +#~ "The requested nanotube cannot be built for the following reason:\n" +#~ "\n" +#~ "Either n or m must be greater than 1." + +#~ msgid "Insert Nanotube" +#~ msgstr "Insert Nanotube" + +#~ msgid "SWCNT Builder" +#~ msgstr "SWCNT Builder" + +#~ msgid "Construct single wall carbon nanotubes." +#~ msgstr "Construct single wall carbon nanotubes." + +#~ msgid "Building..." +#~ msgstr "Building..." + +#~ msgid "Display point group symmetry." +#~ msgstr "Display point group symmetry." + #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL widget was not correctly initialised in order to make a video" @@ -8856,6 +9426,12 @@ msgstr "" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." +#~ msgid "Save VRML rendered files" +#~ msgstr "Save VRML rendered files" + +#~ msgid "VRML..." +#~ msgstr "VRML..." + #~ msgid "Connect" #~ msgstr "Connect" @@ -8889,6 +9465,18 @@ msgstr "" #~ msgid "View Size: %L1 x %L2" #~ msgstr "View Size: %L1 x %L2" +#~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" +#~ msgstr "ModelView row 1: %L1 %L2 %L3 %L4" + +#~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" +#~ msgstr "ModelView row 2: %L1 %L2 %L3 %L4" + +#~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" +#~ msgstr "ModelView row 3: %L1 %L2 %L3 %L4" + +#~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" +#~ msgstr "ModelView row 4: %L1 %L2 %L3 %L4" + #~ msgid "Atoms: %L1" #~ msgstr "Atoms: %L1" @@ -8956,6 +9544,9 @@ msgstr "" #~ msgid "Unknown Python Engine" #~ msgstr "Unknown Python Engine" +#~ msgid "N/A" +#~ msgstr "N/A" + #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: checking " @@ -8983,6 +9574,9 @@ msgstr "" #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - script has no 'Tool' class defined" +#~ msgid "Conformer %1" +#~ msgstr "Conformer %1" + #~ msgid "Tools" #~ msgstr "Tools" @@ -8992,6 +9586,29 @@ msgstr "" #~ msgid "Everything" #~ msgstr "Everything" +#~ msgid "" +#~ "Auto Optimization Tool\n" +#~ "\n" +#~ "Navigation Functions when clicking in empty space.\n" +#~ "Left Mouse: \tRotate Space\n" +#~ "Middle Mouse: Zoom Space\n" +#~ "Right Mouse: \tMove Space\n" +#~ "Double-Click: \t Reset View\n" +#~ "\n" +#~ "When running:\n" +#~ "Left Mouse: \tClick and drag atoms to move them." +#~ msgstr "" +#~ "Auto Optimisation Tool\n" +#~ "\n" +#~ "Navigation Functions when clicking in empty space.\n" +#~ "Left Mouse: \tRotate Space\n" +#~ "Middle Mouse: Zoom Space\n" +#~ "Right Mouse: \tMove Space\n" +#~ "Double-Click: \t Reset View\n" +#~ "\n" +#~ "When running:\n" +#~ "Left Mouse: \tClick and drag atoms to move them." + #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Could not setup force field...." @@ -9140,6 +9757,25 @@ msgstr "" #~ msgid "Residue" #~ msgstr "Residue" +#~ msgid "Add Center of Atoms" +#~ msgstr "Add Centre of Atoms" + +#~ msgid "Change color of the atom" +#~ msgstr "Change colour of the atom" + +#~ msgid "Change label of the atom" +#~ msgstr "Change label of the atom" + +#~ msgid "Change label of the bond" +#~ msgstr "Change label of the bond" + +#~ msgid "Change radius of the atom" +#~ msgstr "Change radius of the atom" + +#~ msgctxt "in Angstrom" +#~ msgid "New Radius, %1:" +#~ msgstr "New Radius, %1:" + #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Select atoms, residues, and molecules" @@ -9167,6 +9803,9 @@ msgstr "" #~ msgid "Color residues by:" #~ msgstr "Colour residues by:" +#~ msgid "Amino Colors" +#~ msgstr "Amino Colours" + #~ msgid "Hydrophobicity" #~ msgstr "Hydrophobicity" @@ -9188,6 +9827,9 @@ msgstr "" #~ msgid "Axis 3:" #~ msgstr "Axis 3:" +#~ msgid "Origin:" +#~ msgstr "Origin:" + #~ msgid "Norm" #~ msgstr "Norm" @@ -9224,6 +9866,9 @@ msgstr "" #~ msgid "Custom Vector" #~ msgstr "Custom Vector" +#~ msgid "Custom:" +#~ msgstr "Custom:" + #~ msgid "Width:" #~ msgstr "Width:" @@ -9251,6 +9896,9 @@ msgstr "" #~ msgid "Symbol & Atom number" #~ msgstr "Symbol & Atom number" +#~ msgid "Partial charge" +#~ msgstr "Partial charge" + #~ msgid "Residue number" #~ msgstr "Residue number" @@ -9284,6 +9932,9 @@ msgstr "" #~ msgid "Bond order" #~ msgstr "Bond order" +#~ msgid "Lines" +#~ msgstr "Lines" + #~ msgid "Radius:" #~ msgstr "Radio :" @@ -9308,6 +9959,9 @@ msgstr "" #~ msgid "Draw Box:" #~ msgstr "Draw Box:" +#~ msgid "Style:" +#~ msgstr "Style:" + #~ msgid "Mapped Colors" #~ msgstr "Mapped Colours" @@ -9336,15 +9990,24 @@ msgstr "" #~ msgid "Save as .avi..." #~ msgstr "Save as .avi..." +#~ msgid "Angstroms" +#~ msgstr "Angstroms" + #~ msgid "Bohrs" #~ msgstr "Bohrs" +#~ msgid "Fractional" +#~ msgstr "Fractional" + #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, coords only" +#~ msgid "GAMESS Input #2" +#~ msgstr "GAMESS Input #2" + #~ msgid "Priroda Input" #~ msgstr "Priroda Input" @@ -9357,6 +10020,31 @@ msgstr "" #~ msgid "Paste to the End" #~ msgstr "Paste to the End" +#~ msgid "" +#~ "\n" +#~ "\n" +#~ "

Paste or edit atomic " +#~ "coordinates here. You may paste almost any fragment of text, containing " +#~ "coordinates

" +#~ msgstr "" +#~ "\n" +#~ "\n" +#~ "

Paste or edit atomic " +#~ "coordinates here. You may paste almost any fragment of text, containing " +#~ "coordinates

" + #~ msgid "(None)" #~ msgstr "(None)" @@ -9387,6 +10075,27 @@ msgstr "" #~ msgid "Weighted rotor search" #~ msgstr "Weighted rotor search" +#~ msgid "Genetic algorithm search" +#~ msgstr "Genetic algorithm search" + +#~ msgid "Genetic Algorithm Options" +#~ msgstr "Genetic Algorithm Options" + +#~ msgid "Children" +#~ msgstr "Children" + +#~ msgid "Mutability" +#~ msgstr "Mutability" + +#~ msgid "Scoring method" +#~ msgstr "Scoring method" + +#~ msgid "RMSD" +#~ msgstr "RMSD" + +#~ msgid "Add Constraints" +#~ msgstr "Add Constraints" + #~ msgid "Ignore Atom" #~ msgstr "Ignore Atom" @@ -9414,12 +10123,105 @@ msgstr "" #~ msgid "Load" #~ msgstr "Load" +#~ msgid "Atomic &identites:" +#~ msgstr "Atomic &identites:" + +#~ msgid "Surface Slab Builder" +#~ msgstr "Surface Slab Builder" + +#~ msgid "Plane:" +#~ msgstr "Plane:" + +#~ msgid "&Miller Indices:" +#~ msgstr "&Miller Indices:" + +#~ msgid "Warning: Use non-zero Miller Indices" +#~ msgstr "Warning: Use non-zero Miller Indices" + +#~ msgid "Width (x)" +#~ msgstr "Width (x)" + +#~ msgid "Width (y)" +#~ msgstr "Width (y)" + +#~ msgid "Height (z)" +#~ msgstr "Height (z)" + +#~ msgid "length" +#~ msgstr "length" + +#~ msgid "cell repeats" +#~ msgstr "cell repeats" + +#~ msgid "&Translate " +#~ msgstr "&Translate " + +#~ msgid "by arbitrary vector" +#~ msgstr "by arbitrary vector" + +#~ msgid "selected atom to unit cell center" +#~ msgstr "selected atom to unit cell centre" + +#~ msgid "Translation vector:" +#~ msgstr "Translation vector:" + +#~ msgid "&X:" +#~ msgstr "&X:" + +#~ msgid "&Y:" +#~ msgstr "&Y:" + +#~ msgid "&Z:" +#~ msgstr "&Z:" + +#~ msgid "&Vector units:" +#~ msgstr "&Vector units:" + #~ msgid "Cartesian" #~ msgstr "Cartesian" +#~ msgid "&Translate" +#~ msgstr "&Translate" + +#~ msgid "Crystal View Options" +#~ msgstr "Crystal View Options" + +#~ msgid "Unit Cell Repeats:" +#~ msgstr "Unit Cell Repeats:" + +#~ msgid "Draw Unit Cell(s)?" +#~ msgstr "Draw Unit Cell(s)?" + +#~ msgid "One" +#~ msgstr "One" + #~ msgid "All" #~ msgstr "All" +#~ msgid "Color..." +#~ msgstr "Colour..." + +#~ msgid "View Along:" +#~ msgstr "View Along:" + +#~ msgid "Default View" +#~ msgstr "Default View" + +#~ msgid "h: " +#~ msgstr "h: " + +#~ msgid "k: " +#~ msgstr "k: " + +#~ msgid "i: " +#~ msgstr "i: " + +#~ msgid "l: " +#~ msgstr "l: " + +#~ msgid "Miller Indices" +#~ msgstr "Miller Indices" + #~ msgid "File Import..." #~ msgstr "File Import..." @@ -9441,6 +10243,9 @@ msgstr "" #~ msgid "10e-" #~ msgstr "10e-" +#~ msgid "Alanine" +#~ msgstr "Alanine" + #~ msgid "Ala" #~ msgstr "Ala" @@ -9498,9 +10303,15 @@ msgstr "" #~ msgid "Ile" #~ msgstr "Ile" +#~ msgid "Valine" +#~ msgstr "Valine" + #~ msgid "Val" #~ msgstr "Val" +#~ msgid "Tyrosine" +#~ msgstr "Tyrosine" + #~ msgid "Tyr" #~ msgstr "Tyr" @@ -9576,6 +10387,9 @@ msgstr "" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" +#~ msgid "Structure:" +#~ msgstr "Structure:" + #~ msgid "Straight Chain" #~ msgstr "Straight Chain" @@ -9591,6 +10405,9 @@ msgstr "" #~ msgid "Phi:" #~ msgstr "Phi:" +#~ msgid "Psi:" +#~ msgstr "Psi:" + #~ msgid "Chain Number:" #~ msgstr "Chain Number:" @@ -9606,9 +10423,24 @@ msgstr "" #~ msgid "Number of Residues:" #~ msgstr "Number of Residues:" +#~ msgid "Energy (kJ/mol):" +#~ msgstr "Energy (kJ/mol):" + #~ msgid "Dipole Moment (D):" #~ msgstr "Dipole Moment (D):" +#~ msgid "select Fragment" +#~ msgstr "select Fragment" + +#~ msgid "Basic" +#~ msgstr "Basic" + +#~ msgid "Comment" +#~ msgstr "Comment" + +#~ msgid "Frequency" +#~ msgstr "Frequency" + #~ msgid "RHF" #~ msgstr "RHF" @@ -9621,12 +10453,151 @@ msgstr "" #~ msgid "CCSD" #~ msgstr "CCSD" +#~ msgid "Format" +#~ msgstr "Format" + +#~ msgid "z-Matrix" +#~ msgstr "z-Matrix" + +#~ msgid "z-Matrix compact" +#~ msgstr "z-Matrix compact" + #~ msgid "Advanced" #~ msgstr "Advanced" +#~ msgid "Basis Set" +#~ msgstr "Basis Set" + +#~ msgid "SCF" +#~ msgstr "SCF" + +#~ msgid "RijCosX" +#~ msgstr "RijCosX" + +#~ msgid "Aux. Basis Set" +#~ msgstr "Aux. Basis Set" + +#~ msgid "Aux. ECP" +#~ msgstr "Aux. ECP" + +#~ msgid "Relativistic" +#~ msgstr "Relativistic" + +#~ msgid "ZORA" +#~ msgstr "ZORA" + +#~ msgid "IORA" +#~ msgstr "IORA" + +#~ msgid "DKH" +#~ msgstr "DKH" + +#~ msgid "Order" +#~ msgstr "Order" + +#~ msgid "Corr. Aux. Basis Set" +#~ msgstr "Corr. Aux. Basis Set" + +#~ msgid "Corr. ECP" +#~ msgstr "Corr. ECP" + +#~ msgid "Run type" +#~ msgstr "Run type" + +#~ msgid "MOs" +#~ msgstr "MOs" + +#~ msgid "Basis Sets" +#~ msgstr "Basis Sets" + +#~ msgid "Printlevel" +#~ msgstr "Printlevel" + +#~ msgid "Small" +#~ msgstr "Small" + +#~ msgid "Large" +#~ msgstr "Large" + +#~ msgid "Damping" +#~ msgstr "Damping" + +#~ msgid "Factor" +#~ msgstr "Factor" + +#~ msgid "" +#~ "

select only if no defaults are wanted

" +#~ msgstr "" +#~ "

select only if no defaults are wanted

" + +#~ msgid "Accuracy" +#~ msgstr "Accuracy" + +#~ msgid "Tight SCF" +#~ msgstr "Tight SCF" + +#~ msgid "Very Tight SCF" +#~ msgstr "Very Tight SCF" + +#~ msgid "Extreme SCF" +#~ msgstr "Extreme SCF" + +#~ msgid "Convergers" +#~ msgstr "Convergers" + +#~ msgid "KDIIS" +#~ msgstr "KDIIS" + +#~ msgid "Levelshift " +#~ msgstr "Levelshift " + +#~ msgid "Levelshift" +#~ msgstr "Levelshift" + +#~ msgid "2nd Order" +#~ msgstr "2nd Order" + +#~ msgid "SOSCF" +#~ msgstr "SOSCF" + +#~ msgid "NRSCF" +#~ msgstr "NRSCF" + +#~ msgid "AHSCF" +#~ msgstr "AHSCF" + +#~ msgid "max. SCF iterations" +#~ msgstr "max. SCF iterations" + +#~ msgid "SCF Type" +#~ msgstr "SCF Type" + +#~ msgid "restricted" +#~ msgstr "restricted" + +#~ msgid "unrestricted" +#~ msgstr "unrestricted" + +#~ msgid "restricted open-shell" +#~ msgstr "restricted open-shell" + +#~ msgid "SFitting" +#~ msgstr "SFitting" + +#~ msgid "GridX" +#~ msgstr "GridX" + +#~ msgid "FinalGridX" +#~ msgstr "FinalGridX" + #~ msgid "Grid" #~ msgstr "Grid" +#~ msgid "FinalGrid" +#~ msgstr "FinalGrid" + #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray Export" @@ -9660,9 +10631,114 @@ msgstr "" #~ msgid "Path:" #~ msgstr "Path:" +#~ msgid "Abinit Input" +#~ msgstr "Abinit Input" + +#~ msgid "10.0" +#~ msgstr "10.0" + +#~ msgid "Cartesian (Angstrom)" +#~ msgstr "Cartesian (Angstrom)" + +#~ msgid "Reduced" +#~ msgstr "Reduced" + +#~ msgid "Plane Wave cutoff (Ha):" +#~ msgstr "Plane Wave cutoff (Ha):" + +#~ msgid "5.e-5" +#~ msgstr "5.e-5" + +#~ msgid "Tolerance on forces(Ha/bohr):" +#~ msgstr "Tolerance on forces(Ha/bohr):" + +#~ msgid "Max lattice expansion:" +#~ msgstr "Max lattice expansion:" + +#~ msgid "1.05" +#~ msgstr "1.05" + +#~ msgid "k-point shift:" +#~ msgstr "k-point shift:" + +#~ msgid "0.0" +#~ msgstr "0.0" + +#~ msgid "Number of bands:" +#~ msgstr "Number of bands:" + +#~ msgid "# k-point shifts:" +#~ msgstr "# k-point shifts:" + +#~ msgid "Double grid PW cutoff (Ha):" +#~ msgstr "Double grid PW cutoff (Ha):" + +#~ msgid "20.0" +#~ msgstr "20.0" + +#~ msgid "Occupation scheme:" +#~ msgstr "Occupation scheme:" + +#~ msgid "SCF tolerance type:" +#~ msgstr "SCF tolerance type:" + +#~ msgid "Wave Function norm" +#~ msgstr "Wave Function norm" + +#~ msgid "Total Potential" +#~ msgstr "Total Potential" + +#~ msgid "Relative Force" +#~ msgstr "Relative Force" + +#~ msgid "1 - semiconducting" +#~ msgstr "1 - semiconducting" + +#~ msgid "3 - Fermi Dirac" +#~ msgstr "3 - Fermi Dirac" + +#~ msgid "4 - Cold Smearing (Marzari)" +#~ msgstr "4 - Cold Smearing (Marzari)" + +#~ msgid "7 - Gaussian smearing" +#~ msgstr "7 - Gaussian smearing" + +#~ msgid "Smearing width (Ha):" +#~ msgstr "Smearing width (Ha):" + +#~ msgid "0.01" +#~ msgstr "0.01" + +#~ msgid "0 - no moving ions " +#~ msgstr "0 - no moving ions " + +#~ msgid "1 - viscous damping" +#~ msgstr "1 - viscous damping" + +#~ msgid "2 - BFGS " +#~ msgstr "2 - BFGS " + +#~ msgid "3 - BFGS with energy" +#~ msgstr "3 - BFGS with energy" + +#~ msgid "# Geometrical time steps:" +#~ msgstr "# Geometrical time steps:" + +#~ msgid "1.e-10" +#~ msgstr "1.e-10" + +#~ msgid "Kinetic Energy smoothing (Ha):" +#~ msgstr "Kinetic Energy smoothing (Ha):" + +#~ msgid "0.5" +#~ msgstr "0.5" + #~ msgid "Compute..." #~ msgstr "Compute..." +#~ msgid "Dalton Input" +#~ msgstr "Dalton Input" + #~ msgid "Basics" #~ msgstr "Basics" @@ -9679,6 +10755,9 @@ msgstr "" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" +#~ msgid "Basis Set:" +#~ msgstr "Basis Set:" + #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" @@ -10238,6 +11317,9 @@ msgstr "" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" +#~ msgid "Binning/Curtiss DZ" +#~ msgstr "Binning/Curtiss DZ" + #~ msgid "Triple Zeta Valence" #~ msgstr "Triple Zeta Valence" @@ -10269,10 +11351,10 @@ msgstr "" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" -#~ msgstr "#F Heavy Atom Polarisation Functions:" +#~ msgstr "#F Heavy Atom Polarization Functions:" #~ msgid "#light Atom Polarization Functions:" -#~ msgstr "#light Atom Polarisation Functions:" +#~ msgstr "#light Atom Polarization Functions:" #~ msgid "Polar:" #~ msgstr "Polar:" @@ -10314,13 +11396,13 @@ msgstr "" #~ msgstr "TDHF" #~ msgid "Global Optimization" -#~ msgstr "Global Optimisation" +#~ msgstr "Global Optimization" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" -#~ msgstr "FMO Optimisation" +#~ msgstr "FMO Optimization" #~ msgid "Raman Intensities" #~ msgstr "Raman Intensities" @@ -10359,7 +11441,7 @@ msgstr "" #~ msgstr "SCF Type:" #~ msgid "Localization Method:" -#~ msgstr "Localisation Method:" +#~ msgstr "Localization Method:" #~ msgid "Exec Type:" #~ msgstr "Exec Type:" @@ -10418,6 +11500,9 @@ msgstr "" #~ msgid "Debug" #~ msgstr "Debug" +#~ msgid "Molecule Charge:" +#~ msgstr "Molecule Charge:" + #~ msgid "Run Type:" #~ msgstr "Run Type:" @@ -10436,6 +11521,9 @@ msgstr "" #~ msgid "Order of Principal Axis:" #~ msgstr "Order of Principal Axis:" +#~ msgid "Coordinate Type:" +#~ msgstr "Coordinate Type:" + #~ msgid "C1" #~ msgstr "C1" @@ -10484,6 +11572,9 @@ msgstr "" #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internals" +#~ msgid "MOPAC Z-Matrix" +#~ msgstr "MOPAC Z-Matrix" + #~ msgid "Use Symmetry During Calculation" #~ msgstr "Use Symmetry During Calculation" @@ -10558,6 +11649,9 @@ msgstr "" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Use External Data Representation for Messages" +#~ msgid "Initial Guess:" +#~ msgstr "Initial Guess:" + #~ msgid "Hückel" #~ msgstr "Hückel" @@ -10606,6 +11700,9 @@ msgstr "" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Version)" +#~ msgid "Gaussian 9x" +#~ msgstr "Gaussian 9x" + #~ msgid "Solvate with Water" #~ msgstr "Solvate with Water" @@ -10678,6 +11775,9 @@ msgstr "" #~ msgid "Grid-Free" #~ msgstr "Grid-Free" +#~ msgid "DFT Functional:" +#~ msgstr "DFT Functional:" + #~ msgid "AO Integral Storage" #~ msgstr "AO Integral Storage" @@ -10702,6 +11802,9 @@ msgstr "" #~ msgid "# of Core Electrons:" #~ msgstr "# of Core Electrons:" +#~ msgid "Transformation Method" +#~ msgstr "Transformation Method" + #~ msgid "Two Phase Bin Sort" #~ msgstr "Two Phase Bin Sort" @@ -10777,12 +11880,47 @@ msgstr "" #~ msgid "Follow Mode:" #~ msgstr "Follow Mode:" +#~ msgid "GAMESS-UK Input" +#~ msgstr "GAMESS-UK Input" + +#~ msgid "GAMESS-UK input generated by Avogadro" +#~ msgstr "GAMESS-UK input generated by Avogadro" + +#~ msgid "Transition State Search" +#~ msgstr "Transition State Search" + #~ msgid "Basis:" #~ msgstr "Basis:" +#~ msgid "SVWN" +#~ msgstr "SVWN" + +#~ msgid "B97" +#~ msgstr "B97" + +#~ msgid "HCTH" +#~ msgstr "HCTH" + +#~ msgid "FT97" +#~ msgstr "FT97" + #~ msgid "Z-matrix" #~ msgstr "Z-matrix" +#~ msgid "" +#~ "In direct mode, integrals are not stored on disk, but recalculated as " +#~ "needed.\n" +#~ "On modern systems with fast processors and slow disks, direct is often " +#~ "faster." +#~ msgstr "" +#~ "In direct mode, integrals are not stored on disk, but recalculated as " +#~ "needed.\n" +#~ "On modern systems with fast processors and slow disks, direct is often " +#~ "faster." + +#~ msgid "Run in direct mode:" +#~ msgstr "Run in direct mode:" + #~ msgid "Gaussian Input" #~ msgstr "Gaussian Input" @@ -10819,6 +11957,18 @@ msgstr "" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" +#~ msgid "Molpro Version:" +#~ msgstr "Molpro Version:" + +#~ msgid "< 2009.1" +#~ msgstr "< 2009.1" + +#~ msgid "2009.1" +#~ msgstr "2009.1" + +#~ msgid "MOPAC Input" +#~ msgstr "MOPAC Input" + #~ msgid "Quartet" #~ msgstr "Quartet" @@ -10837,6 +11987,24 @@ msgstr "" #~ msgid "NWChem Input" #~ msgstr "NWChem Input" +#~ msgid "SAPT0" +#~ msgstr "SAPT0" + +#~ msgid "SAPT2" +#~ msgstr "SAPT2" + +#~ msgid "B3LYP-D" +#~ msgstr "B3LYP-D" + +#~ msgid "B97-D" +#~ msgstr "B97-D" + +#~ msgid "M05-2X" +#~ msgstr "M05-2X" + +#~ msgid "jun-cc-pVDZ" +#~ msgstr "jun-cc-pVDZ" + #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem Input" @@ -10849,6 +12017,36 @@ msgstr "" #~ msgid "LACVP" #~ msgstr "LACVP" +#~ msgid "TeraChem Input" +#~ msgstr "TeraChem Input" + +#~ msgid "B3LYP1" +#~ msgstr "B3LYP1" + +#~ msgid "REVPBE" +#~ msgstr "REVPBE" + +#~ msgid "Unrestricted" +#~ msgstr "Unrestricted" + +#~ msgid "PBD" +#~ msgstr "PBD" + +#~ msgid "no" +#~ msgstr "no" + +#~ msgid "yes" +#~ msgstr "yes" + +#~ msgid "D2" +#~ msgstr "D2" + +#~ msgid "D3" +#~ msgstr "D3" + +#~ msgid "Dispersion:" +#~ msgstr "Dispersion:" + #~ msgid "Load Shaders" #~ msgstr "Load Shaders" @@ -10910,6 +12108,9 @@ msgstr "" #~ msgid "Background:" #~ msgstr "Background:" +#~ msgid "Foreground:" +#~ msgstr "Foreground:" + #~ msgid "New..." #~ msgstr "New..." @@ -10940,6 +12141,9 @@ msgstr "" #~ msgid "in" #~ msgstr "in" +#~ msgid "px" +#~ msgstr "px" + #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" @@ -11010,6 +12214,9 @@ msgstr "" #~ msgid "Relative" #~ msgstr "Relative" +#~ msgid "Scale &Factor:" +#~ msgstr "Scale &Factor:" + #~ msgid "Laser Wavenumber:" #~ msgstr "Laser Wavenumber:" @@ -11022,6 +12229,9 @@ msgstr "" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" +#~ msgid "Nucleus:" +#~ msgstr "Nucleus:" + #~ msgid "Gaussian &Width:" #~ msgstr "Gaussian &Width:" @@ -11037,6 +12247,9 @@ msgstr "" #~ msgid "Molecular Vibrations" #~ msgstr "Molecular Vibrations" +#~ msgid "Filter: " +#~ msgstr "Filter: " + #~ msgid "km/mol" #~ msgstr "km/mol" @@ -11064,6 +12277,24 @@ msgstr "" #~ msgid "&Normalize displacements" #~ msgstr "&Normalise displacements" +#~ msgid "&Recalculate All" +#~ msgstr "&Recalculate All" + +#~ msgid "Default &Quality:" +#~ msgstr "Default &Quality:" + +#~ msgid "Show occupied orbitals first" +#~ msgstr "Show occupied orbitals first" + +#~ msgid "Limit orbital precalculations to " +#~ msgstr "Limit orbital precalculations to " + +#~ msgid "orbitals around HOMO/LUMO" +#~ msgstr "orbitals around HOMO/LUMO" + +#~ msgid "Quality: " +#~ msgstr "Quality: " + #~ msgid "Surface Type:" #~ msgstr "Surface Type:" @@ -11083,6 +12314,9 @@ msgstr "" #~ msgid "Very High" #~ msgstr "Very High" +#~ msgid "Isosurface cutoff value" +#~ msgstr "Isosurface cutoff value" + #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" @@ -11095,6 +12329,63 @@ msgstr "" #~ msgid "Advanced..." #~ msgstr "Advanced..." +#~ msgid "&n:" +#~ msgstr "&n:" + +#~ msgid "&m:" +#~ msgstr "&m:" + +#~ msgid "&Length:" +#~ msgstr "&Length:" + +#~ msgid "Uni&t:" +#~ msgstr "Uni&t:" + +#~ msgid "periodic units" +#~ msgstr "periodic units" + +#~ msgid "angstrom" +#~ msgstr "angstrom" + +#~ msgid "bohr radii" +#~ msgstr "bohr radii" + +#~ msgid "nanometers" +#~ msgstr "nanometres" + +#~ msgid "&Cap with hydrogen" +#~ msgstr "&Cap with hydrogen" + +#~ msgid "" +#~ "This may take a while. If only the atomic coordinates\n" +#~ "are needed (say, for a quantum mechanical calculation),\n" +#~ "a single-bond-only representation should suffice." +#~ msgstr "" +#~ "This may take a while. If only the atomic coordinates\n" +#~ "are needed (say, for a quantum mechanical calculation),\n" +#~ "a single-bond-only representation should suffice." + +#~ msgid "Find &double bonds" +#~ msgstr "Find &double bonds" + +#~ msgid "Molecular Symmetry" +#~ msgstr "Molecular Symmetry" + +#~ msgid "VRML Export" +#~ msgstr "VRML Export" + +#~ msgid "Scale (mm/Å):" +#~ msgstr "Scale (mm/Å):" + +#~ msgid "Smallest sphere (mm): " +#~ msgstr "Smallest sphere (mm): " + +#~ msgid "Thinnest cylinder (mm): " +#~ msgstr "Thinnest cylinder (mm): " + +#~ msgid "Calculate Size..." +#~ msgstr "Calculate Size..." + #~ msgid "Display visual cues" #~ msgstr "Display visual cues" diff --git a/i18n/en_CA.po b/i18n/en_CA.po index 0b4c8d9c19..f0562530e8 100644 --- a/i18n/en_CA.po +++ b/i18n/en_CA.po @@ -1,34 +1,36 @@ -# English (Canada) translation for avogadro -# Copyright (c) 2009 Rosetta Contributors and Canonical Ltd 2009 -# This file is distributed under the same license as the avogadro package. -# FIRST AUTHOR , 2009. +# English (United Kingdom) translation for avogadro +# Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 +# This file is distributed under the same licence as the avogadro package. +# My Random Thoughts , 2021. # J. Lavoie , 2021. # ovari , 2022. +# Geoff Hutchison , 2023. +# matterhorn103 , 2023. msgid "" msgstr "" -"Project-Id-Version: avogadro\n" +"Project-Id-Version: _avogadro-en_GB\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-10-29 02:01+0000\n" -"PO-Revision-Date: 2022-07-23 02:23+0000\n" -"Last-Translator: ovari \n" -"Language-Team: English (Canada) \n" -"Language: en_CA\n" +"PO-Revision-Date: 2023-11-08 19:34+0000\n" +"Last-Translator: matterhorn103 \n" +"Language-Team: English (United Kingdom) \n" +"Language: en_GB\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" -"X-Generator: Weblate 4.14-dev\n" +"X-Generator: Weblate 5.2-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:70 #, qt-format msgid "Batch Job #%L1 (%2)" -msgstr "" +msgstr "Batch Job #%L1 (%2)" #: molequeue/client/client.cpp:244 msgid "No message specified." -msgstr "" +msgstr "No message specified." #: molequeue/inputgenerator.cpp:69 qtgui/interfacescript.cpp:70 #, qt-format @@ -37,32 +39,36 @@ msgid "" "Received:\n" "%1" msgstr "" +"script --print-options output must be an JSON object at top level. Received:" +"\n" +"%1" #: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 #: qtgui/interfacescript.cpp:319 msgid "Non-string warning returned." -msgstr "" +msgstr "Non-string warning returned." #: molequeue/inputgenerator.cpp:178 qtgui/interfacescript.cpp:211 #: qtgui/interfacescript.cpp:322 msgid "'warnings' member is not an array." -msgstr "" +msgstr "'warnings' member is not an array." #: molequeue/inputgenerator.cpp:198 qtgui/interfacescript.cpp:342 #, qt-format msgid "Reference file '%1' does not exist." -msgstr "" +msgstr "Reference file '%1' does not exist." #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:344 #, qt-format msgid "Error populating file %1: %2" -msgstr "" +msgstr "Error populating file %1: %2" #: molequeue/inputgenerator.cpp:204 qtgui/interfacescript.cpp:348 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" +"File '%1' poorly formed. Missing string 'contents' or 'filePath' members." #: molequeue/inputgenerator.cpp:236 qtgui/interfacescript.cpp:381 #, qt-format @@ -70,31 +76,33 @@ msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" +"Malformed file entry: filename/contents missing or not strings:\n" +"%1" #: molequeue/inputgenerator.cpp:242 qtgui/interfacescript.cpp:387 #, qt-format msgid "Malformed file entry at index %1: Not an object." -msgstr "" +msgstr "Malformed file entry at index %1: Not an object." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:393 msgid "'files' member not an array." -msgstr "" +msgstr "'files' member not an array." #: molequeue/inputgenerator.cpp:252 qtgui/interfacescript.cpp:397 msgid "'files' member missing." -msgstr "" +msgstr "'files' member missing." #: molequeue/inputgenerator.cpp:263 qtgui/interfacescript.cpp:408 msgid "'mainFile' member does not refer to an entry in 'files'." -msgstr "" +msgstr "'mainFile' member does not refer to an entry in 'files'." #: molequeue/inputgenerator.cpp:268 qtgui/interfacescript.cpp:413 msgid "'mainFile' member must be a string." -msgstr "" +msgstr "'mainFile' member must be a string." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:424 msgid "Response must be a JSON object at top-level." -msgstr "" +msgstr "Response must be a JSON object at top-level." #: molequeue/inputgenerator.cpp:283 qtgui/interfacescript.cpp:428 #, qt-format @@ -102,6 +110,8 @@ msgid "" "Script output:\n" "%1" msgstr "" +"Script output:\n" +"%1" #: molequeue/inputgenerator.cpp:326 qtgui/interfacescript.cpp:472 #, qt-format @@ -111,18 +121,23 @@ msgid "" "\n" "%3" msgstr "" +"Parse error at offset %L1: '%2'\n" +"Raw JSON:\n" +"\n" +"%3" #: molequeue/inputgenerator.cpp:350 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" +"Error saving molecule representation to string: Unrecognized file format: %1" #: molequeue/inputgenerator.cpp:358 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" -msgstr "" +msgstr "Error saving molecule representation to string: %1" #: molequeue/inputgenerator.cpp:370 qtgui/interfacescript.cpp:530 #, qt-format @@ -132,6 +147,10 @@ msgid "" "\n" "%3" msgstr "" +"Error generating cjson object: Parse error at offset %1: %2\n" +"Raw JSON:\n" +"\n" +"%3" #: molequeue/inputgenerator.cpp:379 qtgui/interfacescript.cpp:539 #, qt-format @@ -139,15 +158,17 @@ msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" +"Error generator cjson object: Parsed JSON is not an object:\n" +"%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" -msgstr "" +msgstr "Input Generator (error)" #: molequeue/inputgeneratordialog.cpp:43 -#, fuzzy, qt-format +#, qt-format msgid "%1 Input Generator" -msgstr "Input Generator..." +msgstr "%1 Input Generator" #: molequeue/inputgeneratorwidget.cpp:114 msgid "Continue" @@ -193,28 +214,40 @@ msgid_plural "" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" +"The following file(s) have been modified:\n" +"\n" +"%1\n" +"\n" +"Would you like to overwrite your changes to reflect the new geometry or job " +"options?" msgstr[1] "" +"The following file(s) have been modified:\n" +"\n" +"%1\n" +"\n" +"Would you like to overwrite your changes to reflect the new geometry or job " +"options?" #: molequeue/inputgeneratorwidget.cpp:162 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" -msgstr "" +msgstr "Overwrite modified input files?" #: molequeue/inputgeneratorwidget.cpp:188 msgid "Problems occurred during input generation:" -msgstr "" +msgstr "Problems occurred during input generation:" #: molequeue/inputgeneratorwidget.cpp:277 msgid "No input files to save!" -msgstr "" +msgstr "No input files to save!" #: molequeue/inputgeneratorwidget.cpp:285 #: molequeue/inputgeneratorwidget.cpp:593 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:685 msgid "Cannot connect to MoleQueue" -msgstr "" +msgstr "Cannot connect to MoleQueue" #: molequeue/inputgeneratorwidget.cpp:286 #: molequeue/inputgeneratorwidget.cpp:594 molequeue/molequeuewidget.cpp:70 @@ -224,48 +257,50 @@ msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" +"Cannot connect to MoleQueue server. Please ensure that it is running and try " +"again." #: molequeue/inputgeneratorwidget.cpp:317 #, qt-format msgid "Submit %1 Calculation" -msgstr "" +msgstr "Submit %1 Calculation" #: molequeue/inputgeneratorwidget.cpp:333 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1013 #: qtplugins/gamessinput/gamessinputdialog.cpp:722 msgid "Job Failed" -msgstr "" +msgstr "Job Failed" #: molequeue/inputgeneratorwidget.cpp:334 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1014 #: qtplugins/gamessinput/gamessinputdialog.cpp:723 msgid "The job did not complete successfully." -msgstr "" +msgstr "The job did not complete successfully." #: molequeue/inputgeneratorwidget.cpp:351 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" -msgstr "" +msgstr "Script returns warnings:\n" #: molequeue/inputgeneratorwidget.cpp:368 msgid "Hide &Warnings" -msgstr "" +msgstr "Hide &Warnings" #: molequeue/inputgeneratorwidget.cpp:374 msgid "Show &Warnings" -msgstr "" +msgstr "Show &Warnings" #: molequeue/inputgeneratorwidget.cpp:391 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" -msgstr "" +msgstr "An error has occurred:" #: molequeue/inputgeneratorwidget.cpp:442 msgid "Select output filename" -msgstr "" +msgstr "Select output filename" #: molequeue/inputgeneratorwidget.cpp:454 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" -msgstr "" +msgstr "Internal error: could not find text widget for filename '%1'" #: molequeue/inputgeneratorwidget.cpp:470 #: molequeue/inputgeneratorwidget.cpp:581 @@ -278,7 +313,7 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" -msgstr "" +msgstr "Output Error" #: molequeue/inputgeneratorwidget.cpp:471 #: molequeue/inputgeneratorwidget.cpp:582 @@ -290,27 +325,27 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." -msgstr "" +msgstr "Failed to write to file %1." #: molequeue/inputgeneratorwidget.cpp:482 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" -msgstr "" +msgstr "Select output directory" #: molequeue/inputgeneratorwidget.cpp:499 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" -msgstr "" +msgstr "%1: Directory does not exist!" #: molequeue/inputgeneratorwidget.cpp:505 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" -msgstr "" +msgstr "%1: Directory cannot be read!" #: molequeue/inputgeneratorwidget.cpp:515 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 @@ -319,7 +354,7 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." -msgstr "" +msgstr "%1: File will be overwritten." #: molequeue/inputgeneratorwidget.cpp:520 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 @@ -328,13 +363,13 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." -msgstr "" +msgstr "%1: File is not writable." #: molequeue/inputgeneratorwidget.cpp:533 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." -msgstr "" +msgstr "The input files cannot be written due to an unknown error." #: molequeue/inputgeneratorwidget.cpp:537 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 @@ -345,6 +380,9 @@ msgid "" "\n" "%1" msgstr "" +"The input files cannot be written:\n" +"\n" +"%1" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 @@ -359,6 +397,13 @@ msgid "" "\n" "%2" msgstr "" +"The input files cannot be written:\n" +"\n" +"%1\n" +"\n" +"Warnings:\n" +"\n" +"%2" #: molequeue/inputgeneratorwidget.cpp:557 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 @@ -371,80 +416,85 @@ msgid "" "\n" "Would you like to continue?" msgstr "" +"Warning:\n" +"\n" +"%1\n" +"\n" +"Would you like to continue?" #: molequeue/inputgeneratorwidget.cpp:561 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" -msgstr "" +msgstr "Write input files" #: molequeue/inputgeneratorwidget.cpp:608 msgid "Configure Job" -msgstr "" +msgstr "Configure Job" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" -msgstr "" +msgstr "Submitting job to MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" -msgstr "" +msgstr "Job Submission Timeout" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." -msgstr "" +msgstr "Avogadro timed out waiting for a reply from MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" -msgstr "" +msgstr "Waiting for job %1 “%2” to finish…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" -msgstr "" +msgstr "Stop waiting" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" -msgstr "" +msgstr "Fetching completed job information…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" -msgstr "" +msgstr "Job Retrieval Timeout" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." -msgstr "" +msgstr "Avogadro timed out waiting for the finished job details from MoleQueue." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" -msgstr "" +msgstr "Error Submitting Job" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" -msgstr "" +msgstr "The job has been rejected by MoleQueue: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." -msgstr "" +msgstr "No program selected." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." -msgstr "" +msgstr "Please select the target program from the \"Queue and Program\" list." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." -msgstr "" +msgstr "Client failed to submit job to MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." -msgstr "" +msgstr "Internal error." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." -msgstr "" +msgstr "Unable to resolve program selection. This is a bug." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" @@ -452,7 +502,7 @@ msgstr "No molecule set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" -msgstr "" +msgstr "No Io::FileFormat set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" @@ -460,11 +510,11 @@ msgstr "No file name set in BackgroundFileFormat!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" -msgstr "" +msgstr "Split Horizontal" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" -msgstr "" +msgstr "Split Vertical" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) @@ -520,7 +570,7 @@ msgstr "Magnesium" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" -msgstr "Aluminum" +msgstr "Aluminium" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" @@ -532,7 +582,7 @@ msgstr "Phosphorus" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" -msgstr "Sulfur" +msgstr "Sulphur" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" @@ -692,7 +742,7 @@ msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" -msgstr "Cesium" +msgstr "Caesium" #: qtgui/elementtranslator.cpp:184 msgid "Barium" @@ -947,121 +997,122 @@ msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:27 -#, fuzzy msgid "Browse" -msgstr "Browse..." +msgstr "Browse" #: qtgui/filebrowsewidget.cpp:101 msgid "Select file:" -msgstr "" +msgstr "Select file:" #: qtgui/filebrowsewidget.cpp:104 msgid "Select executable:" -msgstr "" +msgstr "Select executable:" #: qtgui/fileformatdialog.cpp:48 msgid "" "The file name contains invalid characters. Please choose another file name." msgstr "" +"The file name contains invalid characters. Please choose another file name." #: qtgui/fileformatdialog.cpp:60 msgid "Unable to find a suitable file reader for the selected file." -msgstr "" +msgstr "Unable to find a suitable file reader for the selected file." #: qtgui/fileformatdialog.cpp:108 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" +"The file extension is missing, so the format cannot be determined. Do you " +"want to add it?" #: qtgui/fileformatdialog.cpp:122 msgid "Unable to find a suitable file writer for the selected format." -msgstr "" +msgstr "Unable to find a suitable file writer for the selected format." #: qtgui/fileformatdialog.cpp:171 msgctxt "File handlers" msgid "handlers" -msgstr "" +msgstr "handlers" #: qtgui/fileformatdialog.cpp:172 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" -msgstr "" +msgstr "handle" #: qtgui/fileformatdialog.cpp:176 msgctxt "File readers" msgid "readers" -msgstr "" +msgstr "readers" #: qtgui/fileformatdialog.cpp:177 msgctxt "e.g. file readers that can 'read' this file." msgid "read" -msgstr "" +msgstr "read" #: qtgui/fileformatdialog.cpp:181 msgctxt "File writers" msgid "writers" -msgstr "" +msgstr "writers" #: qtgui/fileformatdialog.cpp:182 msgctxt "e.g. file writers that can 'write' this file." msgid "write" -msgstr "" +msgstr "write" #: qtgui/fileformatdialog.cpp:187 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" -msgstr "" +msgstr "Multiple %1 found that can %2 this format. Which should be used?" #: qtgui/fileformatdialog.cpp:287 -#, fuzzy -#| msgid "All Files" msgid "All files" -msgstr "All Files" +msgstr "All files" #: qtgui/fileformatdialog.cpp:290 msgid "All supported formats" -msgstr "" +msgstr "All supported formats" #: qtgui/interfacescript.cpp:225 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" -msgstr "" +msgstr "Error reading molecule representation: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:510 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" +"Error writing molecule representation to string: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:518 #, qt-format msgid "Error writing molecule representation to string: %1" -msgstr "" +msgstr "Error writing molecule representation to string: %1" #: qtgui/jsonwidget.cpp:55 msgid "'userOptions' missing." -msgstr "" +msgstr "'userOptions' missing." #: qtgui/jsonwidget.cpp:86 #, qt-format msgid "Option '%1' does not refer to an object." -msgstr "" +msgstr "Option '%1' does not refer to an object." #: qtgui/jsonwidget.cpp:93 #, qt-format msgid "'type' is not a string for option '%1'." -msgstr "" +msgstr "'type' is not a string for option '%1'." #: qtgui/jsonwidget.cpp:100 -#, fuzzy, qt-format +#, qt-format msgid "Could not find option '%1'." -msgstr "Could not run povray." +msgstr "Could not find option '%1'." #: qtgui/jsonwidget.cpp:154 #, qt-format msgid "Tab %1" -msgstr "" +msgstr "Tab %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) @@ -1071,20 +1122,19 @@ msgstr "Title" #: qtgui/jsonwidget.cpp:181 msgid "Filename Base" -msgstr "" +msgstr "Filename Base" #: qtgui/jsonwidget.cpp:186 msgid "Processor Cores" -msgstr "" +msgstr "Processor Cores" #: qtgui/jsonwidget.cpp:191 msgid "Calculation Type" -msgstr "" +msgstr "Calculation Type" #: qtgui/jsonwidget.cpp:195 -#, fuzzy msgid "Theory" -msgstr "Theory:" +msgstr "Theory" #: qtgui/jsonwidget.cpp:195 msgid "Basis" @@ -1092,33 +1142,33 @@ msgstr "Basis" #: qtgui/jsonwidget.cpp:200 qtgui/jsonwidget.cpp:204 msgid "Charge" -msgstr "" +msgstr "Charge" #: qtgui/jsonwidget.cpp:201 qtgui/jsonwidget.cpp:206 msgid "Multiplicity" -msgstr "" +msgstr "Multiplicity" #: qtgui/jsonwidget.cpp:525 #, qt-format msgid "Error: value must be object for key '%1'." -msgstr "" +msgstr "Error: value must be object for key '%1'." #: qtgui/jsonwidget.cpp:556 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." -msgstr "" +msgstr "Unrecognized option type '%1' for option '%2'." #: qtgui/jsonwidget.cpp:565 qtgui/jsonwidget.cpp:600 qtgui/jsonwidget.cpp:622 #: qtgui/jsonwidget.cpp:643 qtgui/jsonwidget.cpp:665 qtgui/jsonwidget.cpp:686 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." -msgstr "" +msgstr "Error setting default for option '%1'. Bad widget type." #: qtgui/jsonwidget.cpp:572 qtgui/jsonwidget.cpp:607 qtgui/jsonwidget.cpp:629 #: qtgui/jsonwidget.cpp:650 qtgui/jsonwidget.cpp:672 qtgui/jsonwidget.cpp:693 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" -msgstr "" +msgstr "Error setting default for option '%1'. Bad default value:" #: qtgui/jsonwidget.cpp:586 #, qt-format @@ -1126,74 +1176,71 @@ msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" +"Error setting default for option '%1'. Could not find valid combo entry " +"index from value:" #: qtgui/jsonwidget.cpp:754 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." -msgstr "" +msgstr "Unhandled widget in collectOptions for option '%1'." #: qtgui/jsonwidget.cpp:796 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:395 -#, fuzzy msgid "[no molecule]" -msgstr "No molecule set" +msgstr "[no molecule]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" -msgstr "" +msgstr "Layer %1" #: qtgui/layermodel.cpp:135 qtplugins/ballandstick/ballandstick.h:29 msgid "Ball and Stick" msgstr "Ball and Stick" #: qtgui/layermodel.cpp:137 qtplugins/cartoons/cartoons.h:30 -#, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" -msgstr "Cartoon" +msgstr "Cartoons" #: qtgui/layermodel.cpp:139 qtplugins/closecontacts/closecontacts.h:30 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" -msgstr "" +msgstr "Close Contacts" #: qtgui/layermodel.cpp:141 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" -msgstr "" +msgstr "Crystal Lattice" #: qtgui/layermodel.cpp:143 qtplugins/force/force.h:28 msgid "Force" msgstr "Force" #: qtgui/layermodel.cpp:145 qtplugins/label/label.h:25 -#, fuzzy msgid "Labels" -msgstr "Label" +msgstr "Labels" #: qtgui/layermodel.cpp:147 qtplugins/licorice/licorice.h:29 msgctxt "stick / licorice rendering" msgid "Licorice" -msgstr "" +msgstr "Licorice" #: qtgui/layermodel.cpp:149 qtplugins/meshes/meshes.h:29 msgid "Meshes" -msgstr "" +msgstr "Meshes" #: qtgui/layermodel.cpp:151 qtplugins/noncovalent/noncovalent.h:30 -#, fuzzy -#| msgid "Covalent" msgid "Non-Covalent" -msgstr "Covalent" +msgstr "Non-Covalent" #: qtgui/layermodel.cpp:153 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" -msgstr "" +msgstr "QTAIM" #: qtgui/layermodel.cpp:155 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" -msgstr "" +msgstr "Symmetry Elements" #: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 @@ -1201,10 +1248,9 @@ msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:159 qtplugins/vanderwaalsao/vanderwaalsao.h:29 -#, fuzzy msgctxt "ambient occlusion" msgid "Van der Waals (AO)" -msgstr "Van der Waals" +msgstr "Van der Waals (AO)" #: qtgui/layermodel.cpp:161 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" @@ -1216,7 +1262,7 @@ msgstr "Untitled" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" -msgstr "" +msgstr "Create a new view" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" @@ -1225,7 +1271,7 @@ msgstr "Periodic Table" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." -msgstr "" +msgstr "Error running script '%1 %2': Timed out waiting for start (%3)." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format @@ -1233,11 +1279,13 @@ msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" +"Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " +"bytes, QProcess error: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." -msgstr "" +msgstr "Error running script '%1 %2': Timed out waiting for finish (%3)." #: qtgui/pythonscript.cpp:136 #, qt-format @@ -1247,67 +1295,68 @@ msgid "" "Output:\n" "%6" msgstr "" +"Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" +"\n" +"Output:\n" +"%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" -msgstr "" +msgstr "Warning '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." -msgstr "" +msgstr "Script failed to start." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." -msgstr "" +msgstr "Script crashed." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." -msgstr "" +msgstr "Script timed out." #: qtgui/pythonscript.cpp:276 msgid "Read error." -msgstr "" +msgstr "Read error." #: qtgui/pythonscript.cpp:279 msgid "Write error." -msgstr "" +msgstr "Write error." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." -msgstr "" +msgstr "Unknown error." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:105 #: qtgui/rwlayermanager.cpp:131 msgid "Modify Layers" -msgstr "" +msgstr "Modify Layers" #: qtgui/rwlayermanager.cpp:194 -#, fuzzy msgid "Remove Layer" -msgstr "Remove Hydrogens" +msgstr "Remove Layer" #: qtgui/rwlayermanager.cpp:201 -#, fuzzy msgid "Remove Layer Info" -msgstr "Remove Hydrogens" +msgstr "Remove Layer Info" #: qtgui/rwlayermanager.cpp:210 msgid "Add Layer" -msgstr "" +msgstr "Add Layer" #: qtgui/rwlayermanager.cpp:213 msgid "Add Layer Info" -msgstr "" +msgstr "Add Layer Info" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 #: qtplugins/select/select.cpp:527 #: qtplugins/selectiontool/selectiontool.cpp:254:1567 -#, fuzzy msgid "Change Layer" -msgstr "Change Bond Order" +msgstr "Change Layer" #: qtgui/rwmolecule.cpp:38 qtgui/rwmolecule.cpp:47 msgid "Add Atom" @@ -1320,7 +1369,7 @@ msgstr "Remove Atom" #: qtgui/rwmolecule.cpp:94 msgid "Clear Atoms" -msgstr "" +msgstr "Clear Atoms" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) @@ -1329,9 +1378,8 @@ msgid "Adjust Hydrogens" msgstr "Adjust Hydrogens" #: qtgui/rwmolecule.cpp:142 -#, fuzzy msgid "Change Elements" -msgstr "Change Element" +msgstr "Change Elements" #: qtgui/rwmolecule.cpp:154 msgid "Change Element" @@ -1339,20 +1387,19 @@ msgstr "Change Element" #: qtgui/rwmolecule.cpp:220 msgid "Change Atom Hybridization" -msgstr "" +msgstr "Change Atom Hybridization" #: qtgui/rwmolecule.cpp:232 msgid "Change Atom Formal Charge" -msgstr "" +msgstr "Change Atom Formal Charge" #: qtgui/rwmolecule.cpp:244 msgid "Change Atom Color" -msgstr "" +msgstr "Change Atom Color" #: qtgui/rwmolecule.cpp:256 -#, fuzzy msgid "Change Atom Layer" -msgstr "Change Bond Order" +msgstr "Change Atom Layer" #: qtgui/rwmolecule.cpp:272 msgid "Add Bond" @@ -1360,79 +1407,72 @@ msgstr "Add Bond" #: qtgui/rwmolecule.cpp:298 msgid "Removed Bond" -msgstr "" +msgstr "Removed Bond" #: qtgui/rwmolecule.cpp:305 -#, fuzzy msgid "Clear Bonds" -msgstr "Delete Bond" +msgstr "Clear Bonds" #: qtgui/rwmolecule.cpp:320 -#, fuzzy msgid "Set Bond Orders" -msgstr "Bond Order" +msgstr "Set Bond Orders" #: qtgui/rwmolecule.cpp:332 msgid "Change Bond Order" msgstr "Change Bond Order" #: qtgui/rwmolecule.cpp:355 -#, fuzzy msgid "Update Bonds" -msgstr " Snap-to Bonds" +msgstr "Update Bonds" #: qtgui/rwmolecule.cpp:374 msgid "Update Bond" -msgstr "" +msgstr "Update Bond" #: qtgui/rwmolecule.cpp:394 -#, fuzzy msgid "Add Unit Cell" -msgstr "Fill Unit Cell" +msgstr "Add &Unit Cell" #: qtgui/rwmolecule.cpp:407 -#, fuzzy msgid "Remove Unit Cell" -msgstr "Fill Unit Cell" +msgstr "Remove &Unit Cell" #: qtgui/rwmolecule.cpp:472 msgid "Edit Unit Cell" -msgstr "" +msgstr "Edit Unit Cell" #: qtgui/rwmolecule.cpp:489 msgid "Wrap Atoms to Cell" -msgstr "" +msgstr "&Wrap Atoms to Cell" #: qtgui/rwmolecule.cpp:512 msgid "Scale Cell Volume" -msgstr "" +msgstr "Scale Cell Volume" #: qtgui/rwmolecule.cpp:532 -#, fuzzy msgid "Build Super Cell" -msgstr "Super Cell" +msgstr "Build Super Cell" #: qtgui/rwmolecule.cpp:556 msgid "Niggli Reduction" -msgstr "" +msgstr "Niggli Reduction" #: qtgui/rwmolecule.cpp:578 msgid "Rotate to Standard Orientation" -msgstr "" +msgstr "Rotate to Standard Orientation" #: qtgui/rwmolecule.cpp:603 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" -msgstr "" +msgstr "Reduce to Primitive" #: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" -msgstr "" +msgstr "Conventionalize Cell" #: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 -#, fuzzy msgid "Symmetrize Cell" -msgstr "Super Cell" +msgstr "Symmetrize Cell" #: qtgui/rwmolecule.cpp:672 msgid "Fill Unit Cell" @@ -1440,46 +1480,41 @@ msgstr "Fill Unit Cell" #: qtgui/rwmolecule.cpp:692 msgid "Reduce Cell to Asymmetric Unit" -msgstr "" +msgstr "Reduce Cell to Asymmetric Unit" #: qtgui/rwmolecule.h:214 -#, fuzzy msgid "Change Atom Positions" -msgstr "Change Bond Order" +msgstr "Change Atom Positions" #: qtgui/rwmolecule.h:224 -#, fuzzy msgid "Change Atom Position" -msgstr "Change Bond Order" +msgstr "Change Atom Position" #: qtgui/rwmolecule.h:228 -#, fuzzy msgid "Change Atom Label" -msgstr "Change Bond Order" +msgstr "Change Atom Label" #: qtgui/rwmolecule.h:234 -#, fuzzy -#| msgid "Ignore Selection" msgid "Change Selection" -msgstr "Ignore Selection" +msgstr "Change Selection" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" -msgstr "" +msgstr "Modify Molecule" #: qtgui/scriptloader.cpp:41 #, qt-format msgid "Cannot load script %1" -msgstr "" +msgstr "Cannot load script %1" #: qtgui/scriptloader.cpp:68 #, qt-format msgid "Checking for %1 scripts in path %2" -msgstr "" +msgstr "Checking for %1 scripts in path %2" #: qtplugins/3dmol/3dmol.cpp:41 msgid "3DMol HTML Block." -msgstr "" +msgstr "3DMol HTML Block." #: qtplugins/3dmol/3dmol.cpp:51 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:43 @@ -1498,7 +1533,7 @@ msgstr "&Export" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" -msgstr "" +msgstr "ThreeDMol" #: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 msgid "Align" @@ -1514,38 +1549,37 @@ msgid "" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" +"Align Molecules\n" +"\n" +"Left Mouse: \tSelect up to two atoms.\n" +"\tThe first atom is centred at the origin.\n" +"\tThe second atom is aligned to the selected axis.\n" +"Right Mouse: \tReset alignment.\n" +"Double-Click: \tCentre the atom at the origin." #: qtplugins/aligntool/aligntool.cpp:75 msgid "Axis:" msgstr "Axis:" #: qtplugins/aligntool/aligntool.cpp:152 -#, fuzzy -#| msgid "Align Settings" msgid "Align at Origin" -msgstr "Align Settings" +msgstr "Align at Origin" #: qtplugins/aligntool/aligntool.cpp:188 -#, fuzzy -#| msgid "Align Settings" msgid "Align to Axis" -msgstr "Align Settings" +msgstr "Align to Axis" #: qtplugins/aligntool/aligntool.cpp:304 -#, fuzzy -#| msgid "Renders the x, y, and z axes at the origin" msgid "Center the atom at the origin." -msgstr "Renders the x, y, and z axes at the origin" +msgstr "Center the atom at the origin." #: qtplugins/aligntool/aligntool.cpp:307 msgid "Rotate the molecule to align the atom to the specified axis." -msgstr "" +msgstr "Rotate the molecule to align the atom to the specified axis." #: qtplugins/aligntool/aligntool.h:30 -#, fuzzy -#| msgid "Align" msgid "Align tool" -msgstr "Align" +msgstr "Align tool" #: qtplugins/aligntool/aligntool.h:33 msgid "Align molecules to a Cartesian axis" @@ -1553,11 +1587,11 @@ msgstr "Align molecules to a Cartesian axis" #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" -msgstr "" +msgstr "Run APBS…" #: qtplugins/apbs/apbs.cpp:36 msgid "Open Output File…" -msgstr "" +msgstr "Open Output File…" #: qtplugins/apbs/apbs.cpp:49 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:52 @@ -1565,70 +1599,69 @@ msgstr "" #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:71 msgid "&Input" -msgstr "" +msgstr "&Input" #: qtplugins/apbs/apbs.cpp:49 msgid "&APBS" -msgstr "" +msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:61 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:72 #: qtplugins/quantuminput/quantuminput.cpp:95 msgid "Open Output File" -msgstr "" +msgstr "Open Output File" #: qtplugins/apbs/apbs.cpp:62 msgid "OpenDX File (*.dx)" -msgstr "" +msgstr "OpenDX File (*.dx)" #: qtplugins/apbs/apbs.cpp:115 -#, fuzzy msgid "IO Error" -msgstr "Error" +msgstr "IO Error" #: qtplugins/apbs/apbs.cpp:116 #, qt-format msgid "Error reading structure file (%1)." -msgstr "" +msgstr "Error reading structure file (%1)." #: qtplugins/apbs/apbs.cpp:136 qtplugins/apbs/apbs.cpp:143 msgid "OpenDX Error" -msgstr "" +msgstr "OpenDX Error" #: qtplugins/apbs/apbs.cpp:137 #, qt-format msgid "Error reading OpenDX file: %1" -msgstr "" +msgstr "Error reading OpenDX file: %1" #: qtplugins/apbs/apbs.cpp:144 msgid "Error reading OpenDX file: No cube found" -msgstr "" +msgstr "Error reading OpenDX file: No cube found" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:31:84 msgid "APBS" -msgstr "" +msgstr "APBS" #: qtplugins/apbs/apbs.h:34 msgid "Interact with APBS utilities." -msgstr "" +msgstr "Interact with APBS utilities." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" -msgstr "" +msgstr "Open PDB File" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" -msgstr "" +msgstr "PDB Files (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" -msgstr "" +msgstr "Open PQR File" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" -msgstr "" +msgstr "PQR Files (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:104 @@ -1653,67 +1686,59 @@ msgstr "Error" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" -msgstr "" +msgstr "Error running APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" -msgstr "" +msgstr "Please specify PDB file" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" -msgstr "" +msgstr "Save APBS Input File" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "ABPS Input (*.in)" -msgstr "" +msgstr "ABPS Input (*.in)" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:144 -#, fuzzy msgid "Success" -msgstr "Success!" +msgstr "Success" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" -msgstr "" +msgstr "Input file written to '%1'" #: qtplugins/applycolors/applycolors.cpp:43 #: qtplugins/applycolors/applycolors.cpp:64 -#, fuzzy msgid "By Custom Color…" -msgstr "Custom Colour" +msgstr "By Custom Colour…" #: qtplugins/applycolors/applycolors.cpp:48 -#, fuzzy msgid "By Atomic Index" -msgstr "Atom Indices" +msgstr "By Atomic Index" #: qtplugins/applycolors/applycolors.cpp:53 -#, fuzzy msgid "By Distance" -msgstr "Distance" +msgstr "By Distance" #: qtplugins/applycolors/applycolors.cpp:58 -#, fuzzy msgid "By Element" -msgstr "Element" +msgstr "By Element" #: qtplugins/applycolors/applycolors.cpp:69 msgid "By Chain" -msgstr "" +msgstr "By Chain" #: qtplugins/applycolors/applycolors.cpp:74 -#, fuzzy -#| msgid "Partial charge" msgid "By Partial Charge…" -msgstr "Partial charge" +msgstr "By Partial Charge…" #: qtplugins/applycolors/applycolors.cpp:79 -#, fuzzy msgid "By Secondary Structure" -msgstr "Renders protein secondary structure" +msgstr "By Secondary Structure" #: qtplugins/applycolors/applycolors.cpp:84 msgid "By Amino Acid" @@ -1721,7 +1746,7 @@ msgstr "By Amino Acid" #: qtplugins/applycolors/applycolors.cpp:89 msgid "By Shapely Scheme" -msgstr "" +msgstr "By Shapely Scheme" #: qtplugins/applycolors/applycolors.cpp:104 #: qtplugins/applycolors/applycolors.cpp:207 @@ -1729,25 +1754,25 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" -msgstr "" +msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:106 #: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" -msgstr "" +msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" -msgstr "" +msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" -msgstr "" +msgstr "Grey" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 @@ -1755,7 +1780,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" -msgstr "" +msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 @@ -1763,7 +1788,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" -msgstr "" +msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 @@ -1771,7 +1796,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" -msgstr "" +msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 @@ -1779,7 +1804,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" -msgstr "" +msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 @@ -1787,7 +1812,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" -msgstr "" +msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1797,11 +1822,9 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 #: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 -#, fuzzy -#| msgid "Spectra" msgctxt "colormap" msgid "Spectral" -msgstr "Spectra" +msgstr "Spectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1811,7 +1834,7 @@ msgstr "Spectra" #: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" -msgstr "" +msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1819,11 +1842,9 @@ msgstr "" #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 -#, fuzzy -#| msgid "Cancel" msgctxt "colormap" msgid "Balance" -msgstr "Cancel" +msgstr "Balance" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1833,7 +1854,7 @@ msgstr "Cancel" #: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" -msgstr "" +msgstr "Blue-DarkRed" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1845,11 +1866,11 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" -msgstr "" +msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:138 msgid "Apply color schemes to atoms and residues." -msgstr "" +msgstr "Apply colour schemes to atoms and residues." #: qtplugins/applycolors/applycolors.cpp:149 #: qtplugins/applycolors/applycolors.cpp:151 qtplugins/focus/focus.cpp:42 @@ -1859,21 +1880,17 @@ msgid "&View" msgstr "&View" #: qtplugins/applycolors/applycolors.cpp:149 -#, fuzzy msgid "Color Atoms" -msgstr "Colours" +msgstr "Colour Atoms" #: qtplugins/applycolors/applycolors.cpp:151 -#, fuzzy msgid "Color Residues" -msgstr "Colour by Residue" +msgstr "Colour Residues" #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305 -#, fuzzy -#| msgid "Selected Colors" msgid "Select Colormap" -msgstr "Selected Colours" +msgstr "Select Colourmap" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) @@ -1881,46 +1898,38 @@ msgstr "Selected Colours" #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 -#, fuzzy -#| msgid "Color:" msgid "Colormap:" -msgstr "Colour:" +msgstr "Colourmap:" #: qtplugins/applycolors/applycolors.h:29 -#, fuzzy msgid "ApplyColors" -msgstr "Colours" +msgstr "ApplyColours" #: qtplugins/ballandstick/ballandstick.cpp:91 -#, fuzzy msgid "Atom scale" -msgstr "Atom Labels" +msgstr "Atom scale" #: qtplugins/ballandstick/ballandstick.cpp:100 -#, fuzzy msgid "Bond scale" -msgstr "Bond Angle" +msgstr "Bond scale" #: qtplugins/ballandstick/ballandstick.cpp:103 #: qtplugins/wireframe/wireframe.cpp:92 -#, fuzzy msgid "Show multiple bonds" -msgstr "Show Multiple Bonds" +msgstr "Show multiple bonds" #: qtplugins/ballandstick/ballandstick.cpp:109 #: qtplugins/wireframe/wireframe.cpp:98 -#, fuzzy msgid "Show hydrogens" -msgstr "Hydrogens" +msgstr "Show hydrogens" #: qtplugins/ballandstick/ballandstick.h:33 msgid "Render atoms as spheres and bonds as cylinders." -msgstr "" +msgstr "Render atoms as spheres and bonds as cylinders." #: qtplugins/bondcentrictool/bondcentrictool.cpp:121 -#, fuzzy msgid "Bond-Centric Manipulation" -msgstr "Bond Centric Manipulation" +msgstr "Bond-Centric Manipulation" #: qtplugins/bondcentrictool/bondcentrictool.cpp:124 msgid "" @@ -1935,6 +1944,16 @@ msgid "" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" +"Bond Centric Manipulation Tool\n" +"\n" +"Left Mouse: \tClick and drag to rotate the view.\n" +"Middle Mouse: \tClick and drag to zoom in or out.\n" +"Right Mouse: \tClick and drag to move the view.\n" +"Double-Click: \tReset the view.\n" +"\n" +"Left Click & Drag on a Bond to set the Manipulation Plane:\n" +"Left Click & Drag one of the Atoms in the Bond to change the angle\n" +"Right Click & Drag one of the Atoms in the Bond to change the length" #: qtplugins/bondcentrictool/bondcentrictool.cpp:776 #: qtplugins/bondcentrictool/bondcentrictool.cpp:864 @@ -1943,7 +1962,7 @@ msgstr "" #: qtplugins/measuretool/measuretool.cpp:212 #, qt-format msgid "%L1°" -msgstr "" +msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:798 #: qtplugins/editor/editor.cpp:260 qtplugins/measuretool/measuretool.cpp:219 @@ -1951,40 +1970,37 @@ msgstr "" #: qtplugins/measuretool/measuretool.cpp:222 #, qt-format msgid "%L1 Å" -msgstr "" +msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:168 -#, fuzzy msgid "Bond centric manipulation tool." -msgstr "Bond Centric Manipulation" +msgstr "Bond centric manipulation tool." #: qtplugins/bondcentrictool/bondcentrictool.h:173 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" +"Tool used to edit molecular geometry by changing bond lengths and angles." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" -msgstr "" +msgstr "Bond Atoms" #: qtplugins/bonding/bonding.cpp:29 -#, fuzzy msgid "Perceive Bond Orders" -msgstr "Perceive bonds?" +msgstr "Perceive Bond Orders" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" -msgstr "" +msgstr "Remove Bonds" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" -msgstr "" +msgstr "Configure Bonding…" #: qtplugins/bonding/bonding.cpp:32 -#, fuzzy -#| msgid "Fix Selected Atoms" msgid "Bond Selected Atoms" -msgstr "Fix Selected Atoms" +msgstr "Bond Selected Atoms" #: qtplugins/bonding/bonding.cpp:63 qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 @@ -1997,33 +2013,30 @@ msgstr "&Build" #: qtplugins/bonding/bonding.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:422 -#, fuzzy msgid "Bond" msgstr "Bond" #: qtplugins/bonding/bonding.cpp:74 msgid "Remove bonds from all or selected atoms." -msgstr "" +msgstr "Remove bonds from all or selected atoms." #: qtplugins/bonding/bonding.cpp:76 msgid "Create bonds between all or selected atoms." -msgstr "" +msgstr "Create bonds between all or selected atoms." #: qtplugins/bonding/bonding.cpp:77 -#, fuzzy msgid "Perceive bond orders." -msgstr "Perceive bonds?" +msgstr "Perceive bond orders." #: qtplugins/bonding/bonding.h:32 msgid "Bonding" -msgstr "" +msgstr "Bonding" #: qtplugins/bonding/bonding.h:36 msgid "Perform bonding operations." -msgstr "" +msgstr "Perform bonding operations." #: qtplugins/cartoons/cartoons.cpp:93 -#, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Backbone" @@ -2031,27 +2044,24 @@ msgstr "Backbone" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Trace" -msgstr "" +msgstr "Trace" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Tube" -msgstr "" +msgstr "Tube" #: qtplugins/cartoons/cartoons.cpp:96 -#, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Ribbon" #: qtplugins/cartoons/cartoons.cpp:97 -#, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" -msgstr "Cartoon" +msgstr "Simple Cartoon" #: qtplugins/cartoons/cartoons.cpp:98 -#, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Cartoon" @@ -2059,38 +2069,32 @@ msgstr "Cartoon" #: qtplugins/cartoons/cartoons.cpp:99 msgctxt "protein rendering style" msgid "Rope" -msgstr "" +msgstr "Rope" #: qtplugins/cartoons/cartoons.h:34 msgid "Display of biomolecule ribbons / cartoons." -msgstr "" +msgstr "Display of biomolecule ribbons/cartoons." #: qtplugins/centroid/centroid.cpp:20 -#, fuzzy -#| msgid "Add Constraints" msgid "Add Centroid" -msgstr "Add Constraints" +msgstr "Add Centroid" #: qtplugins/centroid/centroid.cpp:21 -#, fuzzy -#| msgid "Add Constraints" msgid "Add Center of Mass" -msgstr "Add Constraints" +msgstr "Add Centre of Mass" #: qtplugins/centroid/centroid.cpp:23 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" -msgstr "" +msgstr "Add Perpendicular" #: qtplugins/centroid/centroid.h:26 -#, fuzzy -#| msgid "Control" msgid "Centroid" -msgstr "Control" +msgstr "Centroid" #: qtplugins/centroid/centroid.h:30 msgid "Add centroids and center-of-mass." -msgstr "" +msgstr "Add centroids and centre-of-mass." #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) @@ -2119,42 +2123,39 @@ msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:215 #: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 msgid " Å" -msgstr "" +msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:232 #: qtplugins/noncovalent/noncovalent.cpp:369 -#, fuzzy msgid "Maximum distance:" -msgstr "Distance" +msgstr "Maximum distance:" #: qtplugins/closecontacts/closecontacts.cpp:233 #: qtplugins/crystal/crystalscene.cpp:133 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:88 msgid "Line width:" -msgstr "" +msgstr "Line width:" #: qtplugins/closecontacts/closecontacts.h:34 -#, fuzzy -#| msgid "Renders force displacements on atoms" msgid "Render close contacts between atoms." -msgstr "Renders force displacements on atoms" +msgstr "Render close contacts between atoms." #: qtplugins/closecontacts/closecontacts.h:52 msgid "Contact" -msgstr "" +msgstr "Contact" #: qtplugins/closecontacts/closecontacts.h:52 msgid "Salt Bridge" -msgstr "" +msgstr "Salt Bridge" #: qtplugins/closecontacts/closecontacts.h:52 msgid "Repulsive" -msgstr "" +msgstr "Repulsive" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" -msgstr "" +msgstr "Edit Colour Opacity Map…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 @@ -2168,15 +2169,14 @@ msgstr "&Extensions" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" -msgstr "" +msgstr "ColourOpacityMap" #: qtplugins/coloropacitymap/coloropacitymap.h:56 msgid "Edit color opacity maps, primarily for volume rendering." -msgstr "" +msgstr "Edit colour opacity maps, primarily for volume rendering." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:72 -#, fuzzy msgid "Scripts" msgstr "&Scripts" @@ -2191,103 +2191,100 @@ msgid "" "Error reading output file '%1':\n" "%2" msgstr "" +"Error reading output file '%1':\n" +"%2" #: qtplugins/commandscripts/command.cpp:194 #, qt-format msgid "Processing %1" -msgstr "" +msgstr "Processing %1" #: qtplugins/commandscripts/command.cpp:249 #: qtplugins/quantuminput/quantuminput.cpp:178 msgid "Set path to Python interpreter:" -msgstr "" +msgstr "Set path to Python interpreter:" #: qtplugins/commandscripts/command.cpp:251 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" +"Select the Python interpreter to run external scripts.\n" +"Avogadro must be restarted for any changes to take effect." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" -msgstr "" +msgstr "Command scripts" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" -msgstr "" +msgstr "Run external script commands" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 -#, fuzzy msgid "Atomic &Coordinate Editor…" -msgstr "Cartesian coordinates editor" +msgstr "Atomic &Coordinate Editor…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 -#, fuzzy msgid "Coordinate editor" -msgstr "Cartesian coordinates editor" +msgstr "Coordinate editor" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." -msgstr "" +msgstr "Text editing of atomic coordinates." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:224 msgid "Overwrite changes?" -msgstr "" +msgstr "Overwrite changes?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:225 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" +"The text document has been modified. Would you like to discard your changes " +"and revert to the current molecule?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:352 msgid "Too few entries on line." -msgstr "" +msgstr "Too few entries on line." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:368 msgid "Invalid element name." -msgstr "" +msgstr "Invalid element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:370 -#, fuzzy msgid "Element name." -msgstr "Element name" +msgstr "Element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:382 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:404 -#, fuzzy msgid "Invalid element symbol." -msgstr "Element symbol" +msgstr "Invalid element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:384 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:406 -#, fuzzy msgid "Element symbol." -msgstr "Element symbol" +msgstr "Element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:397 -#, fuzzy msgid "Invalid atom label." -msgstr "Atom Indices" +msgstr "Invalid atom label." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:415 -#, fuzzy msgid "Invalid atomic index." -msgstr "Atom Indices" +msgstr "Invalid atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:417 -#, fuzzy msgid "Atomic index." -msgstr "Atom Indices" +msgstr "Atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:427 msgid "Invalid atomic number." -msgstr "" +msgstr "Invalid atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:429 -#, fuzzy msgid "Atomic number." -msgstr "Atom number" +msgstr "Atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:438 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:449 @@ -2296,39 +2293,35 @@ msgstr "Atom number" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:482 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:493 msgid "Invalid coordinate." -msgstr "" +msgstr "Invalid coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:440 -#, fuzzy msgid "X coordinate." -msgstr "Cartesian coordinates" +msgstr "X coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:451 -#, fuzzy msgid "Y coordinate." -msgstr "Cartesian coordinates" +msgstr "Y coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:462 -#, fuzzy msgid "Z coordinate." -msgstr "Cartesian coordinates" +msgstr "Z coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:473 msgid "'a' lattice coordinate." -msgstr "" +msgstr "'a' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:484 msgid "'b' lattice coordinate." -msgstr "" +msgstr "'b' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:495 -#, fuzzy msgid "'c' lattice coordinate." -msgstr "Cartesian coordinates" +msgstr "'c' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:579 msgid "Error applying geometry" -msgstr "" +msgstr "Error applying geometry" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:580 msgid "" @@ -2337,10 +2330,14 @@ msgid "" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" +"Could not parse geometry specification. Fix the highlighted errors and try " +"again.\n" +"\n" +"(Hint: Hold the mouse over red text for a description of the error.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:615 msgid "Edit Atomic Coordinates" -msgstr "" +msgstr "Edit Atomic Coordinates" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) @@ -2349,68 +2346,65 @@ msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:633 #: qtplugins/label/label.cpp:158:1645 rc.cpp:1675 msgid "Custom" -msgstr "" +msgstr "Custom" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:634 msgid "XYZ format (symbols)" -msgstr "" +msgstr "XYZ format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:635 msgid "XYZ format (names)" -msgstr "" +msgstr "XYZ format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:636 msgid "XYZ format (atomic numbers)" -msgstr "" +msgstr "XYZ format (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:637 msgid "Lattice coordinates (symbols)" -msgstr "" +msgstr "Lattice coordinates (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 msgid "Lattice coordinates (names)" -msgstr "" +msgstr "Lattice coordinates (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "Lattice coordinates (atomic numbers)" -msgstr "" +msgstr "Lattice coordinates (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "GAMESS format (symbols)" -msgstr "" +msgstr "GAMESS format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "GAMESS format (names)" -msgstr "" +msgstr "GAMESS format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 -#, fuzzy msgid "Turbomole format" -msgstr "Turbomole Input" +msgstr "Turbomole format" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:31:240 -#, fuzzy msgid "Copy" -msgstr "Copy All" +msgstr "Copy" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:79 #: qtplugins/lineformatinput/lineformatinput.cpp:46 -#, fuzzy msgid "SMILES" -msgstr "SMILES..." +msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:33 qtplugins/copypaste/copypaste.cpp:79 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" -msgstr "" +msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:34:237 msgid "Cut" -msgstr "" +msgstr "Cut" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) @@ -2420,24 +2414,23 @@ msgstr "Clear" #: qtplugins/copypaste/copypaste.cpp:36 msgid "&Paste" -msgstr "" +msgstr "&Paste" #: qtplugins/copypaste/copypaste.cpp:80 qtplugins/copypaste/copypaste.cpp:82 msgid "&Edit" -msgstr "" +msgstr "&Edit" #: qtplugins/copypaste/copypaste.cpp:82 -#, fuzzy msgid "Copy As" -msgstr "Copy All" +msgstr "Copy As" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" -msgstr "" +msgstr "Error Clipping Molecule" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." -msgstr "" +msgstr "Error generating clipboard data." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format @@ -2446,6 +2439,8 @@ msgid "" "Output format: %1\n" "%2" msgstr "" +"Output format: %1\n" +"%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:274 #, qt-format @@ -2453,18 +2448,20 @@ msgid "" "Reader error:\n" "%1" msgstr "" +"Reader error:\n" +"%1" #: qtplugins/copypaste/copypaste.cpp:235 qtplugins/copypaste/copypaste.cpp:268 msgid "Error Pasting Molecule" -msgstr "" +msgstr "Error Pasting Molecule" #: qtplugins/copypaste/copypaste.cpp:236 msgid "Cannot paste molecule: Clipboard empty!" -msgstr "" +msgstr "Cannot paste molecule: Clipboard empty!" #: qtplugins/copypaste/copypaste.cpp:269 msgid "Error reading clipboard data." -msgstr "" +msgstr "Error reading clipboard data." #: qtplugins/copypaste/copypaste.cpp:270 #, qt-format @@ -2473,26 +2470,28 @@ msgid "" "Detected format: %1\n" "%2" msgstr "" +"Detected format: %1\n" +"%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" -msgstr "" +msgstr "Copy and paste" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." -msgstr "" +msgstr "Interact with the clipboard." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" -msgstr "" +msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" -msgstr "" +msgstr "CP2K input" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." -msgstr "" +msgstr "Generate input for CP2K." #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:83 @@ -2501,101 +2500,96 @@ msgstr "Energy" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" -msgstr "" +msgstr "Energy and Forces" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 -#, fuzzy msgid "Molecular Dynamics" -msgstr "Molecular Dynamics (300K)" +msgstr "Molecular Dynamics" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 -#, fuzzy msgid "Geometry Optimization" -msgstr "Geometric Optimization" +msgstr "Geometry Optimization" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" -msgstr "" +msgstr "Electronic structure methods (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 -#, fuzzy msgid "Molecular Mechanics" -msgstr "&Molecular Mechanics" +msgstr "Molecular Mechanics" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" -msgstr "" +msgstr "Hybrid quantum classical (Not yet supported)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" -msgstr "" +msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:719 msgid "NONE" -msgstr "" +msgstr "NONE" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1291 msgid "PME" -msgstr "" +msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" -msgstr "" +msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" -msgstr "" +msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" -msgstr "" +msgstr "CORE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" -msgstr "" +msgstr "DENSITIES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" -msgstr "" +msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" -msgstr "" +msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" -msgstr "" +msgstr "RANDOM" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" -msgstr "" +msgstr "RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" -msgstr "" +msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" -msgstr "" +msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 -#, fuzzy msgid "Conjugate Gradients" msgstr "Conjugate Gradients" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" -msgstr "" +msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 -#, fuzzy msgid "Steepest descent" -msgstr "Steepest Descent" +msgstr "Steepest descent" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 @@ -2603,129 +2597,128 @@ msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" +"The input file has been modified. Would you like to overwrite your changes " +"to reflect the new geometry or job options?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:422 msgid "Overwrite modified input file?" -msgstr "" +msgstr "Overwrite modified input file?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:948 msgid "Save CP2K input file" -msgstr "" +msgstr "Save CP2K input file" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:997 msgid "Submit CP2K Calculation" -msgstr "" +msgstr "Submit CP2K Calculation" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" -msgstr "" +msgstr "I&mport Crystal from Clipboard…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" -msgstr "" +msgstr "Toggle Unit Cell" #: qtplugins/crystal/crystal.cpp:52 -#, fuzzy msgid "Edit Unit Cell…" -msgstr "Fill Unit Cell" +msgstr "Edit Unit Cell…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" -msgstr "" +msgstr "&Wrap Atoms to Unit Cell" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" -msgstr "" +msgstr "Rotate to Standard &Orientation" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" -msgstr "" +msgstr "Scale Cell &Volume…" #: qtplugins/crystal/crystal.cpp:74 -#, fuzzy msgid "Build &Supercell…" -msgstr "Super Cell" +msgstr "Build &Supercell…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" -msgstr "" +msgstr "Reduce Cell (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" -msgstr "" +msgstr "&Crystal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" -msgstr "" +msgstr "Remove &Unit Cell" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" -msgstr "" +msgstr "Add &Unit Cell" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" -msgstr "" +msgstr "I&mport Crystal from Clipboard" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." -msgstr "" +msgstr "Wrap atoms into the unit cell." #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." -msgstr "" +msgstr "Rotate the unit cell to the standard orientation." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" -msgstr "" +msgstr "Niggli Reduce Crystal" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." -msgstr "" +msgstr "The unit cell is already reduced." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" -msgstr "" +msgstr "Crystal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." -msgstr "" +msgstr "Tools for crystal-specific editing/analysis." #: qtplugins/crystal/crystalscene.cpp:138 -#, fuzzy msgid "Line color:" -msgstr "Amino Colours" +msgstr "Line colour:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." -msgstr "" +msgstr "Render the unit cell boundaries." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" -msgstr "" +msgstr "Cannot Parse Text" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." -msgstr "" +msgstr "Failed to read the data with the supplied format." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." -msgstr "" +msgstr "No unit cell present." #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" -msgstr "" +msgstr "Reassign &Custom Elements…" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." -msgstr "" +msgstr "Manipulate custom element types in the current molecule." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" -msgstr "" +msgstr "Custom Elements" #: qtplugins/editor/editor.cpp:71 qtplugins/editor/editor.cpp:110 msgid "Draw" @@ -2738,6 +2731,10 @@ msgid "" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" +"Draw Tool\n" +"\n" +"Left Mouse: \tClick and Drag to create Atoms and Bond\n" +"Right Mouse: \tDelete Atom" #: qtplugins/editor/editor.cpp:104 msgid "Draw Atom" @@ -2745,32 +2742,29 @@ msgstr "Draw Atom" #: qtplugins/editor/editor.cpp:114 msgid "Change Bond Type" -msgstr "" +msgstr "Change Bond Type" #: qtplugins/editor/editor.cpp:127 msgid "Remove Bond" -msgstr "" +msgstr "Remove Bond" #: qtplugins/editor/editor.cpp:255 qtplugins/measuretool/measuretool.cpp:193 #: qtplugins/measuretool/measuretool.cpp:218 -#, fuzzy msgid "Distance:" -msgstr "Distance" +msgstr "Distance:" #: qtplugins/editor/editor.cpp:258 #, qt-format msgid "%1 %L2" -msgstr "" +msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" -msgstr "" +msgstr "Editor tool" #: qtplugins/editor/editortoolwidget.cpp:129 -#, fuzzy -#| msgid "Other" msgid "Other…" -msgstr "Other" +msgstr "Other…" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) @@ -2778,7 +2772,7 @@ msgstr "Other" #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1624 rc.cpp:1642 msgid "Automatic" -msgstr "" +msgstr "Automatic" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" @@ -2799,18 +2793,17 @@ msgid "&Import" msgstr "&Import" #: qtplugins/fetchpdb/fetchpdb.cpp:61 -#, fuzzy msgid "Fetch PDB" -msgstr "Fetch from PDB..." +msgstr "Fetch PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" -msgstr "" +msgstr "Could not read the PDB molecule: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:80 msgid "PDB Code" -msgstr "" +msgstr "PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:81 #: qtplugins/networkdatabases/networkdatabases.cpp:76 @@ -2821,7 +2814,7 @@ msgstr "Chemical structure to download." #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" -msgstr "" +msgstr "Querying for %1" #: qtplugins/fetchpdb/fetchpdb.cpp:104 qtplugins/fetchpdb/fetchpdb.cpp:122 #: qtplugins/networkdatabases/networkdatabases.cpp:99 @@ -2841,76 +2834,62 @@ msgid "Specified molecule could not be found: %1" msgstr "Specified molecule could not be found: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 -#, fuzzy msgid "Fetch from PDB" -msgstr "Fetch from PDB..." +msgstr "Fetch from PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" -msgstr "" +msgstr "Download PDB models from the Protein Data Bank" #: qtplugins/focus/focus.cpp:22 -#, fuzzy -#| msgid "Selection" msgid "Focus Selection" -msgstr "Selection" +msgstr "Focus Selection" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" -msgstr "" +msgstr "Unfocus" #: qtplugins/focus/focus.h:27 msgid "Focus" -msgstr "" +msgstr "Focus" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." -msgstr "" +msgstr "Focus the view on specific features." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." -msgstr "" +msgstr "Render the force field visualizations for the atoms of the molecule." #: qtplugins/forcefield/forcefield.cpp:75 -#, fuzzy -#| msgid "Optimization" msgid "Optimize" -msgstr "Optimization" +msgstr "Optimize" #: qtplugins/forcefield/forcefield.cpp:91 -#, fuzzy msgid "Configure…" -msgstr "Setup Force Field..." +msgstr "Configure…" #: qtplugins/forcefield/forcefield.cpp:103 -#, fuzzy -#| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" -msgstr "Import Selected Atoms" +msgstr "Freeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:110 -#, fuzzy -#| msgid "Fix Selected Atoms" msgid "Unfreeze Selected Atoms" -msgstr "Fix Selected Atoms" +msgstr "Unfreeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:126 -#, fuzzy -#| msgid "Calculate" msgid "&Calculate" -msgstr "Calculate" +msgstr "&Calculate" #: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 -#, fuzzy msgid "Optimize Geometry" msgstr "&Optimize Geometry" #: qtplugins/forcefield/forcefield.cpp:329 -#, fuzzy, qt-format -#| msgid "Energy = %L1 %2" +#, qt-format msgid "%1 Energy = %L2" -msgstr "Energy = %L1 %2" +msgstr "%1 Energy = %L2" #: qtplugins/forcefield/forcefield.cpp:330 #: qtplugins/playertool/playertool.cpp:343 @@ -2921,46 +2900,40 @@ msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.h:46 -#, fuzzy -#| msgid "Forcefield Optimization" msgid "Forcefield optimization" -msgstr "Forcefield Optimization" +msgstr "Force field optimization" #: qtplugins/forcefield/forcefield.h:50 -#, fuzzy -#| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" -msgstr "Forcefield Optimization" +msgstr "Force field minimization, including scripts" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" -msgstr "" +msgstr "Autodetect (%1)" #: qtplugins/forcefield/obmmenergy.cpp:77 -#, fuzzy -#| msgid "Force Field" msgid "Universal Force Field" -msgstr "Force Field" +msgstr "Universal Force Field" #: qtplugins/forcefield/obmmenergy.cpp:82 msgid "Generalized Amber Force Field" -msgstr "" +msgstr "Generalized Amber Force Field" #: qtplugins/forcefield/obmmenergy.cpp:96 msgid "Merck Molecular Force Field 94" -msgstr "" +msgstr "Merck Molecular Force Field 94" #: qtplugins/forcefield/scriptenergy.cpp:240 #, qt-format msgid "Error retrieving metadata for energy script: %1" -msgstr "" +msgstr "Error retrieving metadata for energy script: %1" #: qtplugins/forcefield/scriptenergy.cpp:250 #, qt-format msgid "Error parsing metadata for energy script: %1" -msgstr "" +msgstr "Error parsing metadata for energy script: %1" #: qtplugins/forcefield/scriptenergy.cpp:258 #, qt-format @@ -2968,26 +2941,24 @@ msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" +"Error parsing metadata for energy script: %1\n" +"Result is not a JSON object.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 -#, fuzzy -#| msgid "GAMESS" msgid "&GAMESS…" -msgstr "GAMESS" +msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 -#, fuzzy msgid "GAMESS input" -msgstr "GAMESS Input" +msgstr "GAMESS input" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." -msgstr "" +msgstr "Generate input for GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:225 -#, fuzzy msgid "Single Point" -msgstr "Single Point Energy" +msgstr "Single Point" #: qtplugins/gamessinput/gamessinputdialog.cpp:228 msgid "Equilibrium Geometry" @@ -3047,38 +3018,35 @@ msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:656 msgid "Save GAMESS input file" -msgstr "" +msgstr "Save GAMESS input file" #: qtplugins/gamessinput/gamessinputdialog.cpp:706 msgid "Submit GAMESS Calculation" -msgstr "" +msgstr "Submit GAMESS Calculation" #: qtplugins/hydrogens/hydrogens.cpp:21 -#, fuzzy msgid "&Adjust Hydrogens" -msgstr "Adjust Hydrogens" +msgstr "&Adjust Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:64 msgid "Add Hydrogens" msgstr "Add Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:32 -#, fuzzy msgid "Remove E&xtra Hydrogens" -msgstr "Remove Hydrogens" +msgstr "Remove E&xtra Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" -msgstr "" +msgstr "&Remove All Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." -msgstr "" +msgstr "Add/remove hydrogens from the current molecule." #: qtplugins/hydrogens/hydrogens.cpp:59 -#, fuzzy msgid "&Hydrogens" -msgstr "Hydrogens" +msgstr "&Hydrogens" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" @@ -3086,19 +3054,19 @@ msgstr "Hydrogens" #: qtplugins/importpqr/importpqr.cpp:24 msgid "&Search PQR…" -msgstr "" +msgstr "&Search PQR…" #: qtplugins/importpqr/importpqr.h:34 msgid "Import From PQR" -msgstr "" +msgstr "Import From PQR" #: qtplugins/importpqr/importpqr.h:38 msgid "Download a molecule from PQR." -msgstr "" +msgstr "Download a molecule from PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" -msgstr "" +msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 @@ -3107,26 +3075,19 @@ msgid "&Insert" msgstr "&Insert" #: qtplugins/insertdna/insertdna.cpp:79 -#, fuzzy -#| msgid "&Insert" msgid "Insert DNA/RNA…" -msgstr "&Insert" +msgstr "Insert DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:160 -#, fuzzy -#| msgctxt "Ultra-Violet spectrum" -#| msgid "UV" msgctxt "uracil" msgid "U" -msgstr "UV" +msgstr "U" #: qtplugins/insertdna/insertdna.cpp:161 msgid "Uracil" -msgstr "" +msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:167 -#, fuzzy -#| msgid "T" msgctxt "thymine" msgid "T" msgstr "T" @@ -3135,67 +3096,59 @@ msgstr "T" #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:168:600 msgid "Thymine" -msgstr "" +msgstr "Thymine" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1021 -#, fuzzy -#| msgid "Molecule" msgid "Insert Molecule…" -msgstr "Molecule" +msgstr "Insert Molecule…" #: qtplugins/insertdna/insertdna.cpp:202 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" -msgstr "" +msgstr "Generating 3D molecule…" #: qtplugins/insertdna/insertdna.h:33 -#, fuzzy -#| msgid "&Insert" msgid "InsertDNA" -msgstr "&Insert" +msgstr "Insert DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." -msgstr "" +msgstr "Insert DNA / RNA fragments through a dialog." #: qtplugins/insertfragment/insertfragment.cpp:32 -#, fuzzy -#| msgid "Fragment..." msgid "Fragment…" -msgstr "Fragment..." +msgstr "Fragment…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" -msgstr "" +msgstr "Crystal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." -msgstr "" +msgstr "Error reading file (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:342 msgid "Import Crystal" -msgstr "" +msgstr "Import Crystal" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:35 -#, fuzzy msgid "InsertFragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:60 -#, fuzzy msgid "Insert molecular fragments for building larger molecules." -msgstr "Insert molecular fragments for building larger molecules" +msgstr "Insert molecular fragments for building larger molecules." #: qtplugins/label/label.cpp:136 qtplugins/meshes/meshes.cpp:176 #: qtplugins/meshes/meshes.cpp:182 @@ -3203,9 +3156,8 @@ msgid "Color:" msgstr "Colour:" #: qtplugins/label/label.cpp:146 -#, fuzzy msgid "Distance from center:" -msgstr "Distance" +msgstr "Distance from center:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) @@ -3221,12 +3173,11 @@ msgstr "None" #: qtplugins/label/label.cpp:162 msgid "Index" -msgstr "" +msgstr "Index" #: qtplugins/label/label.cpp:163 -#, fuzzy msgid "In." -msgstr "In:" +msgstr "In." #: qtplugins/label/label.cpp:167 qtplugins/propertytables/propertymodel.cpp:386 #: qtplugins/symmetry/operationstablemodel.cpp:63 @@ -3235,55 +3186,49 @@ msgstr "Element" #: qtplugins/label/label.cpp:168 msgid "El." -msgstr "" +msgstr "El." #: qtplugins/label/label.cpp:172 -#, fuzzy msgid "Element & Number" -msgstr "Element name" +msgstr "Element & Number" #: qtplugins/label/label.cpp:173 msgid "El.&No." -msgstr "" +msgstr "El.&No." #: qtplugins/label/label.cpp:176 msgid ", " -msgstr "" +msgstr ", " #: qtplugins/label/label.cpp:187 -#, fuzzy msgid "Atom Label:" -msgstr "Atom Labels" +msgstr "Atom Label:" #: qtplugins/label/label.cpp:198 qtplugins/propertytables/propertymodel.cpp:431 -#, fuzzy msgid "ID" -msgstr "D" +msgstr "ID" #: qtplugins/label/label.cpp:202 #: qtplugins/plugindownloader/downloaderwidget.cpp:60 #: qtplugins/propertytables/propertymodel.cpp:429 msgid "Name" -msgstr "" +msgstr "Name" #: qtplugins/label/label.cpp:206 msgid " & " -msgstr "" +msgstr " & " #: qtplugins/label/label.cpp:218 -#, fuzzy msgid "Residue Label:" -msgstr "Residue name" +msgstr "Residue Label:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." -msgstr "" +msgstr "Display labels on ball-and-stick style." #: qtplugins/label/labeleditor.cpp:29 -#, fuzzy -#| msgid "Bond Labels" msgid "Edit Labels" -msgstr "Bond Labels" +msgstr "Edit Labels" #: qtplugins/label/labeleditor.cpp:32 msgid "" @@ -3291,71 +3236,70 @@ msgid "" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" +"Atom Label Tool\n" +"\n" +"Left Mouse: \tClick on Atoms to add Custom Labels" #: qtplugins/label/labeleditor.cpp:67 -#, fuzzy msgid "Create Label" -msgstr "Create Surfaces" +msgstr "Create Label" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" -msgstr "" +msgstr "Label editor tool" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" -msgstr "" +msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" -msgstr "" +msgstr "LAMMPS input" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." -msgstr "" +msgstr "Generate input for LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 -#, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Would you like to update the preview text, losing all changes made in the " -"Gaussian input deck preview pane?" +"Lammps input deck preview pane?" #: qtplugins/licorice/licorice.h:33 msgid "Render atoms as licorice / sticks." -msgstr "" +msgstr "Render atoms as licorice/sticks." #: qtplugins/lineformatinput/lineformatinput.cpp:31 -#, fuzzy msgid "SMILES…" -msgstr "SMILES..." +msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" -msgstr "" +msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 -#, fuzzy msgid "No descriptors found!" -msgstr "No Description" +msgstr "No descriptors found!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" -msgstr "" +msgstr "No line format readers found!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." -msgstr "" +msgstr "Unable to load requested format reader." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" -msgstr "" +msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." -msgstr "" +msgstr "Load single-line molecule descriptors through an input dialog." #: qtplugins/manipulator/manipulator.cpp:49 msgid "Manipulate" @@ -3368,11 +3312,15 @@ msgid "" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate selected atoms.\n" msgstr "" +"Manipulation Tool\n" +"\n" +"Left Mouse: \tClick and drag to move atoms\n" +"Right Mouse: \tClick and drag to rotate selected atoms.\n" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" -msgstr "" +msgstr "Manipulate tool" #: qtplugins/measuretool/measuretool.cpp:54 msgid "Measure" @@ -3388,6 +3336,13 @@ msgid "" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" +"Measure Tool\n" +"\n" +"Left Mouse: \tSelect up to four Atoms.\n" +"\tDistances are measured between 1-2 and 2-3\n" +"\tAngle is measured between 1-3 using 2 as the common point\n" +"\tDihedral is measured between 1-2-3-4\n" +"Right Mouse: \tReset the measurements." #: qtplugins/measuretool/measuretool.cpp:191 #: qtplugins/measuretool/measuretool.cpp:202 @@ -3399,15 +3354,13 @@ msgid "Angle:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.cpp:210 -#, fuzzy msgid "Angles:" -msgstr "Angle:" +msgstr "Angles:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 -#, fuzzy msgid "Measure tool" -msgstr "Measure" +msgstr "Measure tool" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) @@ -3417,24 +3370,22 @@ msgstr "Opacity:" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." -msgstr "" +msgstr "Render polygon meshes." #: qtplugins/molecularproperties/molecularproperties.cpp:21 -#, fuzzy msgid "&Molecular…" -msgstr "Molecular Orbital" +msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:33 msgid "View general properties of a molecule." -msgstr "" +msgstr "View general properties of a molecule." #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 #: qtplugins/qtaim/qtaimextension.cpp:77 qtplugins/spectra/spectra.cpp:42 #: qtplugins/surfaces/surfaces.cpp:247 qtplugins/symmetry/symmetry.cpp:82 -#, fuzzy msgid "&Analysis" -msgstr "Analytic" +msgstr "&Analysis" #: qtplugins/molecularproperties/molecularproperties.cpp:43 #: qtplugins/propertytables/propertytables.cpp:78 @@ -3450,38 +3401,33 @@ msgstr "Molecular Properties" #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:35 #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:206 -#, fuzzy msgid "&Copy" -msgstr "Copy All" +msgstr "&Copy" #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:88 msgctxt "asking server for molecule name" msgid "(pending)" -msgstr "" +msgstr "(pending)" #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:116 #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:124 #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:140 -#, fuzzy msgid "unknown molecule" -msgstr "No molecule set" +msgstr "unknown molecule" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 -#, fuzzy -#| msgid "Molecule Charge:" msgid "Molecule Name:" -msgstr "Molecule Charge:" +msgstr "Molecule Name:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:219 #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:231:1087 -#, fuzzy msgid "Molecular Mass (g/mol):" -msgstr "Molecular Weight (g/mol):" +msgstr "Molecular Mass (g/mol):" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label_2) @@ -3516,16 +3462,23 @@ msgid "" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" +"Navigation Tool\n" +"\n" +"Left Mouse: \tClick and drag to rotate the view.\n" +"Middle Mouse: \tClick and drag to zoom in or out.\n" +"Right Mouse: \tClick and drag to move the view.\n" #: qtplugins/navigator/navigator.cpp:59 msgid "Reverse Direction of Zoom on Scroll" -msgstr "" +msgstr "Reverse Direction of Zoom on Scroll" #: qtplugins/navigator/navigator.cpp:61 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" +"Default:\t Scroll down to shrink, scroll up to zoom\n" +"Reversed:\t Scroll up to shrink, scroll down to zoom" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" @@ -3537,84 +3490,76 @@ msgstr "Chemical Name" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" -msgstr "" +msgstr "Network Databases" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." -msgstr "" +msgstr "Interact with online databases, query structures etc." #: qtplugins/noncovalent/noncovalent.cpp:340 -#, fuzzy -#| msgid "°" msgid " °" -msgstr "°" +msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 -#, fuzzy -#| msgid "Angle Properties" msgid "Angle tolerance:" -msgstr "Angle Properties" +msgstr "Angle tolerance:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." -msgstr "" +msgstr "Render a few non-covalent interactions." #: qtplugins/noncovalent/noncovalent.h:53 -#, fuzzy -#| msgid "Hydrogen" msgid "Halogen" -msgstr "Hydrogen" +msgstr "Halogen" #: qtplugins/noncovalent/noncovalent.h:53 msgid "Chalcogen" -msgstr "" +msgstr "Chalcogen" #: qtplugins/openbabel/openbabel.cpp:52 -#, fuzzy msgid "Configure Force Field…" -msgstr "Setup Force Field..." +msgstr "Configure Force Field…" #: qtplugins/openbabel/openbabel.cpp:58 -#, fuzzy msgid "Perceive Bonds" -msgstr "Perceive bonds?" +msgstr "Perceive Bonds" #: qtplugins/openbabel/openbabel.cpp:70 -#, fuzzy msgid "Add Hydrogens for pH…" -msgstr "Add Hydrogens for pH" +msgstr "Add Hydrogens for pH…" #: qtplugins/openbabel/openbabel.cpp:76 -#, fuzzy msgid "Remove Hydrogens" msgstr "Remove Hydrogens" #: qtplugins/openbabel/openbabel.cpp:107 msgid "&Open Babel" -msgstr "" +msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:114 msgid "The Open Babel file formats are not ready to be added." -msgstr "" +msgstr "The Open Babel file formats are not ready to be added." #: qtplugins/openbabel/openbabel.cpp:199 msgid "Loading molecule from Open Babel…" -msgstr "" +msgstr "Loading molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:205 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" +"An internal error occurred: OpenBabel::readMolecule called, but no obabel " +"output is available to parse!" #: qtplugins/openbabel/openbabel.cpp:214 #, qt-format msgid "An error occurred while running Open Babel (%1)." -msgstr "" +msgstr "An error occurred while running Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:224 msgid "Error parsing openbabel output." -msgstr "" +msgstr "Error parsing openbabel output." #: qtplugins/openbabel/openbabel.cpp:363 qtplugins/openbabel/openbabel.cpp:398 #, qt-format @@ -3622,35 +3567,38 @@ msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" +"An error occurred while retrieving the list of supported force fields. (" +"using '%1')." #: qtplugins/openbabel/openbabel.cpp:389 msgid "Molecule invalid. Cannot optimize geometry." -msgstr "" +msgstr "Molecule invalid. Cannot optimize geometry." #: qtplugins/openbabel/openbabel.cpp:407 msgid "Cannot optimize geometry with Open Babel." -msgstr "" +msgstr "Cannot optimize geometry with Open Babel." #: qtplugins/openbabel/openbabel.cpp:432 -#, fuzzy msgid "Optimizing Geometry (Open Babel)" -msgstr "&Optimize Geometry" +msgstr "Optimizing Geometry (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:433 msgid "Generating MDL…" -msgstr "" +msgstr "Generating MDL…" #: qtplugins/openbabel/openbabel.cpp:452 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" +"An internal error occurred while generating an Open Babel representation of " +"the current molecule." #: qtplugins/openbabel/openbabel.cpp:458 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" -msgstr "" +msgstr "Starting %1…" #: qtplugins/openbabel/openbabel.cpp:472 qtplugins/openbabel/openbabel.cpp:480 #, qt-format @@ -3659,16 +3607,18 @@ msgid "" "Current energy: %3\n" "dE: %4" msgstr "" +"Step %1 of %2\n" +"Current energy: %3\n" +"dE: %4" #: qtplugins/openbabel/openbabel.cpp:494 -#, fuzzy msgid "Updating molecule…" -msgstr "No molecule set" +msgstr "Updating molecule…" #: qtplugins/openbabel/openbabel.cpp:502 qtplugins/openbabel/openbabel.cpp:583 #: qtplugins/openbabel/openbabel.cpp:765 msgid "Error interpreting Open Babel output." -msgstr "" +msgstr "Error interpreting Open Babel output." #: qtplugins/openbabel/openbabel.cpp:515 qtplugins/openbabel/openbabel.cpp:595 #, qt-format @@ -3676,125 +3626,123 @@ msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" +"Number of atoms in obabel output (%1) does not match the number of atoms in " +"the original molecule (%2)." #: qtplugins/openbabel/openbabel.cpp:534 msgid "Cannot open file with Open Babel." -msgstr "" +msgstr "Cannot open file with Open Babel." #: qtplugins/openbabel/openbabel.cpp:540 msgid "Invalid molecule: Cannot perceive bonds." -msgstr "" +msgstr "Invalid molecule: Cannot perceive bonds." #: qtplugins/openbabel/openbabel.cpp:546 msgid "Perceiving Bonds (Open Babel)" -msgstr "" +msgstr "Perceiving Bonds (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:547 msgid "Generating XYZ representation…" -msgstr "" +msgstr "Generating XYZ representation…" #: qtplugins/openbabel/openbabel.cpp:554 msgid "Error generating XYZ string." -msgstr "" +msgstr "Error generating XYZ string." #: qtplugins/openbabel/openbabel.cpp:565 #, qt-format msgid "Converting XYZ to Open Babel with %1…" -msgstr "" +msgstr "Converting XYZ to Open Babel with %1…" #: qtplugins/openbabel/openbabel.cpp:575 -#, fuzzy msgid "Updating molecule from Open Babel…" -msgstr "No molecule set" +msgstr "Updating molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:627 qtplugins/openbabel/openbabel.cpp:669 msgid "Cannot add hydrogens with Open Babel." -msgstr "" +msgstr "Cannot add hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:632 qtplugins/openbabel/openbabel.cpp:682 -#, fuzzy msgid "Adding Hydrogens (Open Babel)" -msgstr "Add Hydrogens" +msgstr "Adding Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:633 msgid "Generating Open Babel input…" -msgstr "" +msgstr "Generating Open Babel input…" #: qtplugins/openbabel/openbabel.cpp:641 qtplugins/openbabel/openbabel.cpp:691 msgid "Error generating Open Babel input." -msgstr "" +msgstr "Error generating Open Babel input." #: qtplugins/openbabel/openbabel.cpp:654 qtplugins/openbabel/openbabel.cpp:704 #: qtplugins/openbabel/openbabel.cpp:746 #, qt-format msgid "Running %1…" -msgstr "" +msgstr "Running %1…" #: qtplugins/openbabel/openbabel.cpp:676 -#, fuzzy msgid "Add hydrogens for pH" -msgstr "Add Hydrogens for pH" +msgstr "Add hydrogens for pH" #: qtplugins/openbabel/openbabel.cpp:676 -#, fuzzy msgid "pH:" -msgstr "pH" +msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:683 qtplugins/openbabel/openbabel.cpp:725 msgid "Generating obabel input…" -msgstr "" +msgstr "Generating obabel input…" #: qtplugins/openbabel/openbabel.cpp:719 msgid "Cannot remove hydrogens with Open Babel." -msgstr "" +msgstr "Cannot remove hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:724 -#, fuzzy msgid "Removing Hydrogens (Open Babel)" -msgstr "Remove Hydrogens" +msgstr "Removing Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:733 msgid "Error generating Open Babel data." -msgstr "" +msgstr "Error generating Open Babel data." #: qtplugins/openbabel/openbabel.cpp:756 msgid "Reading obabel output…" -msgstr "" +msgstr "Reading obabel output…" #: qtplugins/openbabel/openbabel.cpp:819 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" +"Already running Open Babel. Wait for the other operation to complete and try " +"again." #: qtplugins/openbabel/openbabel.h:36 msgid "OpenBabel" -msgstr "" +msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:40 msgid "Interact with OpenBabel utilities." -msgstr "" +msgstr "Interact with OpenBabel utilities." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" -msgstr "" +msgstr "&OpenMM Script…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" -msgstr "" +msgstr "OpenMM input" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." -msgstr "" +msgstr "Generate input for OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 -#, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Would you like to update the preview text, losing all changes made in the " -"MOPAC input deck preview pane?" +"OpenMM input deck preview pane?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 @@ -3802,7 +3750,7 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" -msgstr "" +msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 @@ -3810,32 +3758,32 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" -msgstr "" +msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1201 msgid "input.prmtop" -msgstr "" +msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" -msgstr "" +msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" -msgstr "" +msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" -msgstr "" +msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" -msgstr "" +msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) @@ -3846,7 +3794,7 @@ msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1318 rc.cpp:1333 msgid "True" -msgstr "" +msgstr "True" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" @@ -3854,25 +3802,23 @@ msgstr "Reference Axes" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" -msgstr "" +msgstr "Reference Axes Overlay" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." -msgstr "" +msgstr "Render reference axes in the corner of the display." #: qtplugins/playertool/playertool.cpp:52 msgid "Player" -msgstr "" +msgstr "Player" #: qtplugins/playertool/playertool.cpp:54 -#, fuzzy -#| msgid "Animation" msgid "Animation Tool" -msgstr "Animation" +msgstr "Animation Tool" #: qtplugins/playertool/playertool.cpp:69 msgid "Play" -msgstr "" +msgstr "Play" #: qtplugins/playertool/playertool.cpp:72 msgid "Stop" @@ -3880,254 +3826,242 @@ msgstr "Stop" #: qtplugins/playertool/playertool.cpp:83 msgid "Frame rate:" -msgstr "" +msgstr "Frame rate:" #: qtplugins/playertool/playertool.cpp:89 msgctxt "frames per second" msgid " FPS" -msgstr "" +msgstr " FPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:113:1678 -#, fuzzy msgid "Frame:" -msgstr "Parameters:" +msgstr "Frame:" #: qtplugins/playertool/playertool.cpp:120 #: qtplugins/playertool/playertool.cpp:411 #: qtplugins/surfaces/surfacedialog.cpp:229 #, qt-format msgid " of %0" -msgstr "" +msgstr " of %0" #: qtplugins/playertool/playertool.cpp:131 -#, fuzzy msgid "Dynamic bonding?" -msgstr "Dynamic Bonds" +msgstr "Dynamic bonding?" #: qtplugins/playertool/playertool.cpp:139 msgid "Record Movie…" -msgstr "" +msgstr "Record Movie…" #: qtplugins/playertool/playertool.cpp:243 #: qtplugins/playertool/playertool.cpp:348 msgid "Movie (*.mp4)" -msgstr "" +msgstr "Movie (*.mp4)" #: qtplugins/playertool/playertool.cpp:245 msgid "Export Bitmap Graphics" -msgstr "" +msgstr "Export Bitmap Graphics" #: qtplugins/playertool/playertool.cpp:246 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" -msgstr "" +msgstr "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:260 qtplugins/surfaces/surfaces.cpp:858 msgid "GIF (*.gif)" -msgstr "" +msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:266 msgid "GIF FPS support warning" -msgstr "" +msgstr "GIF FPS support warning" #: qtplugins/playertool/playertool.cpp:267 msgid "The GIF file format does not support frame rates over 100 FPS." -msgstr "" +msgstr "The GIF file format does not support frame rates over 100 FPS." #: qtplugins/playertool/playertool.cpp:312 -#, fuzzy msgid "Movie (*.avi)" -msgstr "video files (*.avi)" +msgstr "Movie (*.avi)" #: qtplugins/playertool/playertool.cpp:344 qtplugins/surfaces/surfaces.cpp:931 msgid "Error: cannot add frame to video." -msgstr "" +msgstr "Error: cannot add frame to video." #: qtplugins/playertool/playertool.cpp:376 qtplugins/surfaces/surfaces.cpp:943 #, qt-format msgid "Cannot save file %1." -msgstr "" +msgstr "Cannot save file %1." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" -msgstr "" +msgstr "Player tool" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" -msgstr "" +msgstr "Play back trajectories" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" -msgstr "" +msgstr "Plot Pair Distribution Function…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" -msgstr "" +msgstr "Failed to generate PDF pattern" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " -msgstr "" +msgstr "Error message: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" -msgstr "" +msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." -msgstr "" +msgstr "Generate and plot a Pair Distribution Function curve." #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" -msgstr "" +msgstr "Plot RMSD curve…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" -msgstr "" +msgstr "PlotRmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." -msgstr "" +msgstr "Generate and plot an RMSD curve." #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" -msgstr "" +msgstr "Plot Theoretical XRD Pattern…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" -msgstr "" +msgstr "Failed to generate XRD pattern" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." -msgstr "" +msgstr "Failed to convert molecule to CIF format." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" -msgstr "" +msgstr "Data read from genXrdPattern appears to be corrupt!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" -msgstr "" +msgstr "Error: could not find genXrdPattern executable!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:556 msgid "Error: " -msgstr "" +msgstr "Error: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" -msgstr "" +msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." -msgstr "" +msgstr "Generate and plot a theoretical XRD pattern using ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:60 msgid "Update" -msgstr "" +msgstr "Update" #: qtplugins/plugindownloader/downloaderwidget.cpp:60 msgid "Version" -msgstr "" +msgstr "Version" #: qtplugins/plugindownloader/downloaderwidget.cpp:61 msgid "Description" -msgstr "" +msgstr "Description" #: qtplugins/plugindownloader/downloaderwidget.cpp:321 #, qt-format msgid "Downloading %1 to %2\n" -msgstr "" +msgstr "Downloading %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:334 #, qt-format msgid "Extracting %1 to %2\n" -msgstr "" +msgstr "Extracting %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:337 #, qt-format msgid "Finished %1 files\n" -msgstr "" +msgstr "Finished %1 files\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:341 msgid "Extraction successful\n" -msgstr "" +msgstr "Extraction successful\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:371 #, qt-format msgid "Error while extracting: %1" -msgstr "" +msgstr "Error while extracting: %1" #: qtplugins/plugindownloader/plugindownloader.cpp:27 msgid "Download Plugins…" -msgstr "" +msgstr "Download Plugins…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" -msgstr "" +msgstr "Download Plugins" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." -msgstr "" +msgstr "Download plugins from GitHub repositories." #: qtplugins/ply/ply.cpp:29 -#, fuzzy msgid "PLY Render…" -msgstr "POV-Ray" +msgstr "PLY Render…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 -#, fuzzy msgid "Save File" -msgstr "Save Video File" +msgstr "Save File" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" -msgstr "" +msgstr "PLY (*.ply);;Text file (*.txt)" #: qtplugins/ply/ply.h:25 -#, fuzzy -#| msgid "B2PLYP" msgid "PLY" -msgstr "B2PLYP" +msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." -msgstr "" +msgstr "Render the scene using PLY." #: qtplugins/povray/povray.cpp:29 -#, fuzzy msgid "POV-Ray Render…" -msgstr "POV-Ray" +msgstr "POV-Ray Render…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" -msgstr "" +msgstr "POV-Ray (*.pov);;Text file (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" -msgstr "" +msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." -msgstr "" +msgstr "Render the scene using POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:388 msgid "Valence" msgstr "Valence" #: qtplugins/propertytables/propertymodel.cpp:390 -#, fuzzy -#| msgid "Partial Charge" msgid "Formal Charge" -msgstr "Partial Charge" +msgstr "Formal Charge" #: qtplugins/propertytables/propertymodel.cpp:392 -#, fuzzy -#| msgid "Partial charge" msgid "Partial Charge" -msgstr "Partial charge" +msgstr "Partial Charge" #: qtplugins/propertytables/propertymodel.cpp:394 msgid "X (Å)" @@ -4143,9 +4077,8 @@ msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:400 #: qtplugins/propertytables/propertymodel.cpp:439 -#, fuzzy msgid "Color" -msgstr "Colour:" +msgstr "Colour" #: qtplugins/propertytables/propertymodel.cpp:403 msgid "Atom" @@ -4163,40 +4096,34 @@ msgid "Start Atom" msgstr "Start Atom" #: qtplugins/propertytables/propertymodel.cpp:414 -#, fuzzy msgid "End Atom" msgstr "End Atom" #: qtplugins/propertytables/propertymodel.cpp:416 -#, fuzzy msgid "Bond Order" -msgstr "Bond Order:" +msgstr "Bond Order" #: qtplugins/propertytables/propertymodel.cpp:418 -#, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" -msgstr "Length %1" +msgstr "Length (Å)" #: qtplugins/propertytables/propertymodel.cpp:433 msgid "Chain" -msgstr "" +msgstr "Chain" #: qtplugins/propertytables/propertymodel.cpp:435 -#, fuzzy msgid "Secondary Structure" -msgstr "Structure:" +msgstr "Secondary Structure" #: qtplugins/propertytables/propertymodel.cpp:437 -#, fuzzy msgid "Heterogen" -msgstr "Hydrogen" +msgstr "Heterogen" #: qtplugins/propertytables/propertymodel.cpp:451 #: qtplugins/propertytables/propertymodel.cpp:468 -#, fuzzy msgid "Atom 1" -msgstr "Atom %1" +msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:453 msgid "Vertex" @@ -4204,117 +4131,95 @@ msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:455 #: qtplugins/propertytables/propertymodel.cpp:472 -#, fuzzy msgid "Atom 3" -msgstr "Atom" +msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:457 #: qtplugins/propertytables/propertymodel.cpp:476 -#, fuzzy msgid "Angle (°)" -msgstr "Angle: %L1 °" +msgstr "Angle (°)" #: qtplugins/propertytables/propertymodel.cpp:470 -#, fuzzy msgid "Atom 2" -msgstr "Atom" +msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:474 -#, fuzzy msgid "Atom 4" -msgstr "Atom" +msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:664 -#, fuzzy -#| msgid "Insert Fragment" msgid "Adjust Fragment" -msgstr "Insert Fragment" +msgstr "Adjust Fragment" #: qtplugins/propertytables/propertymodel.cpp:790 -#, fuzzy msgctxt "pi helix" msgid "π Helix" -msgstr "Helix" +msgstr "π-Helix" #: qtplugins/propertytables/propertymodel.cpp:792 msgctxt "protein bend secondary structure" msgid "Bend" -msgstr "" +msgstr "Bend" #: qtplugins/propertytables/propertymodel.cpp:794 -#, fuzzy msgctxt "alpha helix" msgid "α Helix" -msgstr "Helix" +msgstr "α-Helix" #: qtplugins/propertytables/propertymodel.cpp:796 -#, fuzzy msgctxt "beta sheet" msgid "β Sheet" -msgstr "Sheet" +msgstr "β-Sheet" #: qtplugins/propertytables/propertymodel.cpp:798 -#, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" -msgstr "3-10 Helix" +msgstr "3-10 helix" #: qtplugins/propertytables/propertymodel.cpp:800 msgctxt "beta bridge" msgid "β Bridge" -msgstr "" +msgstr "β-Bridge" #: qtplugins/propertytables/propertymodel.cpp:802 msgctxt "protein turn secondary structure" msgid "Turn" -msgstr "" +msgstr "Turn" #: qtplugins/propertytables/propertymodel.cpp:804 msgctxt "protein coil secondary structure" msgid "Coil" -msgstr "" +msgstr "Coil" #: qtplugins/propertytables/propertytables.cpp:27 -#, fuzzy -#| msgid "Atom Properties" msgid "Atom Properties…" -msgstr "Atom Properties" +msgstr "Atom Properties…" #: qtplugins/propertytables/propertytables.cpp:34 -#, fuzzy -#| msgid "Bond Properties" msgid "Bond Properties…" -msgstr "Bond Properties" +msgstr "Bond Properties…" #: qtplugins/propertytables/propertytables.cpp:41 -#, fuzzy -#| msgid "Angle Properties" msgid "Angle Properties…" -msgstr "Angle Properties" +msgstr "Angle Properties…" #: qtplugins/propertytables/propertytables.cpp:48 -#, fuzzy -#| msgid "Torsion Properties" msgid "Torsion Properties…" -msgstr "Torsion Properties" +msgstr "Torsion Properties…" #: qtplugins/propertytables/propertytables.cpp:55 -#, fuzzy msgid "Residue Properties…" -msgstr "Molecule Properties" +msgstr "Residue Properties…" #: qtplugins/propertytables/propertytables.cpp:67 -#, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" -"Windows for displaying atom, bond, angle and torsion properties. It also " -"includes a Cartesian coordinate editor." +"Tables for displaying and editng atom, bond, angle, and torsion properties." #: qtplugins/propertytables/propertytables.h:29 -#, fuzzy msgid "PropertyTables" -msgstr "Properties" +msgstr "PropertyTables" #: qtplugins/propertytables/propertyview.cpp:31 msgid "Atom Properties" @@ -4337,9 +4242,8 @@ msgid "Conformer Properties" msgstr "Conformer Properties" #: qtplugins/propertytables/propertyview.cpp:46 -#, fuzzy msgid "Residue Properties" -msgstr "Molecule Properties" +msgstr "Residue Properties" #: qtplugins/propertytables/propertyview.cpp:49 msgid "Molecule Properties" @@ -4348,218 +4252,191 @@ msgstr "Molecule Properties" #: qtplugins/qtaim/qtaimengine.h:26 qtplugins/qtaim/qtaimextension.cpp:77 #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM" -msgstr "" +msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:30 msgid "Renders primitives using QTAIM properties" -msgstr "" +msgstr "Renders primitives using QTAIM properties" #: qtplugins/qtaim/qtaimextension.cpp:46 -#, fuzzy msgid "Molecular Graph…" -msgstr "Molecular Orbital" +msgstr "Molecular Graph…" #: qtplugins/qtaim/qtaimextension.cpp:53 msgid "Molecular Graph with Lone Pairs…" -msgstr "" +msgstr "Molecular Graph with Lone Pairs…" #: qtplugins/qtaim/qtaimextension.cpp:60 -#, fuzzy msgid "Atomic Charge…" -msgstr "Formal charge" +msgstr "Atomic Charge…" #: qtplugins/qtaim/qtaimextension.cpp:109 msgid "Open WFN File" -msgstr "" +msgstr "Open WFN File" #: qtplugins/qtaim/qtaimextension.cpp:110 msgid "WFN files (*.wfn);;All files (*.*)" -msgstr "" +msgstr "WFN files (*.wfn);;All files (*.*)" #: qtplugins/qtaim/qtaimextension.h:24 msgid "QTAIM extension" -msgstr "" +msgstr "QTAIM extension" #: qtplugins/quantuminput/quantuminput.cpp:179 msgid "" "Select the python interpreter used to run input generator scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" +"Select the Python interpreter used to run input generator scripts.\n" +"Avogadro must be restarted for any changes to take effect." #: qtplugins/quantuminput/quantuminput.cpp:230 msgid "Set Python Path…" -msgstr "" +msgstr "Set Python Path…" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" -msgstr "" +msgstr "Quantum input" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." -msgstr "" +msgstr "Generate input for quantum codes." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" -msgstr "" +msgstr "Centre" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" -msgstr "" +msgstr "Align View to Axes" #: qtplugins/resetview/resetview.cpp:52 -#, fuzzy -#| msgid "Align Settings" msgid "Align view to axes." -msgstr "Align Settings" +msgstr "Align view to axes." #: qtplugins/resetview/resetview.h:26 -#, fuzzy msgid "Reset view" -msgstr "Reset" +msgstr "Reset view" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." -msgstr "" +msgstr "Manipulate the view camera." #: qtplugins/scriptcharges/scriptcharges.h:32 -#, fuzzy -#| msgid "Charge:" msgid "Script Charge Models" -msgstr "Charge:" +msgstr "Script Charge Models" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." -msgstr "" +msgstr "Load electrostatic models from external scripts." #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" -msgstr "" +msgstr "Script File Formats" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." -msgstr "" +msgstr "Load file reader/writers from external scripts." #: qtplugins/select/select.cpp:31 msgid "Select All" -msgstr "" +msgstr "Select All" #: qtplugins/select/select.cpp:37 msgid "Select None" -msgstr "" +msgstr "Select None" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:516 msgid "Invert Selection" -msgstr "" +msgstr "Invert Selection" #: qtplugins/select/select.cpp:53 -#, fuzzy -#| msgid "Color by Element" msgid "Select by Element…" -msgstr "Colour by Element" +msgstr "Select by Element…" #: qtplugins/select/select.cpp:58 -#, fuzzy msgid "Select by Atom Index…" -msgstr "Atom Indices" +msgstr "Select by Atom Index…" #: qtplugins/select/select.cpp:63 -#, fuzzy -#| msgid "Select by Residue..." msgid "Select by Residue…" -msgstr "Select by Residue..." +msgstr "Select by Residue…" #: qtplugins/select/select.cpp:68 -#, fuzzy msgid "Select Backbone Atoms…" -msgstr "Atom Indices" +msgstr "Select Backbone Atoms…" #: qtplugins/select/select.cpp:73 -#, fuzzy msgid "Select Sidechain Atoms…" -msgstr "Atom Indices" +msgstr "Select Sidechain Atoms…" #: qtplugins/select/select.cpp:78 -#, fuzzy msgid "Select Water…" -msgstr "Atom Indices" +msgstr "Select Water…" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:352 -#, fuzzy -#| msgid "Ignore Selection" msgid "Enlarge Selection" -msgstr "Ignore Selection" +msgstr "Enlarge Selection" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:387 -#, fuzzy -#| msgid "Selection" msgid "Shrink Selection" -msgstr "Selection" +msgstr "Shrink Selection" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" -msgstr "" +msgstr "Create New Layer from Selection" #: qtplugins/select/select.cpp:117 msgid "Change selections" -msgstr "" +msgstr "Change selections" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Select" #: qtplugins/select/select.cpp:180 -#, fuzzy -#| msgid "Color by Element" msgid "Select Element" -msgstr "Colour by Element" +msgstr "Select Element" #: qtplugins/select/select.cpp:216 -#, fuzzy msgid "Select Water" -msgstr "Atom Indices" +msgstr "Select Water" #: qtplugins/select/select.cpp:254 -#, fuzzy msgid "Select Backbone" -msgstr "Atom Indices" +msgstr "Select Backbone" #: qtplugins/select/select.cpp:288 -#, fuzzy msgid "Select Sidechain" -msgstr "Atom Indices" +msgstr "Select Sidechain" #: qtplugins/select/select.cpp:409 msgid "Select Atoms by Index" -msgstr "" +msgstr "Select Atoms by Index" #: qtplugins/select/select.cpp:410 msgid "Atoms to Select:" -msgstr "" +msgstr "Atoms to Select:" #: qtplugins/select/select.cpp:415 -#, fuzzy -#| msgid "Delete Atom" msgid "Select Atom" -msgstr "Delete Atom" +msgstr "Select Atom" #: qtplugins/select/select.cpp:448 msgid "Select Atoms by Residue" -msgstr "" +msgstr "Select Atoms by Residue" #: qtplugins/select/select.cpp:449 msgid "Residues to Select:" -msgstr "" +msgstr "Residues to Select:" #: qtplugins/select/select.cpp:454 -#, fuzzy -#| msgid "Select by Residue..." msgid "Select Residue" -msgstr "Select by Residue..." +msgstr "Select Residue" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1717 -#, fuzzy msgid "Select" msgstr "&Select" @@ -4577,68 +4454,73 @@ msgid "" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" +"Selection Tool\n" +"\n" +"Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" +"\tDrag to select a range of atoms\n" +"Right Mouse: \tClick outside the molecule to clear selection\n" +"Use Ctrl to toggle the selection and shift to add to the selection.\n" +"Double-Click: \tSelect an entire fragment." #: qtplugins/selectiontool/selectiontool.cpp:238 -#, fuzzy msgid "Paint Atoms" -msgstr "Start Atom" +msgstr "Paint Atoms" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" -msgstr "" +msgstr "Selection tool" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 -#, fuzzy msgid "New Layer" -msgstr "Remove Hydrogens" +msgstr "New Layer" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" -msgstr "" +msgstr "Perceive Space Group…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1702 msgid "Symmetrize" -msgstr "" +msgstr "Symmetrise" #: qtplugins/spacegroup/spacegroup.cpp:73 -#, fuzzy -#| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" -msgstr "Fill Unit Cell" +msgstr "Fill Unit Cell…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:315 msgid "Reduce to Asymmetric Unit" -msgstr "" +msgstr "Reduce to Asymmetric Unit" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" -msgstr "" +msgstr "Set Tolerance…" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" -msgstr "" +msgstr "Space Group" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." -msgstr "" +msgstr "Fill symmetric atoms based on the crystal space group." #: qtplugins/spacegroup/spacegroup.cpp:199 msgid "Failure" -msgstr "" +msgstr "Failure" #: qtplugins/spacegroup/spacegroup.cpp:200 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" +"Space group perception failed.\n" +"Would you like to try again with a different tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:215 msgid "Primitive Reduction" -msgstr "" +msgstr "Primitive Reduction" #: qtplugins/spacegroup/spacegroup.cpp:216 #: qtplugins/spacegroup/spacegroup.cpp:241 @@ -4648,104 +4530,108 @@ msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" +"The tolerance is currently set to: %1.\n" +"Proceed with this tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:229 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" +"Primitive reduction failed.\n" +"Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:254 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" +"Conventionalize cell failed.\n" +"Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:278 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" +"Symmetrization failed.\n" +"Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:336 qtplugins/yaehmop/yaehmop.cpp:209 #: qtplugins/yaehmop/yaehmop.cpp:299 qtplugins/yaehmop/yaehmop.cpp:311 #: qtplugins/yaehmop/yaehmop.cpp:324 qtplugins/yaehmop/yaehmop.cpp:433 -#, fuzzy msgid "Avogadro2" -msgstr "Avogadro" +msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:337 msgid "Select tolerance in Å:" -msgstr "" +msgstr "Select tolerance in Å:" #: qtplugins/spacegroup/spacegroup.cpp:353 msgid "International" -msgstr "" +msgstr "International" #: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hall" -msgstr "" +msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:353 msgid "Hermann-Mauguin" -msgstr "" +msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:366 msgid "Select Space Group" -msgstr "" +msgstr "Select Space Group" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" -msgstr "" +msgstr "SpaceGroup" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." -msgstr "" +msgstr "Space group features for crystals." #: qtplugins/spectra/spectra.cpp:27 -#, fuzzy msgid "Vibrational Modes…" -msgstr "Vibrations" +msgstr "Vibrational Modes…" #: qtplugins/spectra/spectra.cpp:64 msgid "Show the vibrational modes dialog." -msgstr "" +msgstr "Show the vibrational modes dialog." #: qtplugins/spectra/spectra.cpp:65 -#, fuzzy msgid "Set the vibrational mode." -msgstr "Vibrations" +msgstr "Set the vibrational mode." #: qtplugins/spectra/spectra.cpp:67 msgid "Set the vibrational amplitude." -msgstr "" +msgstr "Set the vibrational amplitude." #: qtplugins/spectra/spectra.cpp:69 msgid "Start the vibrational animation." -msgstr "" +msgstr "Start the vibrational animation." #: qtplugins/spectra/spectra.cpp:71 msgid "Stop the vibrational animation." -msgstr "" +msgstr "Stop the vibrational animation." #: qtplugins/spectra/spectra.h:32 msgid "Spectra and Vibrations" -msgstr "" +msgstr "Spectra and Vibrations" #: qtplugins/spectra/spectra.h:36 msgid "Display spectra and vibrational modes." -msgstr "" +msgstr "Display spectra and vibrational modes." #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" -msgstr "" +msgstr "Solvent Accessible" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" -msgstr "" +msgstr "Solvent Excluded" #: qtplugins/surfaces/surfacedialog.cpp:162 -#, fuzzy msgid "Molecular Orbital" msgstr "Molecular Orbital" @@ -4754,104 +4640,89 @@ msgid "Electron Density" msgstr "Electron Density" #: qtplugins/surfaces/surfacedialog.cpp:172 -#, fuzzy -#| msgid "Intensity" msgid "Spin Density" -msgstr "Intensity" +msgstr "Spin Density" #: qtplugins/surfaces/surfacedialog.cpp:184 -#, fuzzy, qt-format +#, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:186 -#, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:188 -#, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:203 msgid "From File" -msgstr "" +msgstr "From File" #: qtplugins/surfaces/surfaces.cpp:82 -#, fuzzy -#| msgid "Create Surfaces" msgid "Create Surfaces…" -msgstr "Create Surfaces" +msgstr "Create Surfaces…" #: qtplugins/surfaces/surfaces.cpp:110 -#, fuzzy -#| msgid "Renders atoms as Van der Waals spheres" msgid "Render the van der Waals surface." -msgstr "Renders atoms as Van der Waals spheres" +msgstr "Render the van der Waals surface." #: qtplugins/surfaces/surfaces.cpp:112 -#, fuzzy -#| msgid "Renders atoms as Van der Waals spheres" msgid "Render the van der Waals molecular surface." -msgstr "Renders atoms as Van der Waals spheres" +msgstr "Render the van der Waals molecular surface." #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the solvent-accessible molecular surface." -msgstr "" +msgstr "Render the solvent-accessible molecular surface." #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-excluded molecular surface." -msgstr "" +msgstr "Render the solvent-excluded molecular surface." #: qtplugins/surfaces/surfaces.cpp:117 qtplugins/surfaces/surfaces.cpp:118 -#, fuzzy msgid "Render a molecular orbital." -msgstr "Molecular Orbital" +msgstr "Render a molecular orbital." #: qtplugins/surfaces/surfaces.cpp:120 -#, fuzzy msgid "Render the electron density." -msgstr "Calculating Electron Density" +msgstr "Render the electron density." #: qtplugins/surfaces/surfaces.cpp:121 msgid "Render the spin density." -msgstr "" +msgstr "Render the spin density." #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render a cube supplied with the file." -msgstr "" +msgstr "Render a cube supplied with the file." #: qtplugins/surfaces/surfaces.cpp:571 -#, fuzzy msgid "Calculating electron density" -msgstr "Calculating Electron Density" +msgstr "Calculating electron density" #: qtplugins/surfaces/surfaces.cpp:580 -#, fuzzy msgid "Calculating spin density" -msgstr "Calculating Electron Density" +msgstr "Calculating spin density" #: qtplugins/surfaces/surfaces.cpp:589 #, qt-format msgid "Calculating molecular orbital %L1" -msgstr "" +msgstr "Calculating molecular orbital %L1" #: qtplugins/surfaces/surfaces.cpp:835 qtplugins/surfaces/surfaces.cpp:863 msgid "Movie AVI (*.avi)" -msgstr "" +msgstr "Movie AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:837 -#, fuzzy msgid "Export Movie" -msgstr "E&xport Image" +msgstr "Export Movie" #: qtplugins/surfaces/surfaces.cpp:838 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" -msgstr "" +msgstr "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" @@ -4859,15 +4730,15 @@ msgstr "Surfaces" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." -msgstr "" +msgstr "Read and render surfaces." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" -msgstr "" +msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" -msgstr "" +msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" @@ -4875,67 +4746,60 @@ msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." -msgstr "" +msgstr "Render the scene in a SVG file." #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" -msgstr "" +msgstr "Class" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" -msgstr "" +msgstr "Symmetry…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/symmetry/symmetry.h:34:1687 msgid "Symmetry" -msgstr "" +msgstr "Symmetry" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." -msgstr "" +msgstr "Provide symmetry functionality." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." -msgstr "" +msgstr "Render symmetry elements." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" -msgstr "" +msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:340 -#, fuzzy, qt-format +#, qt-format msgid "Group %1" -msgstr "Group Name" +msgstr "Group %1" #: qtplugins/symmetry/symmetrywidget.cpp:348 #, qt-format msgid "%1 %2" -msgstr "" +msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 -#, fuzzy -#| msgid "Temperature:" msgid "Template" -msgstr "Temperature:" +msgstr "Template" #: qtplugins/templatetool/templatetool.cpp:294 -#, fuzzy -#| msgid "Insert Peptide" msgid "Insert Template" -msgstr "Insert Peptide" +msgstr "Insert Template" #: qtplugins/templatetool/templatetool.cpp:544 -#, fuzzy -#| msgid "Insert Peptide" msgid "Insert Ligand" -msgstr "Insert Peptide" +msgstr "Insert Ligand" #: qtplugins/templatetool/templatetool.h:34 #: qtplugins/templatetool/templatetool.h:35 -#, fuzzy msgid "Template tool" -msgstr "Measure" +msgstr "Template tool" #: qtplugins/templatetool/templatetoolwidget.cpp:288 msgid "Other..." @@ -4943,46 +4807,43 @@ msgstr "Other..." #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." -msgstr "" +msgstr "Simple display of VdW spheres." #: qtplugins/vanderwaalsao/vanderwaalsao.h:33 msgid "Simple display of VdW spheres with ambient occlusion." -msgstr "" +msgstr "Simple display of VdW spheres with ambient occlusion." #: qtplugins/vrml/vrml.cpp:29 -#, fuzzy msgid "VRML Render…" -msgstr "POV-Ray" +msgstr "VRML Render…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" -msgstr "" +msgstr "VRML (*.wrl);;Text file (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" -msgstr "" +msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." -msgstr "" +msgstr "Render the scene using VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." -msgstr "" +msgstr "Render the molecule as a wireframe." #: qtplugins/yaehmop/yaehmop.cpp:91 -#, fuzzy -#| msgid "Calculated Spectra:" msgid "Calculate Band Structure…" -msgstr "Calculated Spectra:" +msgstr "Calculate Band Structure…" #: qtplugins/yaehmop/yaehmop.cpp:112 msgid "&Yaehmop" -msgstr "" +msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:210 qtplugins/yaehmop/yaehmop.cpp:434 msgid "Cannot calculate band structure: no unit cell!" -msgstr "" +msgstr "Cannot calculate band structure: no unit cell!" #: qtplugins/yaehmop/yaehmop.cpp:300 #, qt-format @@ -4990,54 +4851,57 @@ msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" +"Yaehmop execution failed with the following error:\n" +"%1" #: qtplugins/yaehmop/yaehmop.cpp:310 msgid "Failed to read band structure output from Yaehmop!" -msgstr "" +msgstr "Failed to read band structure output from Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:322 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" +"Only one special k point was found in Yaehmop output! Two or more are " +"required!" #: qtplugins/yaehmop/yaehmop.cpp:368 #, qt-format msgid "Band %1" -msgstr "" +msgstr "Band %1" #: qtplugins/yaehmop/yaehmop.cpp:388 msgid "Fermi Level" -msgstr "" +msgstr "Fermi Level" #: qtplugins/yaehmop/yaehmop.cpp:534 msgid "Cannot find Yaehmop" -msgstr "" +msgstr "Cannot find Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:545 -#, fuzzy, qt-format -#| msgid "MOPAC failed to start." +#, qt-format msgid "Error: %1 failed to start" -msgstr "MOPAC failed to start." +msgstr "Error: %1 failed to start" #: qtplugins/yaehmop/yaehmop.cpp:596 msgid "Yaehmop Input" -msgstr "" +msgstr "Yaehmop Input" #: qtplugins/yaehmop/yaehmop.h:39 msgid "Yaehmop" -msgstr "" +msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:88 msgid "Perform extended Hückel calculations with yaehmop." -msgstr "" +msgstr "Perform extended Hückel calculations with yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" -msgstr "" +msgstr "Dialogue" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) @@ -5059,12 +4923,12 @@ msgstr "Form" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" -msgstr "" +msgstr "Calculation Settings" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" -msgstr "" +msgstr "Placeholder text…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) @@ -5073,33 +4937,32 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" -msgstr "" +msgstr "Reset" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" -msgstr "" +msgstr "Debug Script…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" -msgstr "" +msgstr "Submit Calculation…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -#, fuzzy msgid "Save Input…" -msgstr "&Save Image..." +msgstr "Save Input…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" -msgstr "" +msgstr "Queue and Program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" -msgstr "" +msgstr "Refresh" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) @@ -5107,11 +4970,13 @@ msgid "" "

Number of processor cores to reserve for this job." msgstr "" +"

Number of processor cores to reserve for this " +"job.

" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" -msgstr "" +msgstr "Processor cores:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) @@ -5120,11 +4985,14 @@ msgid "" "Results will still be copied to the local MoleQueue job cache first.

" msgstr "" +"

Delete remote working files upon job completion. " +"Results will still be copied to the local MoleQueue job cache " +"first.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" -msgstr "" +msgstr "Delete remote files when finished:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) @@ -5132,11 +5000,13 @@ msgid "" "

Check to prevent this job from showing up in the " "MoleQueue GUI by default.

" msgstr "" +"

Check to prevent this job from showing up in the " +"MoleQueue GUI by default.

" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" -msgstr "" +msgstr "Hide job in MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) @@ -5144,51 +5014,53 @@ msgid "" "

Show a system popup notification when the job's status " "changes.

" msgstr "" +"

Show a system popup notification when the job's status " +"changes.

" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" -msgstr "" +msgstr "Show progress notifications:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" -msgstr "" +msgstr "Open output when finished:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" -msgstr "" +msgstr "Rename Elements" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" -msgstr "" +msgstr "3DMol HTML Snippet" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" -msgstr "" +msgstr "&Copy to Clipboard" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" -msgstr "" +msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" -msgstr "" +msgstr "Structure Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" -msgstr "" +msgstr "Generate Input From PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" -msgstr "" +msgstr "PDB File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) @@ -5205,62 +5077,62 @@ msgstr "Force Field:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" -msgstr "" +msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" -msgstr "" +msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" -msgstr "" +msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" -msgstr "" +msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" -msgstr "" +msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" -msgstr "" +msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" -msgstr "" +msgstr "Run PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" -msgstr "" +msgstr "Load Existing PQR File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" -msgstr "" +msgstr "PQR File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" -msgstr "" +msgstr "APBS Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" -msgstr "" +msgstr "Save Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" -msgstr "" +msgstr "Run APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) @@ -5269,89 +5141,83 @@ msgstr "Success!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) -#, fuzzy msgid "Load Structure File" -msgstr "Structure:" +msgstr "Load Structure File" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) -#, fuzzy msgid "Load Cube File" -msgstr "Load File..." +msgstr "Load Cube File" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) -#, fuzzy -#| msgid "Partial charge" msgid "Partial Charges" -msgstr "Partial charge" +msgstr "Partial Charges" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) -#, fuzzy -#| msgid "Charge:" msgid "Charge Model:" -msgstr "Charge:" +msgstr "Charge Model:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" -msgstr "" +msgstr "Distance Tolerance:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" -msgstr "" +msgstr "Minimum Distance:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" -msgstr "" +msgstr "Volume Rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" -msgstr "" +msgstr "Cube" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" -msgstr "" +msgstr "Enable volume rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" -msgstr "" +msgstr "Enable surface rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" -msgstr "" +msgstr "Isovalue" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Opacity" -msgstr "" +msgstr "Opacity" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" -msgstr "" +msgstr "Coordinate Editor" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" -msgstr "" +msgstr "Preset:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" -msgstr "" +msgstr "Distance Unit:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" -msgstr "" +msgstr "Ångstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) @@ -5389,21 +5255,41 @@ msgid "" "optimization flags
1 - A " "literal 1 (\"1\"), useful for optimization flags

" msgstr "" +"

Specification of format. Each character indicates a " +"value to write per atom:

# - " +"Atom index (1, 2, ..., numAtoms)
Z - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " +"carbon)
N - Element name (e.g. " +"\"Carbon\")
S - Element symbol (" +"e.g. \"C\" for carbon)
L - Atom " +"label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen)
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate (" +"crystals only)
b - 'b' lattice " +"coordinate (crystals only)
c - " +"'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful for optimization " +"flags
1 - A literal 1 (\"1\"), " +"useful for optimization flags

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help..." -msgstr "" +msgstr "Help..." #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" -msgstr "" +msgstr "Paste" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" -msgstr "" +msgstr "Revert" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) @@ -5413,7 +5299,7 @@ msgstr "Apply" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" -msgstr "" +msgstr "CP2K Input" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) @@ -5434,14 +5320,14 @@ msgstr "Defaults" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation..." -msgstr "" +msgstr "Submit Calculation..." #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File..." -msgstr "" +msgstr "Save File..." #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) @@ -5466,7 +5352,7 @@ msgstr "Title:" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" -msgstr "" +msgstr "Filename Base:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) @@ -5475,7 +5361,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" -msgstr "" +msgstr "job" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) @@ -5492,97 +5378,97 @@ msgstr "Method:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" -msgstr "" +msgstr "Basis set:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" -msgstr "" +msgstr "Functional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" -msgstr "" +msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" -msgstr "" +msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" -msgstr "" +msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" -msgstr "" +msgstr "Poisson EWALD type" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" -msgstr "" +msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" -msgstr "" +msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" -msgstr "" +msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" -msgstr "" +msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" -msgstr "" +msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" -msgstr "" +msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" -msgstr "" +msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" -msgstr "" +msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" -msgstr "" +msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" -msgstr "" +msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" -msgstr "" +msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" -msgstr "" +msgstr "File extension for Open Babel conversion (default - Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" -msgstr "" +msgstr "Supercell Parameters" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) @@ -5607,7 +5493,7 @@ msgstr "C repeat:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" -msgstr "" +msgstr "Unit Cell Editor" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) @@ -5627,17 +5513,17 @@ msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" -msgstr "" +msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" -msgstr "" +msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" -msgstr "" +msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) @@ -5661,54 +5547,54 @@ msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" -msgstr "" +msgstr "Cell Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" -msgstr "" +msgstr "Fractional Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" -msgstr "" +msgstr "&Transform Atoms" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" -msgstr "" +msgstr "&Apply" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" -msgstr "" +msgstr "&Revert" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" -msgstr "" +msgstr "&Hide" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" -msgstr "" +msgstr "Scale Unit Cell Volume" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" -msgstr "" +msgstr "New &Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" -msgstr "" +msgstr "&Scaling Factor:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" -msgstr "" +msgstr "Current Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) @@ -5732,26 +5618,26 @@ msgstr "Bond Order:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" -msgstr "" +msgstr "Geometry Optimization Parameters" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" -msgstr "" +msgstr "Convergence Criteria" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" -msgstr "" +msgstr "Energy convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" -msgstr "" +msgstr "Step limit:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) @@ -5760,7 +5646,7 @@ msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" -msgstr "" +msgstr " units" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) @@ -5769,7 +5655,7 @@ msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" -msgstr "" +msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) @@ -5778,33 +5664,33 @@ msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" -msgstr "" +msgstr " steps" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" -msgstr "" +msgstr "Gradient convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" -msgstr "" +msgstr "Optimization Method" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" -msgstr "" +msgstr "Force field:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" -msgstr "" +msgstr "Autodetect" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) @@ -5834,12 +5720,12 @@ msgstr "Charge:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" -msgstr "" +msgstr "Import From PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" -msgstr "" +msgstr "Search" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) @@ -5849,140 +5735,118 @@ msgstr "name" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" -msgstr "" +msgstr "tag" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" -msgstr "" +msgstr "synonym" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" -msgstr "" +msgstr "formula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" -msgstr "" +msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " -msgstr "" +msgstr "Search By: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" -msgstr "" +msgstr "Formula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" -msgstr "" +msgstr "Download" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" -msgstr "" +msgstr "Name:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" -msgstr "" +msgstr "Insert Nucleic Acids" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" -msgstr "" +msgstr "DNA/RNA Builder" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) -#, fuzzy -#| msgid "N/A" msgid "DNA" -msgstr "N/A" +msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) -#, fuzzy -#| msgid "N/A" msgid "RNA" -msgstr "N/A" +msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) -#, fuzzy -#| msgid "Nucleus:" msgid "Nucleic Acids:" -msgstr "Nucleus:" +msgstr "Nucleic Acids:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) -#, fuzzy -#| msgid "Alanine" msgid "Adenine" -msgstr "Alanine" +msgstr "Adenine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) -#, fuzzy -#| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) -#, fuzzy -#| msgid "Tyrosine" msgid "Cytosine" -msgstr "Tyrosine" +msgstr "Cytosine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) -#, fuzzy -#| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) -#, fuzzy -#| msgid "Alanine" msgid "Guanine" -msgstr "Alanine" +msgstr "Guanine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) -#, fuzzy -#| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) -#, fuzzy -#| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) -#, fuzzy -#| msgid "Frequencies" msgid "Sequence:" -msgstr "Frequencies" +msgstr "Sequence:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" -msgstr "" +msgstr "the number of base pairs per helix turn" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) @@ -6003,33 +5867,27 @@ msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) -#, fuzzy -#| msgid "Other" msgid "Other" msgstr "Other" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" -msgstr "" +msgstr "Bases Per Turn:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" -msgstr "" +msgstr "Strands:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) -#, fuzzy -#| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Single" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) -#, fuzzy -#| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Double" @@ -6039,43 +5897,41 @@ msgstr "Double" #. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) msgid "Insert" -msgstr "" +msgstr "Insert" #. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -#, fuzzy -#| msgid "Insert Fragment" msgid "Insert Fragment…" -msgstr "Insert Fragment" +msgstr "Insert Fragment…" #. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" -msgstr "" +msgstr "Filter:" #. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." -msgstr "" +msgstr "Type a name or part of a name to show only matching files." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" -msgstr "" +msgstr "LAMMPS Input" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" -msgstr "" +msgstr "Input file comments" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." -msgstr "" +msgstr "Select the unit style to be used during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) @@ -6095,67 +5951,79 @@ msgid "" "#0057ae;\">http://lammps.sandia.gov/doc/units.html

" msgstr "" +"\n" +"\n" +"

http://lammps.sandia.gov/doc/units.html

" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" -msgstr "" +msgstr "Units" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" -msgstr "" +msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" -msgstr "" +msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" -msgstr "" +msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" -msgstr "" +msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" -msgstr "" +msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" -msgstr "" +msgstr "electron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" -msgstr "" +msgstr "Water Potential" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" -msgstr "" +msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" -msgstr "" +msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." -msgstr "" +msgstr "Select atom_style used by the data file." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) @@ -6175,108 +6043,120 @@ msgid "" "color:#0057ae;\">http://lammps.sandia.gov/doc/atom_style.html" msgstr "" +"\n" +"\n" +"

http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" -msgstr "" +msgstr "Atom Style" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" -msgstr "" +msgstr "angle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" -msgstr "" +msgstr "atomic" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" -msgstr "" +msgstr "bond" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" -msgstr "" +msgstr "charge" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" -msgstr "" +msgstr "dipole" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" -msgstr "" +msgstr "ellipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" -msgstr "" +msgstr "full" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" -msgstr "" +msgstr "line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" -msgstr "" +msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" -msgstr "" +msgstr "molecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" -msgstr "" +msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" -msgstr "" +msgstr "sphere" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" -msgstr "" +msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" -msgstr "" +msgstr "wavepacket" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." -msgstr "" +msgstr "Specify the name to be used for the coordinate file." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" -msgstr "" +msgstr "Coordinate Data File" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" -msgstr "" +msgstr "Ensemble" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" -msgstr "" +msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" -msgstr "" +msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) @@ -6285,19 +6165,19 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" -msgstr "" +msgstr "Temperature" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." -msgstr "" +msgstr "Select the number of Nosé-Hoover chains in the NVT ensemble." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" -msgstr "" +msgstr "NH Chains" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) @@ -6310,40 +6190,41 @@ msgstr "" msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" +"Time step for the simulation in units according to \"Units\" specification." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" -msgstr "" +msgstr "Time Step" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." -msgstr "" +msgstr "Filename of the XYZ file to write during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" -msgstr "" +msgstr "Dump XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." -msgstr "" +msgstr "Number of dimensions in the system." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" -msgstr "" +msgstr "Dimensions" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." -msgstr "" +msgstr "Change Z boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) @@ -6352,7 +6233,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" -msgstr "" +msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) @@ -6361,7 +6242,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" -msgstr "" +msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) @@ -6370,7 +6251,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" -msgstr "" +msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) @@ -6379,7 +6260,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" -msgstr "" +msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) @@ -6388,7 +6269,7 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" -msgstr "" +msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) @@ -6397,161 +6278,161 @@ msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" -msgstr "" +msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." -msgstr "" +msgstr "Change Y boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." -msgstr "" +msgstr "Change X boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." -msgstr "" +msgstr "Select boundary Styles in X, Y and Z directions." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" -msgstr "" +msgstr "Boundary" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." -msgstr "" +msgstr "Number of replicants in X, Y and Z directions." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" -msgstr "" +msgstr "Replicate" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." -msgstr "" +msgstr "Replicate the X direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." -msgstr "" +msgstr "Replicate the Y direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." -msgstr "" +msgstr "Replicate the Z direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." -msgstr "" +msgstr "Total number of timesteps to run the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" -msgstr "" +msgstr "Total Steps" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" -msgstr "" +msgstr "Dump Interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." -msgstr "" +msgstr "Set the initial atom velocities for the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" -msgstr "" +msgstr "Initial Velocities" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." -msgstr "" +msgstr "Select the distribution of initial atom velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" -msgstr "" +msgstr "gaussian" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" -msgstr "" +msgstr "uniform" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." -msgstr "" +msgstr "Set the initial atom velocities to match this temperature." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." -msgstr "" +msgstr "Remove system linear momentum from initial velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" -msgstr "" +msgstr "Zero Linear Momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." -msgstr "" +msgstr "Remove system angular momentum from initial velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" -msgstr "" +msgstr "Zero Angular Momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." -msgstr "" +msgstr "Control the thermodynamic output during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" -msgstr "" +msgstr "Output" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" -msgstr "" +msgstr "Output Interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" -msgstr "" +msgstr "2D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" -msgstr "" +msgstr "3D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." -msgstr "" +msgstr "Thermodynamic output style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" -msgstr "" +msgstr "One Line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" -msgstr "" +msgstr "Multi Line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) @@ -6565,12 +6446,12 @@ msgstr "Use Form" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate..." -msgstr "" +msgstr "Generate..." #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" -msgstr "" +msgstr "Descriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) @@ -6585,42 +6466,37 @@ msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" -msgstr "" +msgstr "Translate by:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:159 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" -msgstr "" +msgstr "X-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:166 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" -msgstr "" +msgstr "Y-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:173 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" -msgstr "" +msgstr "Z-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_2) -#, fuzzy -#| msgid "Foreground:" msgid "Rotate around:" -msgstr "Foreground:" +msgstr "Rotate around:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:188 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) -#, fuzzy -#| msgid "Origin:" msgid "Origin" -msgstr "Origin:" +msgstr "Origin" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:193 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) -#, fuzzy msgid "Geometry" -msgstr "&Optimize Geometry" +msgstr "Geometry" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, moleculeNameLabel) @@ -6638,12 +6514,12 @@ msgstr "TODO" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" -msgstr "" +msgstr "Optimization algorithm:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" -msgstr "" +msgstr "Line search technique:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) @@ -6653,145 +6529,144 @@ msgstr "Steepest Descent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" -msgstr "" +msgstr "Conjugate Gradient" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" -msgstr "" +msgstr "Simple" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" -msgstr "" +msgstr "Newton's Method" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" -msgstr "" +msgstr "Limit Non-Bonded Interactions" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" -msgstr "" +msgstr "Van der Waals cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" -msgstr "" +msgstr "Pair update frequency:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" -msgstr "" +msgstr "electrostatic cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" -msgstr "" +msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" -msgstr "" +msgstr "\"Energy\" convergence:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" -msgstr "" +msgstr "OpenMM Script Builder" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" -msgstr "" +msgstr "Job script:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" -msgstr "" +msgstr "script" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" -msgstr "" +msgstr "Input Coords:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" -msgstr "" +msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" -msgstr "" +msgstr "Input Topology:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) -#, fuzzy msgid "Forcefield:" msgstr "Force Field:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" -msgstr "" +msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" -msgstr "" +msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" -msgstr "" +msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" -msgstr "" +msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" -msgstr "" +msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" -msgstr "" +msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" -msgstr "" +msgstr "Water Model:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" -msgstr "" +msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" -msgstr "" +msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" -msgstr "" +msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" -msgstr "" +msgstr "Implicit Solvent (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" -msgstr "" +msgstr "Platform:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) @@ -6801,110 +6676,107 @@ msgstr "Reference" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" -msgstr "" +msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" -msgstr "" +msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" -msgstr "" +msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" -msgstr "" +msgstr "Precision:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) -#, fuzzy msgid "single" -msgstr "Single" +msgstr "single" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" -msgstr "" +msgstr "mixed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) -#, fuzzy msgid "double" -msgstr "Double" +msgstr "double" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" -msgstr "" +msgstr "Device Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" -msgstr "" +msgstr "OpenCL Platform Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" -msgstr "" +msgstr "Nonbonded method:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" -msgstr "" +msgstr "NoCutoff" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" -msgstr "" +msgstr "CutoffNonPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" -msgstr "" +msgstr "CutoffPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" -msgstr "" +msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" -msgstr "" +msgstr "Ewald Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) -#, fuzzy msgid "Constraints:" -msgstr "Constraints" +msgstr "Constraints:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" -msgstr "" +msgstr "HBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" -msgstr "" +msgstr "AllBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" -msgstr "" +msgstr "HAngles" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" -msgstr "" +msgstr "Constraint Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" -msgstr "" +msgstr "Rigid water?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) @@ -6913,27 +6785,27 @@ msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" -msgstr "" +msgstr "False" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" -msgstr "" +msgstr "Nonbonded cutoff:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" -msgstr "" +msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" -msgstr "" +msgstr "Random initial velocity:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" -msgstr "" +msgstr "Generation Temp.:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) @@ -6945,57 +6817,57 @@ msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" -msgstr "" +msgstr "Integrator:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" -msgstr "" +msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" -msgstr "" +msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" -msgstr "" +msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" -msgstr "" +msgstr "VariableLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" -msgstr "" +msgstr "VariableVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" -msgstr "" +msgstr "Timestep:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" -msgstr "" +msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" -msgstr "" +msgstr "Error tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" -msgstr "" +msgstr "Collision rate:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" -msgstr "" +msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) @@ -7005,142 +6877,142 @@ msgstr "Temperature:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" -msgstr "" +msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" -msgstr "" +msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" -msgstr "" +msgstr "Pressure:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" -msgstr "" +msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" -msgstr "" +msgstr "Barostat Interval" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" -msgstr "" +msgstr "Reporters:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" -msgstr "" +msgstr "StateData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" -msgstr "" +msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" -msgstr "" +msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" -msgstr "" +msgstr "Report Interval:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" -msgstr "" +msgstr "Equilibration Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" -msgstr "" +msgstr "Production Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" -msgstr "" +msgstr "Minimize?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" -msgstr "" +msgstr "Max. Minimize Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" -msgstr "" +msgstr "StateData options:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" -msgstr "" +msgstr "Step Index" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" -msgstr "" +msgstr "Time" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" -msgstr "" +msgstr "Speed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" -msgstr "" +msgstr "Progress" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" -msgstr "" +msgstr "Potential Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" -msgstr "" +msgstr "Kinetic Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" -msgstr "" +msgstr "Total Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" -msgstr "" +msgstr "Volume" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) msgid "Density" -msgstr "" +msgstr "Density" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" -msgstr "" +msgstr "PDF Plot Options" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" -msgstr "" +msgstr "Maximum Radius:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" -msgstr "" +msgstr "Step (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" -msgstr "" +msgstr "Theoretical XRD Pattern Options" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) @@ -7148,6 +7020,8 @@ msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" +"

The broadening of the peak at the base (in " +"degrees).

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) @@ -7155,6 +7029,8 @@ msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" +"

The max 2theta value in degrees.

Default: 162." +"00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) @@ -7162,22 +7038,23 @@ msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" +"

The broadening of the peaks at the base in " +"degrees.

Default: 0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" -msgstr "" +msgstr "Number of points:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" -msgstr "" +msgstr "Peak width:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) -#, fuzzy msgid "Wavelength:" -msgstr "Wavelength (nm)" +msgstr "Wavelength:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) @@ -7185,6 +7062,8 @@ msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" +"

The wavelength of the x-ray in Ångstroms. " +"

Default: 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) @@ -7192,31 +7071,33 @@ msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" +"

The number of 2theta points to generate.

Default:" +" 1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" -msgstr "" +msgstr "Max 2*theta:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) msgid "Download Plugins..." -msgstr "" +msgstr "Download Plugins..." #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" -msgstr "" +msgstr "Download Selected" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" -msgstr "" +msgstr "Critical Point Radius:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" -msgstr "" +msgstr "Bond Path Radius:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) @@ -7226,17 +7107,17 @@ msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" -msgstr "" +msgstr "Constant Size" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" -msgstr "" +msgstr "Apply Colour" #. i18n: file: qtplugins/spectra/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" -msgstr "" +msgstr "Vibrational Modes" #. i18n: file: qtplugins/spectra/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) @@ -7245,13 +7126,11 @@ msgstr "Amplitude:" #. i18n: file: qtplugins/spectra/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) -#, fuzzy msgid "Start Animation" msgstr "Start &Animation" #. i18n: file: qtplugins/spectra/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) -#, fuzzy msgid "Stop Animation" msgstr "Stop &Animation" @@ -7263,29 +7142,25 @@ msgstr "Create Surfaces" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" -msgstr "" +msgstr "Surface:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" -msgstr "" +msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" -msgstr "" +msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) -#, fuzzy msgid "Color by:" -msgstr "Color By:" +msgstr "Colour by:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) -#, fuzzy -#| msgctxt "Electrostatic potential surface type" -#| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Electrostatic Potential" @@ -7297,7 +7172,7 @@ msgstr "Resolution:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" -msgstr "" +msgstr "Very Low" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) @@ -7321,26 +7196,22 @@ msgstr "High" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" -msgstr "" +msgstr "Very High" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" -msgstr "" +msgstr "&Isosurface Value:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) -#, fuzzy -#| msgid " K" msgid " " -msgstr " K" +msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) -#, fuzzy -#| msgid "Nothing" msgid "Smoothing:" -msgstr "Nothing" +msgstr "Smoothing:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) @@ -7349,10 +7220,8 @@ msgstr "Light" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) -#, fuzzy -#| msgid "Strontium" msgid "Strong" -msgstr "Strontium" +msgstr "Strong" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) @@ -7362,12 +7231,12 @@ msgstr "Calculate" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) msgid "Record Movie..." -msgstr "" +msgstr "Record Movie..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" -msgstr "" +msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) @@ -7377,256 +7246,239 @@ msgstr "Molecule" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" -msgstr "" +msgstr "Symmetrically equivalent atoms:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" -msgstr "" +msgstr "Lock Symmetry" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" -msgstr "" +msgstr "Operations" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" -msgstr "" +msgstr "Symmetry elements:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" -msgstr "" +msgstr "Subgroups" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" -msgstr "" +msgstr "Subgroups:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" -msgstr "" +msgstr "Tolerance:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" -msgstr "" +msgstr "Tight" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" -msgstr "" +msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" -msgstr "" +msgstr "Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" -msgstr "" +msgstr "Very Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" -msgstr "" +msgstr "Detect Symmetry" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" -msgstr "" +msgstr "Centres" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) -#, fuzzy -#| msgid "Partial Charge" msgid "Formal Charge:" -msgstr "Partial Charge" +msgstr "Formal Charge:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" -msgstr "" +msgstr "0" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" -msgstr "" +msgstr "+1" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" -msgstr "" +msgstr "+2" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" -msgstr "" +msgstr "+3" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" -msgstr "" +msgstr "+4" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" -msgstr "" +msgstr "+5" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" -msgstr "" +msgstr "+6" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" -msgstr "" +msgstr "+7" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) -#, fuzzy msgid "Coordination:" -msgstr "Cartesian coordinates editor" +msgstr "Coordination:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" -msgstr "" +msgstr "6: Octahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) -#, fuzzy -#| msgid "Linear" msgid "1: Linear" -msgstr "Linear" +msgstr "1: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) -#, fuzzy -#| msgid "Linear" msgid "2: Linear" -msgstr "Linear" +msgstr "2: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" -msgstr "" +msgstr "3: Trigonal Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" -msgstr "" +msgstr "4: Tetrahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" -msgstr "" +msgstr "4: Square Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" -msgstr "" +msgstr "5: Trigonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" -msgstr "" +msgstr "5: Square Pyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" -msgstr "" +msgstr "6: Trigonal Prism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" -msgstr "" +msgstr "7: Pentagonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" -msgstr "" +msgstr "8: Square Antiprism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" -msgstr "" +msgstr "Ligands" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) -#, fuzzy -#| msgid "Type" msgid "Type:" -msgstr "Type" +msgstr "Type:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" -msgstr "" +msgstr "Monodentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" -msgstr "" +msgstr "Bidentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) -#, fuzzy -#| msgid "Transition State" msgid "Tridentate" -msgstr "Transition State" +msgstr "Tridentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) -#, fuzzy -#| msgid "Transition State" msgid "Tetradentate" -msgstr "Transition State" +msgstr "Tetradentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) -#, fuzzy -#| msgid "Transition State" msgid "Hexadentate" -msgstr "Transition State" +msgstr "Hexadentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" -msgstr "" +msgstr "Haptic" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) -#, fuzzy -#| msgid "DFT Functional:" msgid "Functional Groups" -msgstr "DFT Functional:" +msgstr "Functional Groups" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:366 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" -msgstr "" +msgstr "From Clipboard" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:389 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" -msgstr "" +msgstr "Ligand:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" -msgstr "" +msgstr "Yaehmop Band" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " -msgstr "" +msgstr "Min y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) @@ -7634,9 +7486,8 @@ msgstr "" #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) -#, fuzzy msgid " eV" -msgstr "eV" +msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) @@ -7650,11 +7501,19 @@ msgid "" "level is set in the spinbox on the right.

Default: off

" msgstr "" +"

The Fermi level should be known before checking this " +"box. You can discover the Fermi level by performing a density-of-states " +"calculation and displaying the data (it will be at the top of the data). In " +"addition, if a density-of-states calculation is performed, the Fermi level " +"here will automatically be set to what was detected during the density-of-" +"states calculation.

If this box is checked, be sure the correct Fermi " +"level is set in the spinbox on the right.

Default: " +"off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" -msgstr "" +msgstr "Plot Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) @@ -7663,31 +7522,34 @@ msgid "" "Only available if we are plotting the Fermi level.


Default: off

" msgstr "" +"

Adjust the energies so that the zero is the Fermi? " +"Only available if we are plotting the Fermi level.


Default:" +" off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" -msgstr "" +msgstr "Zero Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" -msgstr "" +msgstr "# of k-points connecting special k-points:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" -msgstr "" +msgstr "Special k-points" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " -msgstr "" +msgstr "Max y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

The Fermi Level

" -msgstr "" +msgstr "

The Fermi Level

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) @@ -7704,6 +7566,17 @@ msgid "" "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

" msgstr "" +"

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " +"<x> <y> <z> where x, y, and z are fractional reciprocal " +"space coordinates. Lines will be drawn connecting these k-points on the " +"graph in the order you put them in. Please note that the orientation of your " +"cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " +"special k points will be automatically filled up with the primitive cell " +"high symmetry points for that space group. There are a few space groups will " +"different high symmetry points depending on the lattice (such as if a > b " +"or a < b) - that is taken into account automatically.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) @@ -7719,6 +7592,16 @@ msgid "" "right:0px; -qt-block-indent:0; text-indent:0px;\">GM 0.0 0.0 0.0

" msgstr "" +"\n" +"\n" +"

GM 0.0 0.0 0.0

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) @@ -7727,6 +7610,9 @@ msgid "" "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

Default: 40

" msgstr "" +"

Enter the number of k-points that will be connecting " +"the special k-points. More of these k-points will smooth out the graph, but " +"the calculation may take longer.

Default: 40

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) @@ -7734,11 +7620,13 @@ msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" +"

Limit the y-range in the plot?

Default: " +"off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" -msgstr "" +msgstr "Limit y-range?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) @@ -7752,41 +7640,75 @@ msgid "" "p>

If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


" msgstr "" +"

The number of periodic dimensions.


If this is set to 1, the material will be periodic only along the A " +"vector of the crystal.


If this is set to 2, the material " +"will be periodic along both the A and B vectors of the crystal.


If this is set to 3, the material will be periodic along the A, B, and " +"C vectors of the crystal.


" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) -#, fuzzy -#| msgid "Number of Bonds:" msgid "Number of Dimensions:" -msgstr "Number of Bonds:" +msgstr "Number of Dimensions:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" -msgstr "" +msgstr "Display Yaehmop Input?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" -",Launchpad Contributions:,Itai Molenaar, ,Launchpad Contributions:,Itai " -"Molenaar, ,Launchpad Contributions:,Brian Burns,Itai Molenaar, ,Launchpad " -"Contributions:,Brian Burns,Itai Molenaar, ,Launchpad Contributions:,Brian " -"Burns,Itai Molenaar, ,Launchpad Contributions:,Brian Burns,Itai Molenaar," -"Luke Hollins, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Itai " -"Molenaar,Ken Sharp,Luke Hollins, ,Launchpad Contributions:,Avogadro Team," -"Brian Burns,Itai Molenaar,Ken Sharp,Luke Hollins, ,Launchpad Contributions:," -"Avogadro Team,Brian Burns,Itai Molenaar,Ken Sharp,Luke Hollins, ,Launchpad " -"Contributions:,Avogadro Team,Brian Burns,Itai Molenaar,Ken Sharp,Luke " -"Hollins, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Itai Molenaar," -"Luke Hollins, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Itai " -"Molenaar,Luke Hollins, ,Launchpad Contributions:,Avogadro Team,Brian Burns," -"Itai Molenaar,Luke Hollins" +",Launchpad Contributions:,Andres Montejo Martinez,DiegoJ,Edgardo Fredz," +"Enterhase,Feder Sáiz,Federico Vera,Gabriel Ruiz,Geoff Hutchison,Gothmog," +"Javier García Díaz,Luis J. Claros,Pablo Catarecha,Rogelio Castillo A.," +"cocoloco, ,Launchpad Contributions:,Gabriel Ruiz,Geoff Hutchison,Jen Ockwell," +"Marcus D. Hanwell,kuede, ,Launchpad Contributions:,Avogadro Team, ,Launchpad " +"Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Marcus D. Hanwell, ," +"Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Marcus D. " +"Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " +"Hutchison,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro " +"Team,Brian Burns,Geoff Hutchison,Marcus D. Hanwell,ascenseur, ,Launchpad " +"Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Ken Sharp,Marcus D. " +"Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " +"Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:," +"Avogadro Team,Brian Burns,Geoff Hutchison,Ken Sharp,Marcus D. Hanwell," +"ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " +"Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:," +"Andi Chandler,Anthony Harrington,Avogadro Team,Brian Burns,Chris Woollard," +"Geoff Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad " +"Contributions:,Andi Chandler,Anthony Harrington,Avogadro Team,Brian Burns," +"Chris Woollard,Geoff Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ," +"Launchpad Contributions:,Andi Chandler,Anthony Harrington,Avogadro Team," +"Brian Burns,Chris Woollard,Geoff Hutchison,Ken Sharp,Marcus D. Hanwell," +"ascenseur" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" -",,bburns@aundae.com,debianmaster@gmail.com,jenfraggleubuntu@googlemail." -"com,,,,,bburns@aundae.com" +",,Nathan_chud@hotmail.com,diegojromerolopez@gmail.com,medeshago@gmail.com," +"patricio.oshee@gmail.com,federsaiz@googlemail.com,,debianmaster@gmail." +"com,,,,,pczoido@gmail.com,,jalvarezrom@gmail.com,,,debianmaster@gmail.com,," +"jenfraggleubuntu@googlemail.com,,,,,avogadro-devel@lists.sourceforge.net,,," +"avogadro-devel@lists.sourceforge.net,bburns@aundae.com,,,,,avogadro-" +"devel@lists.sourceforge.net,bburns@aundae.com,,,joseph.odell@googlemail." +"com,,,avogadro-devel@lists.sourceforge.net,bburns@aundae.com,,,joseph." +"odell@googlemail.com,,,avogadro-devel@lists.sourceforge.net,bburns@aundae." +"com,,,joseph.odell@googlemail.com,,,avogadro-devel@lists.sourceforge.net," +"bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-devel@lists." +"sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-" +"devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail." +"com,,,avogadro-devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph." +"odell@googlemail.com,,,,untaintableangel@ubuntu.com,avogadro-devel@lists." +"sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph." +"odell@googlemail.com,,,,untaintableangel@ubuntu.com,avogadro-devel@lists." +"sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph." +"odell@googlemail.com,,,,,avogadro-devel@lists.sourceforge.net,bburns@aundae." +"com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com" + +#~ msgid "Connection failed" +#~ msgstr "Connection failed" #, fuzzy #~ msgid "Filename" @@ -7797,7 +7719,7 @@ msgstr "" #, fuzzy #~ msgid "YAeHMOP Band Structure" -#~ msgstr "Structure:" +#~ msgstr "Load File" #, fuzzy #~ msgid "Navigate Back" @@ -7822,9 +7744,10 @@ msgstr "" #~ msgstr "All files" #, fuzzy -#~| msgid "Dihedral:" +#~| msgctxt "Lattice type" +#~| msgid "Rhombohedral" #~ msgid "octahedral" -#~ msgstr "Dihedral:" +#~ msgstr "Rhombohedral" #, fuzzy #~| msgid "Molecule" @@ -7837,7 +7760,14 @@ msgstr "" #, fuzzy #~ msgid "&GAMESS..." -#~ msgstr "&GAMESS" +#~ msgstr "&GAMESS-UK..." + +#~ msgid "Fragment..." +#~ msgstr "Fragment..." + +#, fuzzy +#~ msgid "Crystal..." +#~ msgstr "Crystal..." #~ msgid "SMILES..." #~ msgstr "SMILES..." @@ -7865,6 +7795,10 @@ msgstr "" #~ msgid "Create Surfaces..." #~ msgstr "Create Surfaces..." +#, fuzzy +#~ msgid "Symmetry..." +#~ msgstr "Symmetry" + #~ msgid "Insert Fragment..." #~ msgstr "Insert Fragment..." @@ -7878,34 +7812,36 @@ msgstr "" #~ msgid "Rotatable" #~ msgstr "Rotatable" -#, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" -#~ msgstr "Conformer %1" +#~ msgstr "" +#~ "Conformer %1\n" +#~ "Length %2" -#, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" -#~ msgstr "Conformer %1" +#~ msgstr "" +#~ "Conformer %1\n" +#~ "Angle %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" -#, fuzzy #~ msgid "Angle" -#~ msgstr "Angle:" +#~ msgstr "Angle" -#, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" -#~ msgstr "Conformer %1" +#~ msgstr "" +#~ "Conformer %1\n" +#~ "Torsion %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" @@ -7914,13 +7850,11 @@ msgstr "" #~ msgid "Torsion" #~ msgstr "Torsion" -#, fuzzy #~ msgid "Energy (kJ/mol)" -#~ msgstr "Energy (kJ/mol):" +#~ msgstr "Energy (kJ/mol)" -#, fuzzy #~ msgid "Conformer" -#~ msgstr "Conformer %1" +#~ msgstr "Conformer" #~ msgid "Yes" #~ msgstr "Yes" @@ -7942,9 +7876,8 @@ msgstr "" #~ msgid "Insert SMILES fragment:" #~ msgstr "Insert SMILES fragment:" -#, fuzzy #~ msgid "Insert Crystal" -#~ msgstr "Insert Fragment" +#~ msgstr "Insert Crystal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Insert molecular fragments for building larger molecules" @@ -7952,9 +7885,12 @@ msgstr "" #~ msgid "E&xtensions" #~ msgstr "E&xtensions" +#~ msgid "Symmetry Properties..." +#~ msgstr "Symmetry Properties..." + #, fuzzy #~ msgid "Optimize geometry" -#~ msgstr "&Optimize Geometry" +#~ msgstr "&Optimise Geometry" #, fuzzy #~ msgid "Configure geometry optimization..." @@ -7996,6 +7932,9 @@ msgstr "" #~ msgid "Color by distance from the first atom." #~ msgstr "Colour by distance from the first atom." +#~ msgid "Color by Element" +#~ msgstr "Colour by Element" + #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Colour by Element (carbon = grey, oxygen = red, ...)." @@ -8006,7 +7945,7 @@ msgstr "" #~ msgstr "SMARTS Pattern:" #~ msgid "Highlight Color:" -#~ msgstr "Highlight Colour:" +#~ msgstr "Highlight Color:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Colour by SMARTS Pattern" @@ -8032,9 +7971,15 @@ msgstr "" #~ msgid "Axes" #~ msgstr "Axes" +#~ msgid "Renders the x, y, and z axes at the origin" +#~ msgstr "Renders the x, y and z axes at the origin" + #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Renders primitives using Balls (atoms) and Sticks (bonds)" +#~ msgid "Dipole" +#~ msgstr "Dipole" + #~ msgid "Hydrogen Bond" #~ msgstr "Hydrogen Bond" @@ -8042,7 +7987,7 @@ msgstr "" #~ msgstr "Renders hydrogen bonds" #~ msgid "Select Atom Labels Color" -#~ msgstr "Select Atom Labels Colour" +#~ msgstr "Select Atom Labels Color" #~ msgid "Select Bond Labels Color" #~ msgstr "Select Bond Labels Colour" @@ -8088,6 +8033,15 @@ msgstr "" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "Renders bonds as wires (lines), ideal for very large (bio)molecules" +#~ msgid "Trajectory files" +#~ msgstr "Trajectory files" + +#~ msgid "DL-POLY HISTORY files" +#~ msgstr "DL-POLY HISTORY files" + +#~ msgid "Open Trajectory File" +#~ msgstr "Open Trajectory File" + #~ msgid "%1/%2" #~ msgstr "%1/%2" @@ -8107,7 +8061,7 @@ msgstr "" #~ msgstr "Must specify a valid .avi file name" #~ msgid "GL widget was not correctly initialized in order to save video" -#~ msgstr "GL widget was not correctly initialized in order to save video" +#~ msgstr "GL widget was not correctly initialised in order to save video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Invalid video filename. Must include full directory path" @@ -8119,6 +8073,9 @@ msgstr "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" +#~ msgid "Could not determine format from filename: %1" +#~ msgstr "Could not determine format from filename: %1" + #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animate trajectories, reactions, and vibrations." @@ -8163,9 +8120,275 @@ msgstr "" #~ msgstr "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" +#~ msgid "&Crystallography" +#~ msgstr "&Crystallography" + +#~ msgid "&Reduce" +#~ msgstr "&Reduce" + +#~ msgid "&Settings" +#~ msgstr "&Settings" + +#~ msgid "&Length Unit" +#~ msgstr "&Length Unit" + +#~ msgid "&Angle Unit" +#~ msgstr "&Angle Unit" + +#~ msgid "&Coordinate Display" +#~ msgstr "&Coordinate Display" + +#~ msgid "Coordinate &Preservation" +#~ msgstr "Coordinate &Preservation" + +#~ msgid "&Matrix Display" +#~ msgstr "&Matrix Display" + +#~ msgid "Hide &Editors" +#~ msgstr "Hide &Editors" + +#~ msgid "Show &Editors" +#~ msgstr "Show &Editors" + +#~ msgid "Hide &Property Display" +#~ msgstr "Hide &Property Display" + +#~ msgid "Show &Property Display" +#~ msgstr "Show &Property Display" + +#~ msgctxt "Unit cell lattice" +#~ msgid "Lattice Type: %1" +#~ msgstr "Lattice Type: %1" + +#~ msgid "Spacegroup: %1" +#~ msgstr "Space group: %1" + +#~ msgid "Unit cell volume: %L1%2" +#~ msgstr "Unit cell volume: %L1%2" + #~ msgid "Undefined" #~ msgstr "Undefined" +#~ msgctxt "Lattice type" +#~ msgid "Triclinic" +#~ msgstr "Triclinic" + +#~ msgctxt "Lattice type" +#~ msgid "Monoclinic" +#~ msgstr "Monoclinic" + +#~ msgctxt "Lattice type" +#~ msgid "Orthorhombic" +#~ msgstr "Orthorhombic" + +#~ msgctxt "Lattice type" +#~ msgid "Tetragonal" +#~ msgstr "Tetragonal" + +#~ msgctxt "Lattice type" +#~ msgid "Hexagonal" +#~ msgstr "Hexagonal" + +#~ msgctxt "Lattice type" +#~ msgid "Cubic" +#~ msgstr "Cubic" + +#~ msgid "Paste Crystal" +#~ msgstr "Paste Crystal" + +#~ msgid "" +#~ "Niggli-reduction failed. The input structure's lattice that is confusing " +#~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " +#~ "2 orders of magnitude smaller than the tolerance) to the input lattices " +#~ "and try again." +#~ msgstr "" +#~ "Niggli-reduction failed. The input structure's lattice is confusing the " +#~ "Niggli-reduction algorithm. Try making a small perturbation (approx. 2 " +#~ "orders of magnitude smaller than the tolerance) to the input lattices and " +#~ "try again." + +#~ msgid "" +#~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " +#~ "Stopping." +#~ msgstr "" +#~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " +#~ "Stopping." + +#~ msgid "&Translate Atoms..." +#~ msgstr "&Translate Atoms..." + +#~ msgid "Rotate To Standard &Orientation" +#~ msgstr "Rotate To Standard &Orientation" + +#~ msgid "&Slab..." +#~ msgstr "&Slab..." + +#~ msgid "Perceive Space&group..." +#~ msgstr "Perceive Space &group..." + +#~ msgid "Set &Spacegroup..." +#~ msgstr "Set &Space group..." + +#~ msgid "&Fill Unit Cell" +#~ msgstr "&Fill Unit Cell" + +#~ msgid "Fill the unit cell using current spacegroup." +#~ msgstr "Fill the unit cell using current space group." + +#~ msgid "Reduce to &Asymmetric Unit" +#~ msgstr "Reduce to &Asymmetric Unit" + +#~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." +#~ msgstr "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." + +#~ msgid "Sy&mmetrize Crystal" +#~ msgstr "Sy&mmetrise Crystal" + +#~ msgid "Reduce Cell (&Primitive)" +#~ msgstr "Reduce Cell (&Primitive)" + +#~ msgid "&Bohr" +#~ msgstr "&Bohr" + +#~ msgid "&Nanometer" +#~ msgstr "&Nanometre" + +#~ msgid "&Picometer" +#~ msgstr "&Picometre" + +#~ msgid "&Degree" +#~ msgstr "&Degree" + +#~ msgid "&Radian" +#~ msgstr "&Radian" + +#~ msgid "Display &cartesian coordinates" +#~ msgstr "Display &cartesian coordinates" + +#~ msgid "Preserve &Cartesian Coordinates During Cell Modification" +#~ msgstr "Preserve &Cartesian Coordinates During Cell Modification" + +#~ msgid "Preserve &Fractional Coordinates During Cell Modification" +#~ msgstr "Preserve &Fractional Coordinates During Cell Modification" + +#~ msgid "Display &cartesian matrix" +#~ msgstr "Display &cartesian matrix" + +#~ msgid "Display &fractional matrix" +#~ msgstr "Display &fractional matrix" + +#~ msgid "Display as &row vectors" +#~ msgstr "Display as &row vectors" + +#~ msgid "Display as &column vectors" +#~ msgstr "Display as &column vectors" + +#~ msgid "&Crystal View Options..." +#~ msgstr "&Crystal View Options..." + +#~ msgid "" +#~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." +#~ "

Cell can be symmetrized into a conventional setting, do you wish to " +#~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " +#~ "this.

" +#~ msgstr "" +#~ "

Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." +#~ "

Cell can be symmetrised into a conventional setting, do you wish to " +#~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " +#~ "this.

" + +#~ msgid "Set Spacegroup" +#~ msgstr "Set Space group" + +#~ msgid "" +#~ "There is not a spacegroup set for this document.\n" +#~ "\n" +#~ "Would you like to set a spacegroup now?" +#~ msgstr "" +#~ "There is not a space group set for this document.\n" +#~ "\n" +#~ "Would you like to set a space group now?" + +#~ msgid "" +#~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" +#~ "\n" +#~ "Would you like to try again with a different tolerance?" +#~ msgstr "" +#~ "Space group P1 detected -- cannot symmetrise to this space group.\n" +#~ "\n" +#~ "Would you like to try again with a different tolerance?" + +#~ msgid "Symmetrize Crystal" +#~ msgstr "Symmetrise Crystal" + +#~ msgid "Wrap Atoms To Cell" +#~ msgstr "Wrap Atoms To Cell" + +#~ msgid "Reduce to Niggli Cell" +#~ msgstr "Reduce to Niggli Cell" + +#~ msgid "Select tolerance in current cartesian units:" +#~ msgstr "Select tolerance in current cartesian units:" + +#~ msgid "Crystallography" +#~ msgstr "Crystallography" + +#~ msgid "Construct and analyze periodic structures." +#~ msgstr "Construct and analyse periodic structures." + +#~ msgid "" +#~ "The input is not formatted as one of\n" +#~ "the following supported formats:\n" +#~ "\n" +#~ msgstr "" +#~ "The input is not formatted as one of\n" +#~ "the following supported formats:\n" +#~ "\n" + +#~ msgid "VASP Format\n" +#~ msgstr "VASP Format\n" + +#~ msgid "Bad Compostion" +#~ msgstr "Bad Compostion" + +#~ msgid "" +#~ "The identities field must contain the same number of space delimited " +#~ "entries as line 6 of the POSCAR." +#~ msgstr "" +#~ "The identities field must contain the same number of space delimited " +#~ "entries as line 6 of the POSCAR." + +#~ msgid "Cartesian Coordinates" +#~ msgstr "Cartesian Coordinates" + +#~ msgid "Fractional Coordinates" +#~ msgstr "Fractional Coordinates" + +#~ msgctxt "Unit cell matrix, arg is vector style (row or column" +#~ msgid "Cell Matrix (%1)" +#~ msgstr "Cell Matrix (%1)" + +#~ msgid "Set Unit Cell Matrix" +#~ msgstr "Set Unit Cell Matrix" + +#~ msgid "Set Unit Cell Params" +#~ msgstr "Set Unit Cell Params" + +#~ msgid "Working..." +#~ msgstr "Working..." + +#~ msgid "Build" +#~ msgstr "Build" + +#~ msgid "Cut Slab From Crystal" +#~ msgstr "Cut Slab From Crystal" + +#~ msgid "No GLWidget?" +#~ msgstr "No GLWidget?" + +#~ msgid "Please select one or more atoms." +#~ msgstr "Please select one or more atoms." + #~ msgid "Trajectory..." #~ msgstr "Trajectory..." @@ -8175,6 +8398,9 @@ msgstr "" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemical files (*.xyz)" +#~ msgid "Open parameter file" +#~ msgstr "Open parameter file" + #~ msgid "Chemical files (*.parm7)" #~ msgstr "Chemical files (*.parm7)" @@ -8193,6 +8419,16 @@ msgstr "" #~ msgid "Constraints..." #~ msgstr "Constraints..." +#~ msgid "" +#~ "Cannot set up the currently selected force field for this molecule. " +#~ "Switching to UFF." +#~ msgstr "" +#~ "Cannot set up the currently selected force field for this molecule. " +#~ "Switching to UFF." + +#~ msgid "Geometric Optimization" +#~ msgstr "Geometric Optimization" + #~ msgid "Systematic Rotor Search" #~ msgstr "Systematic Rotor Search" @@ -8202,6 +8438,9 @@ msgstr "" #~ msgid "Weighted Rotor Search" #~ msgstr "Weighted Rotor Search" +#~ msgid "Genetic Algorithm Search" +#~ msgstr "Genetic Algorithm Search" + #~ msgid "ForceField" #~ msgstr "ForceField" @@ -8209,7 +8448,7 @@ msgstr "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" -#~ "Optimize molecules and generate conformers using molecular mechanics " +#~ "Optimise molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgid "&Vector Graphics..." @@ -8221,6 +8460,9 @@ msgstr "" #~ msgid "EPS" #~ msgstr "EPS" +#~ msgid "Vector graphics export" +#~ msgstr "Vector graphics export" + #~ msgid "Change H to Methyl" #~ msgstr "Change H to Methyl" @@ -8236,12 +8478,28 @@ msgstr "" #~ msgid "Add or remove hydrogens" #~ msgstr "Add or remove hydrogens" +#~ msgid "Insert DNA/RNA chains" +#~ msgstr "Insert DNA/RNA chains" + #~ msgid "Peptide..." #~ msgstr "Peptide..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Insert oligopeptide sequences" +#~ msgid "Invert Chirality" +#~ msgstr "Invert Chirality" + +#~ msgid "InvertChiral" +#~ msgstr "InvertChiral" + +#~ msgid "Invert chiral centers" +#~ msgstr "Invert chiral centres" + +#~ msgctxt "Unknown molecule name" +#~ msgid "unknown" +#~ msgstr "unknown" + #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Estimated Dipole Moment (D):" @@ -8275,15 +8533,104 @@ msgstr "" #~ msgid "Fetch molecule files over the network." #~ msgstr "Fetch molecule files over the network." +#~ msgid "OrcaExtension Warning" +#~ msgstr "OrcaExtension Warning" + +#~ msgid "OrcaExtension" +#~ msgstr "OrcaExtension" + +#~ msgid " No vibration data found!" +#~ msgstr " No vibration data found!" + +#~ msgid " No vibration data found or molecule changed outside Orca Plugin!" +#~ msgstr " No vibration data found or molecule changed outside Orca Plugin!" + +#~ msgid "Selected displacement data don't fit to the actual molecule!" +#~ msgstr "Selected displacement data doesn't fit to the actual molecule!" + +#~ msgid "extended Geometry File" +#~ msgstr "extended Geometry File" + +#~ msgid "Read Orca Outputfile" +#~ msgstr "Read Orca Outputfile" + +#~ msgid "no file found" +#~ msgstr "no file found" + +#~ msgid "Somethings wrong in the file structure" +#~ msgstr "Somethings wrong in the file structure" + +#~ msgid "Somethings wrong in the file structure - unitcells" +#~ msgstr "Somethings wrong in the file structure - unitcells" + +#~ msgid "Something is wrong in the IR output! " +#~ msgstr "Something is wrong in the IR output! " + +#~ msgid "Something is wrong in the raman output! " +#~ msgstr "Something is wrong in the raman output! " + +#~ msgid "Something is wrong in the orbital energy output! " +#~ msgstr "Something is wrong in the orbital energy output! " + +#~ msgid "No geometry found in file!" +#~ msgstr "No geometry found in file!" + +#~ msgid "" +#~ "Molecule of the file does not fit the actual molecule structure! \n" +#~ " Would you like to override the actual molecule?" +#~ msgstr "" +#~ "Molecule of the file does not fit the actual molecule structure! \n" +#~ " Would you like to override the actual molecule?" + +#~ msgid "Could not read file!" +#~ msgstr "Could not read file!" + +#~ msgid "Analyse Orca Output..." +#~ msgstr "Analyse Orca Output..." + +#~ msgid "&Orca" +#~ msgstr "&Orca" + +#~ msgid "Orca Test Example" +#~ msgstr "Orca Test Example" + +#~ msgid "Provides a dialog box with the words \"H...\"." +#~ msgstr "Provides a dialogue box with the words \"H...\"." + +#~ msgid "ORCA Input Deck" +#~ msgstr "ORCA Input Deck" + #~ msgid "Show Preview" #~ msgstr "Show Preview" #~ msgid "Hide Preview" #~ msgstr "Hide Preview" +#~ msgid "RijCosX option not available for the selected DFT functional!" +#~ msgstr "RijCosX option not available for the selected DFT functional!" + +#~ msgid "" +#~ "RijCosX not available for the selected DFT functional! \n" +#~ "RijCosX option reset!" +#~ msgstr "" +#~ "RijCosX not available for the selected DFT functional! \n" +#~ "RijCosX option reset!" + +#~ msgid "" +#~ "Unsaved changes are made in the actual preview text! \n" +#~ " Generating a new preview will lose all changes! \n" +#~ " Would you like to override them anyway?" +#~ msgstr "" +#~ "Unsaved changes are made in the actual preview text! \n" +#~ " Generating a new preview will lose all changes! \n" +#~ " Would you like to override them anyway?" + #~ msgid "Intensities" #~ msgstr "Intensities" +#~ msgid " OrcaSpectra::No vibration data found!" +#~ msgstr " OrcaSpectra::No vibration data found!" + #~ msgid "Save POV-Ray rendered image" #~ msgstr "Save POV-Ray rendered image" @@ -8344,6 +8691,50 @@ msgstr "" #~ msgid "Interactive python scripting terminal" #~ msgstr "Interactive python scripting terminal" +#~ msgid "Abinit Input Deck Generator Warning" +#~ msgstr "Abinit Input Deck Generator Warning" + +#~ msgid "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "Abinit input deck preview pane?" +#~ msgstr "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "Abinit input deck preview pane?" + +#~ msgid "Abinit_Input_Deck" +#~ msgstr "Abinit_Input_Deck" + +#~ msgid "Abinit Running." +#~ msgstr "Abinit Running." + +#~ msgid "" +#~ "Abinit is already running. Please wait until the previous calculation is " +#~ "finished." +#~ msgstr "" +#~ "Abinit is already running. Please wait until the previous calculation is " +#~ "finished." + +#~ msgid "Abinit Not Installed." +#~ msgstr "Abinit Not Installed." + +#~ msgid "The abinit executable cannot be found." +#~ msgstr "The abinit executable cannot be found." + +#~ msgid "" +#~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" +#~ msgstr "" +#~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" + +#~ msgid "abinit did not start. Perhaps it is not installed correctly." +#~ msgstr "abinit did not start. Perhaps it is not installed correctly." + +#~ msgid "Running Abinit calculation..." +#~ msgstr "Running Abinit calculation..." + +#~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." +#~ msgstr "" +#~ "Abinit did not run correctly. Perhaps it is not installed correctly." + #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Dalton Input File Generator Warning" @@ -8381,12 +8772,18 @@ msgstr "" #~ msgid " (" #~ msgstr " (" +#~ msgid "qm" +#~ msgstr "qm" + #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" +#~ msgid "GAMESS" +#~ msgstr "GAMESS" + #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Create input files for the GAMESS quantum chemistry package" @@ -8420,9 +8817,29 @@ msgstr "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" +#~ msgid "GAMESS-UK Input Deck Generator Warning" +#~ msgstr "GAMESS-UK Input Deck Generator Warning" + +#~ msgid "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "GAMESS-UK input deck preview pane?" +#~ msgstr "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "GAMESS-UK input deck preview pane?" + +#~ msgid "GAMESS-UK Input Deck" +#~ msgstr "GAMESS-UK Input Deck" + #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian Input Deck Generator Warning" +#~ msgid "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "Gaussian input deck preview pane?" +#~ msgstr "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "Gaussian input deck preview pane?" + #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussian Input Deck" @@ -8440,7 +8857,7 @@ msgstr "" #~ msgstr "Gaussian Not Installed." #~ msgid "The G03 executable, cannot be found." -#~ msgstr "The G03 executable, cannot be found." +#~ msgstr "The G03 executable cannot be found." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 did not start. Perhaps it is not installed correctly." @@ -8454,7 +8871,10 @@ msgstr "" #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" -#~ "Gaussian did not run correctly. Perhaps it is not installed correctly." +#~ "Gaussian did not run correctly. Perhaps it is not correctly installed." + +#~ msgid "&Abinit..." +#~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." @@ -8468,19 +8888,45 @@ msgstr "" #~ msgid "&NWChem..." #~ msgstr "&NWChem..." +#~ msgid "&PSI4..." +#~ msgstr "&PSI4..." + #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." +#~ msgid "&TeraChem..." +#~ msgstr "&TeraChem..." + +#~ msgid "Lammps Input Deck Generator Warning" +#~ msgstr "Lammps Input Deck Generator Warning" + +#~ msgid "Molpro Input Deck Generator Warning" +#~ msgstr "Molpro Input Deck Generator Warning" + +#~ msgid "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "Molpro input deck preview pane?" +#~ msgstr "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "Molpro input deck preview pane?" + +#~ msgid "Molpro Input Deck" +#~ msgstr "Molpro Input Deck" + #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC Input Warning" +#~ msgid "MOPAC Input Deck" +#~ msgstr "MOPAC Input Deck" + #~ msgid "MOPAC Running." #~ msgstr "MOPAC Running." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" -#~ "MOPAC is already running. Wait until the previous calculation is finished." +#~ "MOPAC is already running. Wait until the previous calculation has " +#~ "finished." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC Not Installed." @@ -8488,6 +8934,9 @@ msgstr "" #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "The MOPAC executable, cannot be found." +#~ msgid "MOPAC failed to start." +#~ msgstr "MOPAC failed to start." + #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC did not start. Perhaps it is not installed correctly." @@ -8510,6 +8959,22 @@ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" +#~ msgid "NWChem Input Deck" +#~ msgstr "NWChem Input Deck" + +#~ msgid "Psi4 Input Deck Generator Warning" +#~ msgstr "Psi4 Input Deck Generator Warning" + +#~ msgid "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "Psi4 input deck preview pane?" +#~ msgstr "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "Psi4 input deck preview pane?" + +#~ msgid "Psi4 Input Deck" +#~ msgstr "Psi4 Input Deck" + #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Input Deck Generator Warning" @@ -8520,6 +8985,22 @@ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" +#~ msgid "QChem Input Deck" +#~ msgstr "QChem Input Deck" + +#~ msgid "TeraChem Input Deck Generator Warning" +#~ msgstr "TeraChem Input Deck Generator Warning" + +#~ msgid "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "TeraChem input deck preview pane?" +#~ msgstr "" +#~ "Would you like to update the preview text, losing all changes made in the " +#~ "TeraChem input deck preview pane?" + +#~ msgid "TeraChem Input Deck" +#~ msgstr "TeraChem Input Deck" + #~ msgid "Select SMARTS..." #~ msgstr "Select SMARTS..." @@ -8605,7 +9086,7 @@ msgstr "" #~ msgstr "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " -#~ "visualization." +#~ "visualisation." #~ msgid "Wavenumber (cm-1)" #~ msgstr "Wavenumber (cm-1)" @@ -8646,6 +9127,10 @@ msgstr "" #~ msgid "&Density Of States Settings" #~ msgstr "&Density Of States Settings" +#~ msgctxt "Ultra-Violet spectrum" +#~ msgid "UV" +#~ msgstr "UV" + #~ msgid "&UV Settings" #~ msgstr "&UV Settings" @@ -8705,10 +9190,10 @@ msgstr "" #~ msgstr "Tab Separated Values (*.tsv)" #~ msgid "Tab Separated Values" -#~ msgstr "Tab Separated Values" +#~ msgstr "Tab-Separated Values" #~ msgid "Comma Separated Values" -#~ msgstr "Comma Separated Values" +#~ msgstr "Comma-Separated Values" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" @@ -8716,6 +9201,9 @@ msgstr "" #~ msgid "Import Spectra" #~ msgstr "Import Spectra" +#~ msgid "Spectra Import" +#~ msgstr "Spectra Import" + #~ msgid "Unknown extension: %1" #~ msgstr "Unknown extension: %1" @@ -8772,6 +9260,9 @@ msgstr "" #~ msgid "Save Spectra Image" #~ msgstr "Save Spectra Image" +#~ msgid "Image successfully written to %1" +#~ msgstr "Image successfully written to %1" + #~ msgid "&Advanced <<" #~ msgstr "&Advanced <<" @@ -8782,7 +9273,7 @@ msgstr "" #~ msgstr "&Spectra..." #~ msgid "Visualize spectral data from quantum chemistry calculations" -#~ msgstr "Visualize spectral data from quantum chemistry calculations" +#~ msgstr "Visualise spectral data from quantum chemistry calculations" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" @@ -8797,7 +9288,7 @@ msgstr "" #~ msgstr "Vibration" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" -#~ msgstr "Visualize vibrational modes from quantum chemistry calculations" +#~ msgstr "Visualise vibrational modes from quantum chemistry calculations" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sorting %1 vibrations by frequency..." @@ -8818,9 +9309,26 @@ msgstr "" #~ msgid "Build and display crystallographic super cells" #~ msgstr "Build and display crystallographic super cells" +#~ msgid "Molecular Orbitals..." +#~ msgstr "Molecular Orbitals..." + #~ msgid "Orbitals" #~ msgstr "Orbitals" +#~ msgctxt "Highest Occupied MO" +#~ msgid "HOMO" +#~ msgstr "HOMO" + +#~ msgctxt "Lowest Unoccupied MO" +#~ msgid "LUMO" +#~ msgstr "LUMO" + +#~ msgid "Orbital" +#~ msgstr "Orbital" + +#~ msgid "Status" +#~ msgstr "Status" + #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Nothing" @@ -8847,8 +9355,47 @@ msgstr "" #~ msgid "VdW" #~ msgstr "VdW" +#~ msgid "Electrostatic potential surfaces are not yet supported." +#~ msgstr "Electrostatic potential surfaces are not yet supported." + +#~ msgid "Calculate molecular orbitals and other surfaces" +#~ msgstr "Calculate molecular orbitals and other surfaces" + +#~ msgid "&Nanotube Builder..." +#~ msgstr "&Nanotube Builder..." + +#~ msgid "Nanotube Builder" +#~ msgstr "Nanotube Builder" + +#~ msgid "Invalid Nanotube Specification" +#~ msgstr "Invalid Nanotube Specification" + +#~ msgid "" +#~ "The requested nanotube cannot be built for the following reason:\n" +#~ "\n" +#~ "Either n or m must be greater than 1." +#~ msgstr "" +#~ "The requested nanotube cannot be built for the following reason:\n" +#~ "\n" +#~ "Either n or m must be greater than 1." + +#~ msgid "Insert Nanotube" +#~ msgstr "Insert Nanotube" + +#~ msgid "SWCNT Builder" +#~ msgstr "SWCNT Builder" + +#~ msgid "Construct single wall carbon nanotubes." +#~ msgstr "Construct single wall carbon nanotubes." + +#~ msgid "Building..." +#~ msgstr "Building..." + +#~ msgid "Display point group symmetry." +#~ msgstr "Display point group symmetry." + #~ msgid "GL widget was not correctly initialized in order to make a video" -#~ msgstr "GL widget was not correctly initialized in order to make a video" +#~ msgstr "GL widget was not correctly initialised in order to make a video" #~ msgid "GL widget has no molecule" #~ msgstr "GL widget has no molecule" @@ -8879,6 +9426,12 @@ msgstr "" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." +#~ msgid "Save VRML rendered files" +#~ msgstr "Save VRML rendered files" + +#~ msgid "VRML..." +#~ msgstr "VRML..." + #~ msgid "Connect" #~ msgstr "Connect" @@ -8912,6 +9465,18 @@ msgstr "" #~ msgid "View Size: %L1 x %L2" #~ msgstr "View Size: %L1 x %L2" +#~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" +#~ msgstr "ModelView row 1: %L1 %L2 %L3 %L4" + +#~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" +#~ msgstr "ModelView row 2: %L1 %L2 %L3 %L4" + +#~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" +#~ msgstr "ModelView row 3: %L1 %L2 %L3 %L4" + +#~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" +#~ msgstr "ModelView row 4: %L1 %L2 %L3 %L4" + #~ msgid "Atoms: %L1" #~ msgstr "Atoms: %L1" @@ -8979,6 +9544,9 @@ msgstr "" #~ msgid "Unknown Python Engine" #~ msgstr "Unknown Python Engine" +#~ msgid "N/A" +#~ msgstr "N/A" + #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: checking " @@ -9006,6 +9574,9 @@ msgstr "" #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - script has no 'Tool' class defined" +#~ msgid "Conformer %1" +#~ msgstr "Conformer %1" + #~ msgid "Tools" #~ msgstr "Tools" @@ -9015,6 +9586,29 @@ msgstr "" #~ msgid "Everything" #~ msgstr "Everything" +#~ msgid "" +#~ "Auto Optimization Tool\n" +#~ "\n" +#~ "Navigation Functions when clicking in empty space.\n" +#~ "Left Mouse: \tRotate Space\n" +#~ "Middle Mouse: Zoom Space\n" +#~ "Right Mouse: \tMove Space\n" +#~ "Double-Click: \t Reset View\n" +#~ "\n" +#~ "When running:\n" +#~ "Left Mouse: \tClick and drag atoms to move them." +#~ msgstr "" +#~ "Auto Optimisation Tool\n" +#~ "\n" +#~ "Navigation Functions when clicking in empty space.\n" +#~ "Left Mouse: \tRotate Space\n" +#~ "Middle Mouse: Zoom Space\n" +#~ "Right Mouse: \tMove Space\n" +#~ "Double-Click: \t Reset View\n" +#~ "\n" +#~ "When running:\n" +#~ "Left Mouse: \tClick and drag atoms to move them." + #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Could not setup force field...." @@ -9049,10 +9643,10 @@ msgstr "" #~ msgstr "AutoOpt Molecule" #~ msgid "Automatic optimization of molecular geometry" -#~ msgstr "Automatic optimization of molecular geometry" +#~ msgstr "Automatic optimisation of molecular geometry" #~ msgid "AutoOptimization Settings" -#~ msgstr "AutoOptimization Settings" +#~ msgstr "AutoOptimisation Settings" #~ msgid "Auto Rotation Tool" #~ msgstr "Auto Rotation Tool" @@ -9163,6 +9757,25 @@ msgstr "" #~ msgid "Residue" #~ msgstr "Residue" +#~ msgid "Add Center of Atoms" +#~ msgstr "Add Centre of Atoms" + +#~ msgid "Change color of the atom" +#~ msgstr "Change colour of the atom" + +#~ msgid "Change label of the atom" +#~ msgstr "Change label of the atom" + +#~ msgid "Change label of the bond" +#~ msgstr "Change label of the bond" + +#~ msgid "Change radius of the atom" +#~ msgstr "Change radius of the atom" + +#~ msgctxt "in Angstrom" +#~ msgid "New Radius, %1:" +#~ msgstr "New Radius, %1:" + #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Select atoms, residues, and molecules" @@ -9190,6 +9803,9 @@ msgstr "" #~ msgid "Color residues by:" #~ msgstr "Colour residues by:" +#~ msgid "Amino Colors" +#~ msgstr "Amino Colours" + #~ msgid "Hydrophobicity" #~ msgstr "Hydrophobicity" @@ -9211,6 +9827,9 @@ msgstr "" #~ msgid "Axis 3:" #~ msgstr "Axis 3:" +#~ msgid "Origin:" +#~ msgstr "Origin:" + #~ msgid "Norm" #~ msgstr "Norm" @@ -9247,6 +9866,9 @@ msgstr "" #~ msgid "Custom Vector" #~ msgstr "Custom Vector" +#~ msgid "Custom:" +#~ msgstr "Custom:" + #~ msgid "Width:" #~ msgstr "Width:" @@ -9274,6 +9896,9 @@ msgstr "" #~ msgid "Symbol & Atom number" #~ msgstr "Symbol & Atom number" +#~ msgid "Partial charge" +#~ msgstr "Partial charge" + #~ msgid "Residue number" #~ msgstr "Residue number" @@ -9307,8 +9932,11 @@ msgstr "" #~ msgid "Bond order" #~ msgstr "Bond order" +#~ msgid "Lines" +#~ msgstr "Lines" + #~ msgid "Radius:" -#~ msgstr "Radius:" +#~ msgstr "Radio :" #~ msgid "Include Nitrogens" #~ msgstr "Include Nitrogens" @@ -9331,6 +9959,9 @@ msgstr "" #~ msgid "Draw Box:" #~ msgstr "Draw Box:" +#~ msgid "Style:" +#~ msgstr "Style:" + #~ msgid "Mapped Colors" #~ msgstr "Mapped Colours" @@ -9359,15 +9990,24 @@ msgstr "" #~ msgid "Save as .avi..." #~ msgstr "Save as .avi..." +#~ msgid "Angstroms" +#~ msgstr "Angstroms" + #~ msgid "Bohrs" #~ msgstr "Bohrs" +#~ msgid "Fractional" +#~ msgstr "Fractional" + #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, coords only" +#~ msgid "GAMESS Input #2" +#~ msgstr "GAMESS Input #2" + #~ msgid "Priroda Input" #~ msgstr "Priroda Input" @@ -9380,6 +10020,31 @@ msgstr "" #~ msgid "Paste to the End" #~ msgstr "Paste to the End" +#~ msgid "" +#~ "\n" +#~ "\n" +#~ "

Paste or edit atomic " +#~ "coordinates here. You may paste almost any fragment of text, containing " +#~ "coordinates

" +#~ msgstr "" +#~ "\n" +#~ "\n" +#~ "

Paste or edit atomic " +#~ "coordinates here. You may paste almost any fragment of text, containing " +#~ "coordinates

" + #~ msgid "(None)" #~ msgstr "(None)" @@ -9410,6 +10075,27 @@ msgstr "" #~ msgid "Weighted rotor search" #~ msgstr "Weighted rotor search" +#~ msgid "Genetic algorithm search" +#~ msgstr "Genetic algorithm search" + +#~ msgid "Genetic Algorithm Options" +#~ msgstr "Genetic Algorithm Options" + +#~ msgid "Children" +#~ msgstr "Children" + +#~ msgid "Mutability" +#~ msgstr "Mutability" + +#~ msgid "Scoring method" +#~ msgstr "Scoring method" + +#~ msgid "RMSD" +#~ msgstr "RMSD" + +#~ msgid "Add Constraints" +#~ msgstr "Add Constraints" + #~ msgid "Ignore Atom" #~ msgstr "Ignore Atom" @@ -9437,12 +10123,105 @@ msgstr "" #~ msgid "Load" #~ msgstr "Load" +#~ msgid "Atomic &identites:" +#~ msgstr "Atomic &identites:" + +#~ msgid "Surface Slab Builder" +#~ msgstr "Surface Slab Builder" + +#~ msgid "Plane:" +#~ msgstr "Plane:" + +#~ msgid "&Miller Indices:" +#~ msgstr "&Miller Indices:" + +#~ msgid "Warning: Use non-zero Miller Indices" +#~ msgstr "Warning: Use non-zero Miller Indices" + +#~ msgid "Width (x)" +#~ msgstr "Width (x)" + +#~ msgid "Width (y)" +#~ msgstr "Width (y)" + +#~ msgid "Height (z)" +#~ msgstr "Height (z)" + +#~ msgid "length" +#~ msgstr "length" + +#~ msgid "cell repeats" +#~ msgstr "cell repeats" + +#~ msgid "&Translate " +#~ msgstr "&Translate " + +#~ msgid "by arbitrary vector" +#~ msgstr "by arbitrary vector" + +#~ msgid "selected atom to unit cell center" +#~ msgstr "selected atom to unit cell centre" + +#~ msgid "Translation vector:" +#~ msgstr "Translation vector:" + +#~ msgid "&X:" +#~ msgstr "&X:" + +#~ msgid "&Y:" +#~ msgstr "&Y:" + +#~ msgid "&Z:" +#~ msgstr "&Z:" + +#~ msgid "&Vector units:" +#~ msgstr "&Vector units:" + #~ msgid "Cartesian" #~ msgstr "Cartesian" +#~ msgid "&Translate" +#~ msgstr "&Translate" + +#~ msgid "Crystal View Options" +#~ msgstr "Crystal View Options" + +#~ msgid "Unit Cell Repeats:" +#~ msgstr "Unit Cell Repeats:" + +#~ msgid "Draw Unit Cell(s)?" +#~ msgstr "Draw Unit Cell(s)?" + +#~ msgid "One" +#~ msgstr "One" + #~ msgid "All" #~ msgstr "All" +#~ msgid "Color..." +#~ msgstr "Colour..." + +#~ msgid "View Along:" +#~ msgstr "View Along:" + +#~ msgid "Default View" +#~ msgstr "Default View" + +#~ msgid "h: " +#~ msgstr "h: " + +#~ msgid "k: " +#~ msgstr "k: " + +#~ msgid "i: " +#~ msgstr "i: " + +#~ msgid "l: " +#~ msgstr "l: " + +#~ msgid "Miller Indices" +#~ msgstr "Miller Indices" + #~ msgid "File Import..." #~ msgstr "File Import..." @@ -9464,6 +10243,9 @@ msgstr "" #~ msgid "10e-" #~ msgstr "10e-" +#~ msgid "Alanine" +#~ msgstr "Alanine" + #~ msgid "Ala" #~ msgstr "Ala" @@ -9521,9 +10303,15 @@ msgstr "" #~ msgid "Ile" #~ msgstr "Ile" +#~ msgid "Valine" +#~ msgstr "Valine" + #~ msgid "Val" #~ msgstr "Val" +#~ msgid "Tyrosine" +#~ msgstr "Tyrosine" + #~ msgid "Tyr" #~ msgstr "Tyr" @@ -9599,6 +10387,9 @@ msgstr "" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" +#~ msgid "Structure:" +#~ msgstr "Structure:" + #~ msgid "Straight Chain" #~ msgstr "Straight Chain" @@ -9614,6 +10405,9 @@ msgstr "" #~ msgid "Phi:" #~ msgstr "Phi:" +#~ msgid "Psi:" +#~ msgstr "Psi:" + #~ msgid "Chain Number:" #~ msgstr "Chain Number:" @@ -9629,9 +10423,24 @@ msgstr "" #~ msgid "Number of Residues:" #~ msgstr "Number of Residues:" +#~ msgid "Energy (kJ/mol):" +#~ msgstr "Energy (kJ/mol):" + #~ msgid "Dipole Moment (D):" #~ msgstr "Dipole Moment (D):" +#~ msgid "select Fragment" +#~ msgstr "select Fragment" + +#~ msgid "Basic" +#~ msgstr "Basic" + +#~ msgid "Comment" +#~ msgstr "Comment" + +#~ msgid "Frequency" +#~ msgstr "Frequency" + #~ msgid "RHF" #~ msgstr "RHF" @@ -9644,12 +10453,151 @@ msgstr "" #~ msgid "CCSD" #~ msgstr "CCSD" +#~ msgid "Format" +#~ msgstr "Format" + +#~ msgid "z-Matrix" +#~ msgstr "z-Matrix" + +#~ msgid "z-Matrix compact" +#~ msgstr "z-Matrix compact" + #~ msgid "Advanced" #~ msgstr "Advanced" +#~ msgid "Basis Set" +#~ msgstr "Basis Set" + +#~ msgid "SCF" +#~ msgstr "SCF" + +#~ msgid "RijCosX" +#~ msgstr "RijCosX" + +#~ msgid "Aux. Basis Set" +#~ msgstr "Aux. Basis Set" + +#~ msgid "Aux. ECP" +#~ msgstr "Aux. ECP" + +#~ msgid "Relativistic" +#~ msgstr "Relativistic" + +#~ msgid "ZORA" +#~ msgstr "ZORA" + +#~ msgid "IORA" +#~ msgstr "IORA" + +#~ msgid "DKH" +#~ msgstr "DKH" + +#~ msgid "Order" +#~ msgstr "Order" + +#~ msgid "Corr. Aux. Basis Set" +#~ msgstr "Corr. Aux. Basis Set" + +#~ msgid "Corr. ECP" +#~ msgstr "Corr. ECP" + +#~ msgid "Run type" +#~ msgstr "Run type" + +#~ msgid "MOs" +#~ msgstr "MOs" + +#~ msgid "Basis Sets" +#~ msgstr "Basis Sets" + +#~ msgid "Printlevel" +#~ msgstr "Printlevel" + +#~ msgid "Small" +#~ msgstr "Small" + +#~ msgid "Large" +#~ msgstr "Large" + +#~ msgid "Damping" +#~ msgstr "Damping" + +#~ msgid "Factor" +#~ msgstr "Factor" + +#~ msgid "" +#~ "

select only if no defaults are wanted

" +#~ msgstr "" +#~ "

select only if no defaults are wanted

" + +#~ msgid "Accuracy" +#~ msgstr "Accuracy" + +#~ msgid "Tight SCF" +#~ msgstr "Tight SCF" + +#~ msgid "Very Tight SCF" +#~ msgstr "Very Tight SCF" + +#~ msgid "Extreme SCF" +#~ msgstr "Extreme SCF" + +#~ msgid "Convergers" +#~ msgstr "Convergers" + +#~ msgid "KDIIS" +#~ msgstr "KDIIS" + +#~ msgid "Levelshift " +#~ msgstr "Levelshift " + +#~ msgid "Levelshift" +#~ msgstr "Levelshift" + +#~ msgid "2nd Order" +#~ msgstr "2nd Order" + +#~ msgid "SOSCF" +#~ msgstr "SOSCF" + +#~ msgid "NRSCF" +#~ msgstr "NRSCF" + +#~ msgid "AHSCF" +#~ msgstr "AHSCF" + +#~ msgid "max. SCF iterations" +#~ msgstr "max. SCF iterations" + +#~ msgid "SCF Type" +#~ msgstr "SCF Type" + +#~ msgid "restricted" +#~ msgstr "restricted" + +#~ msgid "unrestricted" +#~ msgstr "unrestricted" + +#~ msgid "restricted open-shell" +#~ msgstr "restricted open-shell" + +#~ msgid "SFitting" +#~ msgstr "SFitting" + +#~ msgid "GridX" +#~ msgstr "GridX" + +#~ msgid "FinalGridX" +#~ msgstr "FinalGridX" + #~ msgid "Grid" #~ msgstr "Grid" +#~ msgid "FinalGrid" +#~ msgstr "FinalGrid" + #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray Export" @@ -9666,7 +10614,7 @@ msgstr "" #~ msgstr "Antialias" #~ msgid "Set the background color to be transparent" -#~ msgstr "Set the background color to be transparent" +#~ msgstr "Set the background colour to be transparent" #~ msgid "Alpha transparency" #~ msgstr "Alpha transparency" @@ -9683,12 +10631,114 @@ msgstr "" #~ msgid "Path:" #~ msgstr "Path:" +#~ msgid "Abinit Input" +#~ msgstr "Abinit Input" + +#~ msgid "10.0" +#~ msgstr "10.0" + +#~ msgid "Cartesian (Angstrom)" +#~ msgstr "Cartesian (Angstrom)" + +#~ msgid "Reduced" +#~ msgstr "Reduced" + +#~ msgid "Plane Wave cutoff (Ha):" +#~ msgstr "Plane Wave cutoff (Ha):" + +#~ msgid "5.e-5" +#~ msgstr "5.e-5" + +#~ msgid "Tolerance on forces(Ha/bohr):" +#~ msgstr "Tolerance on forces(Ha/bohr):" + +#~ msgid "Max lattice expansion:" +#~ msgstr "Max lattice expansion:" + +#~ msgid "1.05" +#~ msgstr "1.05" + +#~ msgid "k-point shift:" +#~ msgstr "k-point shift:" + #~ msgid "0.0" #~ msgstr "0.0" +#~ msgid "Number of bands:" +#~ msgstr "Number of bands:" + +#~ msgid "# k-point shifts:" +#~ msgstr "# k-point shifts:" + +#~ msgid "Double grid PW cutoff (Ha):" +#~ msgstr "Double grid PW cutoff (Ha):" + +#~ msgid "20.0" +#~ msgstr "20.0" + +#~ msgid "Occupation scheme:" +#~ msgstr "Occupation scheme:" + +#~ msgid "SCF tolerance type:" +#~ msgstr "SCF tolerance type:" + +#~ msgid "Wave Function norm" +#~ msgstr "Wave Function norm" + +#~ msgid "Total Potential" +#~ msgstr "Total Potential" + +#~ msgid "Relative Force" +#~ msgstr "Relative Force" + +#~ msgid "1 - semiconducting" +#~ msgstr "1 - semiconducting" + +#~ msgid "3 - Fermi Dirac" +#~ msgstr "3 - Fermi Dirac" + +#~ msgid "4 - Cold Smearing (Marzari)" +#~ msgstr "4 - Cold Smearing (Marzari)" + +#~ msgid "7 - Gaussian smearing" +#~ msgstr "7 - Gaussian smearing" + +#~ msgid "Smearing width (Ha):" +#~ msgstr "Smearing width (Ha):" + +#~ msgid "0.01" +#~ msgstr "0.01" + +#~ msgid "0 - no moving ions " +#~ msgstr "0 - no moving ions " + +#~ msgid "1 - viscous damping" +#~ msgstr "1 - viscous damping" + +#~ msgid "2 - BFGS " +#~ msgstr "2 - BFGS " + +#~ msgid "3 - BFGS with energy" +#~ msgstr "3 - BFGS with energy" + +#~ msgid "# Geometrical time steps:" +#~ msgstr "# Geometrical time steps:" + +#~ msgid "1.e-10" +#~ msgstr "1.e-10" + +#~ msgid "Kinetic Energy smoothing (Ha):" +#~ msgstr "Kinetic Energy smoothing (Ha):" + +#~ msgid "0.5" +#~ msgstr "0.5" + #~ msgid "Compute..." #~ msgstr "Compute..." +#~ msgid "Dalton Input" +#~ msgstr "Dalton Input" + #~ msgid "Basics" #~ msgstr "Basics" @@ -9705,6 +10755,9 @@ msgstr "" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" +#~ msgid "Basis Set:" +#~ msgstr "Basis Set:" + #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" @@ -9727,7 +10780,7 @@ msgstr "" #~ msgstr "Pople-style" #~ msgid "Jensen's polarization consistent" -#~ msgstr "Jensen's polarization consistent" +#~ msgstr "Jensen's polarisation consistent" #~ msgid "Dunning's correlation consistent" #~ msgstr "Dunning's correlation consistent" @@ -9905,7 +10958,7 @@ msgstr "" #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Run in parallel where possible. This is only possible for SCF\n" -#~ "wave-functions and DFT calculations. Dalton only supports MPI\n" +#~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." @@ -10166,7 +11219,7 @@ msgstr "" #~ msgstr "Property:" #~ msgid "Polarizability" -#~ msgstr "Polarizability" +#~ msgstr "Polarisability" #~ msgid "Frequency Dependent" #~ msgstr "Frequency Dependent" @@ -10226,7 +11279,7 @@ msgstr "" #~ msgstr "Misc" #~ msgid "#D Heavy Atom Polarization Functions:" -#~ msgstr "#D Heavy Atom Polarization Functions:" +#~ msgstr "#D Heavy Atom Polarisation Functions:" #~ msgid "Read" #~ msgstr "Read" @@ -10264,6 +11317,9 @@ msgstr "" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" +#~ msgid "Binning/Curtiss DZ" +#~ msgstr "Binning/Curtiss DZ" + #~ msgid "Triple Zeta Valence" #~ msgstr "Triple Zeta Valence" @@ -10415,7 +11471,7 @@ msgstr "" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" -#~ msgstr "LCCD: Linearized CC" +#~ msgstr "LCCD: Linearised CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC with Doubles" @@ -10444,6 +11500,9 @@ msgstr "" #~ msgid "Debug" #~ msgstr "Debug" +#~ msgid "Molecule Charge:" +#~ msgstr "Molecule Charge:" + #~ msgid "Run Type:" #~ msgstr "Run Type:" @@ -10462,6 +11521,9 @@ msgstr "" #~ msgid "Order of Principal Axis:" #~ msgstr "Order of Principal Axis:" +#~ msgid "Coordinate Type:" +#~ msgstr "Coordinate Type:" + #~ msgid "C1" #~ msgstr "C1" @@ -10505,11 +11567,14 @@ msgstr "" #~ msgstr "O" #~ msgid "Unique cartesian Coords." -#~ msgstr "Unique Cartesian Coords." +#~ msgstr "Unique cartesian Coords." #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internals" +#~ msgid "MOPAC Z-Matrix" +#~ msgstr "MOPAC Z-Matrix" + #~ msgid "Use Symmetry During Calculation" #~ msgstr "Use Symmetry During Calculation" @@ -10568,7 +11633,7 @@ msgstr "" #~ msgstr "Memory:" #~ msgid "Diagonalization Method:" -#~ msgstr "Diagonalization Method:" +#~ msgstr "Diagonalisation Method:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Parallel Load Balance Type" @@ -10584,6 +11649,9 @@ msgstr "" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Use External Data Representation for Messages" +#~ msgid "Initial Guess:" +#~ msgstr "Initial Guess:" + #~ msgid "Hückel" #~ msgstr "Hückel" @@ -10632,6 +11700,9 @@ msgstr "" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Version)" +#~ msgid "Gaussian 9x" +#~ msgstr "Gaussian 9x" + #~ msgid "Solvate with Water" #~ msgstr "Solvate with Water" @@ -10704,6 +11775,9 @@ msgstr "" #~ msgid "Grid-Free" #~ msgstr "Grid-Free" +#~ msgid "DFT Functional:" +#~ msgstr "DFT Functional:" + #~ msgid "AO Integral Storage" #~ msgstr "AO Integral Storage" @@ -10723,13 +11797,16 @@ msgstr "" #~ msgstr "Integral Retention Cutoff:" #~ msgid "Use Localized Orbitals" -#~ msgstr "Use Localized Orbitals" +#~ msgstr "Use Localised Orbitals" #~ msgid "# of Core Electrons:" #~ msgstr "# of Core Electrons:" +#~ msgid "Transformation Method" +#~ msgstr "Transformation Method" + #~ msgid "Two Phase Bin Sort" -#~ msgstr "Two-Phase Bin Sort" +#~ msgstr "Two Phase Bin Sort" #~ msgid "Segmented Transformation" #~ msgstr "Segmented Transformation" @@ -10786,7 +11863,7 @@ msgstr "" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" -#~ msgstr "Rational Function Optimization" +#~ msgstr "Rational Function Optimisation" #~ msgid "Quadratic Approximation" #~ msgstr "Quadratic Approximation" @@ -10795,7 +11872,7 @@ msgstr "" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" -#~ msgstr "Constrained Optimization" +#~ msgstr "Constrained Optimisation" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalculate Hessian Every:" @@ -10803,12 +11880,47 @@ msgstr "" #~ msgid "Follow Mode:" #~ msgstr "Follow Mode:" +#~ msgid "GAMESS-UK Input" +#~ msgstr "GAMESS-UK Input" + +#~ msgid "GAMESS-UK input generated by Avogadro" +#~ msgstr "GAMESS-UK input generated by Avogadro" + +#~ msgid "Transition State Search" +#~ msgstr "Transition State Search" + #~ msgid "Basis:" #~ msgstr "Basis:" +#~ msgid "SVWN" +#~ msgstr "SVWN" + +#~ msgid "B97" +#~ msgstr "B97" + +#~ msgid "HCTH" +#~ msgstr "HCTH" + +#~ msgid "FT97" +#~ msgstr "FT97" + #~ msgid "Z-matrix" #~ msgstr "Z-matrix" +#~ msgid "" +#~ "In direct mode, integrals are not stored on disk, but recalculated as " +#~ "needed.\n" +#~ "On modern systems with fast processors and slow disks, direct is often " +#~ "faster." +#~ msgstr "" +#~ "In direct mode, integrals are not stored on disk, but recalculated as " +#~ "needed.\n" +#~ "On modern systems with fast processors and slow disks, direct is often " +#~ "faster." + +#~ msgid "Run in direct mode:" +#~ msgstr "Run in direct mode:" + #~ msgid "Gaussian Input" #~ msgstr "Gaussian Input" @@ -10845,6 +11957,18 @@ msgstr "" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" +#~ msgid "Molpro Version:" +#~ msgstr "Molpro Version:" + +#~ msgid "< 2009.1" +#~ msgstr "< 2009.1" + +#~ msgid "2009.1" +#~ msgstr "2009.1" + +#~ msgid "MOPAC Input" +#~ msgstr "MOPAC Input" + #~ msgid "Quartet" #~ msgstr "Quartet" @@ -10863,6 +11987,24 @@ msgstr "" #~ msgid "NWChem Input" #~ msgstr "NWChem Input" +#~ msgid "SAPT0" +#~ msgstr "SAPT0" + +#~ msgid "SAPT2" +#~ msgstr "SAPT2" + +#~ msgid "B3LYP-D" +#~ msgstr "B3LYP-D" + +#~ msgid "B97-D" +#~ msgstr "B97-D" + +#~ msgid "M05-2X" +#~ msgstr "M05-2X" + +#~ msgid "jun-cc-pVDZ" +#~ msgstr "jun-cc-pVDZ" + #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem Input" @@ -10875,6 +12017,36 @@ msgstr "" #~ msgid "LACVP" #~ msgstr "LACVP" +#~ msgid "TeraChem Input" +#~ msgstr "TeraChem Input" + +#~ msgid "B3LYP1" +#~ msgstr "B3LYP1" + +#~ msgid "REVPBE" +#~ msgstr "REVPBE" + +#~ msgid "Unrestricted" +#~ msgstr "Unrestricted" + +#~ msgid "PBD" +#~ msgstr "PBD" + +#~ msgid "no" +#~ msgstr "no" + +#~ msgid "yes" +#~ msgstr "yes" + +#~ msgid "D2" +#~ msgstr "D2" + +#~ msgid "D3" +#~ msgstr "D3" + +#~ msgid "Dispersion:" +#~ msgstr "Dispersion:" + #~ msgid "Load Shaders" #~ msgstr "Load Shaders" @@ -10913,7 +12085,7 @@ msgstr "" #~ msgstr "&Close" #~ msgid "Set Color..." -#~ msgstr "Set Color..." +#~ msgstr "Set Colour..." #~ msgid "Imported Spectra:" #~ msgstr "Imported Spectra:" @@ -10936,6 +12108,9 @@ msgstr "" #~ msgid "Background:" #~ msgstr "Background:" +#~ msgid "Foreground:" +#~ msgstr "Foreground:" + #~ msgid "New..." #~ msgstr "New..." @@ -10966,6 +12141,9 @@ msgstr "" #~ msgid "in" #~ msgstr "in" +#~ msgid "px" +#~ msgstr "px" + #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" @@ -11036,6 +12214,9 @@ msgstr "" #~ msgid "Relative" #~ msgstr "Relative" +#~ msgid "Scale &Factor:" +#~ msgstr "Scale &Factor:" + #~ msgid "Laser Wavenumber:" #~ msgstr "Laser Wavenumber:" @@ -11048,6 +12229,9 @@ msgstr "" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" +#~ msgid "Nucleus:" +#~ msgstr "Nucleus:" + #~ msgid "Gaussian &Width:" #~ msgstr "Gaussian &Width:" @@ -11063,6 +12247,9 @@ msgstr "" #~ msgid "Molecular Vibrations" #~ msgstr "Molecular Vibrations" +#~ msgid "Filter: " +#~ msgstr "Filter: " + #~ msgid "km/mol" #~ msgstr "km/mol" @@ -11088,7 +12275,25 @@ msgstr "" #~ msgstr "Display force &vectors" #~ msgid "&Normalize displacements" -#~ msgstr "&Normalize displacements" +#~ msgstr "&Normalise displacements" + +#~ msgid "&Recalculate All" +#~ msgstr "&Recalculate All" + +#~ msgid "Default &Quality:" +#~ msgstr "Default &Quality:" + +#~ msgid "Show occupied orbitals first" +#~ msgstr "Show occupied orbitals first" + +#~ msgid "Limit orbital precalculations to " +#~ msgstr "Limit orbital precalculations to " + +#~ msgid "orbitals around HOMO/LUMO" +#~ msgstr "orbitals around HOMO/LUMO" + +#~ msgid "Quality: " +#~ msgstr "Quality: " #~ msgid "Surface Type:" #~ msgstr "Surface Type:" @@ -11109,6 +12314,9 @@ msgstr "" #~ msgid "Very High" #~ msgstr "Very High" +#~ msgid "Isosurface cutoff value" +#~ msgstr "Isosurface cutoff value" + #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" @@ -11121,6 +12329,63 @@ msgstr "" #~ msgid "Advanced..." #~ msgstr "Advanced..." +#~ msgid "&n:" +#~ msgstr "&n:" + +#~ msgid "&m:" +#~ msgstr "&m:" + +#~ msgid "&Length:" +#~ msgstr "&Length:" + +#~ msgid "Uni&t:" +#~ msgstr "Uni&t:" + +#~ msgid "periodic units" +#~ msgstr "periodic units" + +#~ msgid "angstrom" +#~ msgstr "angstrom" + +#~ msgid "bohr radii" +#~ msgstr "bohr radii" + +#~ msgid "nanometers" +#~ msgstr "nanometres" + +#~ msgid "&Cap with hydrogen" +#~ msgstr "&Cap with hydrogen" + +#~ msgid "" +#~ "This may take a while. If only the atomic coordinates\n" +#~ "are needed (say, for a quantum mechanical calculation),\n" +#~ "a single-bond-only representation should suffice." +#~ msgstr "" +#~ "This may take a while. If only the atomic coordinates\n" +#~ "are needed (say, for a quantum mechanical calculation),\n" +#~ "a single-bond-only representation should suffice." + +#~ msgid "Find &double bonds" +#~ msgstr "Find &double bonds" + +#~ msgid "Molecular Symmetry" +#~ msgstr "Molecular Symmetry" + +#~ msgid "VRML Export" +#~ msgstr "VRML Export" + +#~ msgid "Scale (mm/Å):" +#~ msgstr "Scale (mm/Å):" + +#~ msgid "Smallest sphere (mm): " +#~ msgstr "Smallest sphere (mm): " + +#~ msgid "Thinnest cylinder (mm): " +#~ msgstr "Thinnest cylinder (mm): " + +#~ msgid "Calculate Size..." +#~ msgstr "Calculate Size..." + #~ msgid "Display visual cues" #~ msgstr "Display visual cues" From 9f53d4cfac47459f7ac59baba5fdf5cd75536b3f Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 14 Nov 2023 15:38:43 -0500 Subject: [PATCH 141/186] Fix GFN-FF energy - redirect GFN-FF output through a hack Signed-off-by: Geoff Hutchison --- .../qtplugins/forcefield/scripts/gfnff.py | 62 ++++++++++++++++--- 1 file changed, 55 insertions(+), 7 deletions(-) diff --git a/avogadro/qtplugins/forcefield/scripts/gfnff.py b/avogadro/qtplugins/forcefield/scripts/gfnff.py index e8f5b1ae73..ddb0d44596 100644 --- a/avogadro/qtplugins/forcefield/scripts/gfnff.py +++ b/avogadro/qtplugins/forcefield/scripts/gfnff.py @@ -4,16 +4,59 @@ import argparse import json import sys +import os try: import numpy as np from xtb.libxtb import VERBOSITY_MUTED - from xtb.interface import Calculator, Param + from xtb.interface import Calculator, Param, Environment imported = True except ImportError: imported = False +# we need to redirect stdout +# this is from https://eli.thegreenplace.net/2015/redirecting-all-kinds-of-stdout-in-python/ +from contextlib import contextmanager +import ctypes +import io +import tempfile + +libc = ctypes.CDLL(None) + +@contextmanager +def stdout_redirector(stream): + # The original fd stdout points to. Usually 1 on POSIX systems. + original_stdout_fd = sys.stdout.fileno() + + def _redirect_stdout(to_fd): + """Redirect stdout to the given file descriptor.""" + # Flush the C-level buffer stdout + #libc.fflush(c_stdout) + # Flush and close sys.stdout - also closes the file descriptor (fd) + sys.stdout.close() + # Make original_stdout_fd point to the same file as to_fd + os.dup2(to_fd, original_stdout_fd) + # Create a new sys.stdout that points to the redirected fd + sys.stdout = io.TextIOWrapper(os.fdopen(original_stdout_fd, 'wb')) + + # Save a copy of the original stdout fd in saved_stdout_fd + saved_stdout_fd = os.dup(original_stdout_fd) + try: + # Create a temporary file and redirect stdout to it + tfile = tempfile.TemporaryFile(mode='w+b') + _redirect_stdout(tfile.fileno()) + # Yield to caller, then redirect stdout back to the saved fd + yield + _redirect_stdout(saved_stdout_fd) + # Copy contents of temporary file to the given stream + tfile.flush() + tfile.seek(0, io.SEEK_SET) + stream.write(tfile.read()) + finally: + tfile.close() + os.close(saved_stdout_fd) + def getMetaData(): # before we return metadata, make sure xtb is in the path @@ -57,16 +100,21 @@ def run(filename): if "totalSpinMultiplicity" in mol_cjson["properties"]: spin = mol_cjson["properties"]["totalSpinMultiplicity"] - calc = Calculator(Param.GFNFF, atoms, coordinates, + # xtb doesn't properly mute + # so we redirect stdout to a StringIO + # and then just ignore it + f = io.BytesIO() + with stdout_redirector(f): + calc = Calculator(Param.GFNFF, atoms, coordinates, charge=charge, uhf=spin) - calc.set_verbosity(VERBOSITY_MUTED) - res = calc.singlepoint() + calc.set_verbosity(VERBOSITY_MUTED) + res = calc.singlepoint() # we loop forever - Avogadro will kill our process when done while True: # read new coordinates from stdin for i in range(len(atoms)): - coordinates[i] = np.fromstring(input()) + coordinates[i] = np.fromstring(input(), sep=' ') # .. convert from Angstrom to Bohr coordinates /= 0.52917721067 @@ -74,8 +122,8 @@ def run(filename): calc.update(coordinates) calc.singlepoint(res) - # first print the energy of these coordinates print("AvogadroEnergy:", res.get_energy()) # in Hartree + # times 2625.5 kJ/mol # now print the gradient # .. we don't want the "[]" in the output @@ -87,7 +135,7 @@ def run(filename): if __name__ == "__main__": - parser = argparse.ArgumentParser("GFN2 calculator") + parser = argparse.ArgumentParser("GFN-FF calculator") parser.add_argument("--display-name", action="store_true") parser.add_argument("--metadata", action="store_true") parser.add_argument("-f", "--file", nargs=1) From 8652889b9799f3c1f398ece1627b88e5339c0f82 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sat, 18 Nov 2023 22:52:21 -0500 Subject: [PATCH 142/186] Fix insert fragment to use dialog moved into QtGui Signed-off-by: Geoff Hutchison --- avogadro/qtgui/insertfragmentdialog.cpp | 4 ++-- avogadro/qtgui/insertfragmentdialog.h | 12 +++++++----- avogadro/qtgui/insertfragmentdialog.ui | 4 ++-- avogadro/qtgui/sortfiltertreeproxymodel.cpp | 2 +- avogadro/qtgui/sortfiltertreeproxymodel.h | 12 +++++++----- avogadro/qtplugins/insertfragment/insertfragment.cpp | 3 ++- avogadro/qtplugins/insertfragment/insertfragment.h | 6 +++--- 7 files changed, 24 insertions(+), 19 deletions(-) diff --git a/avogadro/qtgui/insertfragmentdialog.cpp b/avogadro/qtgui/insertfragmentdialog.cpp index 177937a85a..c52dbb5e23 100644 --- a/avogadro/qtgui/insertfragmentdialog.cpp +++ b/avogadro/qtgui/insertfragmentdialog.cpp @@ -33,7 +33,7 @@ #include -namespace Avogadro::QtPlugins { +namespace Avogadro::QtGui { class InsertFragmentDialog::Private { @@ -233,4 +233,4 @@ void InsertFragmentDialog::activated() emit performInsert(currentFileName, m_implementation->crystalFiles); } -} // namespace Avogadro::QtPlugins +} // namespace Avogadro::QtGui diff --git a/avogadro/qtgui/insertfragmentdialog.h b/avogadro/qtgui/insertfragmentdialog.h index a9c45bf633..b751a0697a 100644 --- a/avogadro/qtgui/insertfragmentdialog.h +++ b/avogadro/qtgui/insertfragmentdialog.h @@ -3,13 +3,15 @@ This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ -#ifndef AVOGADRO_QTPLUGINS_INSERTFRAGMENTDIALOG_H -#define AVOGADRO_QTPLUGINS_INSERTFRAGMENTDIALOG_H +#ifndef AVOGADRO_QTGUI_INSERTFRAGMENTDIALOG_H +#define AVOGADRO_QTGUI_INSERTFRAGMENTDIALOG_H + +#include "avogadroqtguiexport.h" #include namespace Avogadro { -namespace QtPlugins { +namespace QtGui { namespace Ui { class InsertFragmentDialog; @@ -18,7 +20,7 @@ class InsertFragmentDialog; /** * @brief Dialog to prompt a format and descriptor string. */ -class InsertFragmentDialog : public QDialog +class AVOGADROQTGUI_EXPORT InsertFragmentDialog : public QDialog { Q_OBJECT @@ -52,4 +54,4 @@ public Q_SLOTS: } // namespace QtPlugins } // namespace Avogadro -#endif // AVOGADRO_QTPLUGINS_InsertFragmentDIALOG_H +#endif // AVOGADRO_QTGUI_InsertFragmentDIALOG_H diff --git a/avogadro/qtgui/insertfragmentdialog.ui b/avogadro/qtgui/insertfragmentdialog.ui index cc3313318a..8455caebfa 100644 --- a/avogadro/qtgui/insertfragmentdialog.ui +++ b/avogadro/qtgui/insertfragmentdialog.ui @@ -1,7 +1,7 @@ - Avogadro::QtPlugins::InsertFragmentDialog - + Avogadro::QtGui::InsertFragmentDialog + 0 diff --git a/avogadro/qtgui/sortfiltertreeproxymodel.cpp b/avogadro/qtgui/sortfiltertreeproxymodel.cpp index 89456ad5ad..994bc6f0da 100644 --- a/avogadro/qtgui/sortfiltertreeproxymodel.cpp +++ b/avogadro/qtgui/sortfiltertreeproxymodel.cpp @@ -5,7 +5,7 @@ #include "sortfiltertreeproxymodel.h" -namespace Avogadro { +namespace Avogadro::QtGui { // Custom class for Avogadro to handle filtering files // Directories are at most 2 levels deep until we get to files diff --git a/avogadro/qtgui/sortfiltertreeproxymodel.h b/avogadro/qtgui/sortfiltertreeproxymodel.h index e99fd09a23..e372749bdf 100644 --- a/avogadro/qtgui/sortfiltertreeproxymodel.h +++ b/avogadro/qtgui/sortfiltertreeproxymodel.h @@ -3,14 +3,16 @@ This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ -#ifndef SORTFILTERTREEPROXYMODEL_H -#define SORTFILTERTREEPROXYMODEL_H +#ifndef AVOGADRO_QTGUI_SORTFILTERTREEPROXYMODEL_H +#define AVOGADRO_QTGUI_SORTFILTERTREEPROXYMODEL_H + +#include "avogadroqtguiexport.h" #include -namespace Avogadro { +namespace Avogadro::QtGui { - class SortFilterTreeProxyModel: public QSortFilterProxyModel + class AVOGADROQTGUI_EXPORT SortFilterTreeProxyModel: public QSortFilterProxyModel { Q_OBJECT public: @@ -29,6 +31,6 @@ namespace Avogadro { QModelIndex m_sourceRoot; }; -} +} // End Avogadro QtGui namespace #endif diff --git a/avogadro/qtplugins/insertfragment/insertfragment.cpp b/avogadro/qtplugins/insertfragment/insertfragment.cpp index 123c9e3c8a..f2a4cba340 100644 --- a/avogadro/qtplugins/insertfragment/insertfragment.cpp +++ b/avogadro/qtplugins/insertfragment/insertfragment.cpp @@ -4,8 +4,8 @@ ******************************************************************************/ #include "insertfragment.h" -#include +#include #include #include #include @@ -21,6 +21,7 @@ using Avogadro::Io::FileFormatManager; using Avogadro::QtGui::Molecule; +using Avogadro::QtGui::InsertFragmentDialog; namespace Avogadro::QtPlugins { diff --git a/avogadro/qtplugins/insertfragment/insertfragment.h b/avogadro/qtplugins/insertfragment/insertfragment.h index 39f2b2fdad..cfbe9ad33f 100644 --- a/avogadro/qtplugins/insertfragment/insertfragment.h +++ b/avogadro/qtplugins/insertfragment/insertfragment.h @@ -16,7 +16,7 @@ namespace Avogadro { namespace Io { class FileFormat; } -namespace QtPlugins { +namespace QtGui { class InsertFragmentDialog; } @@ -46,8 +46,8 @@ private slots: private: QList m_actions; - InsertFragmentDialog* m_moleculeDialog; - InsertFragmentDialog* m_crystalDialog; + QtGui::InsertFragmentDialog* m_moleculeDialog; + QtGui::InsertFragmentDialog* m_crystalDialog; /// Maps identifier to extension: QMap m_formats; From 06679fc4de601a0df23e80e3059d5e73ca37bfea Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sat, 18 Nov 2023 22:53:04 -0500 Subject: [PATCH 143/186] Add support for settings in template tool (remember previous options) Signed-off-by: Geoff Hutchison --- .../templatetool/templatetoolwidget.cpp | 109 ++++++++++++------ .../templatetool/templatetoolwidget.h | 3 + 2 files changed, 79 insertions(+), 33 deletions(-) diff --git a/avogadro/qtplugins/templatetool/templatetoolwidget.cpp b/avogadro/qtplugins/templatetool/templatetoolwidget.cpp index a9b310fc8f..fc4d6a1c3b 100644 --- a/avogadro/qtplugins/templatetool/templatetoolwidget.cpp +++ b/avogadro/qtplugins/templatetool/templatetoolwidget.cpp @@ -8,6 +8,7 @@ #include +#include #include #include @@ -39,29 +40,18 @@ enum LigandType }; TemplateToolWidget::TemplateToolWidget(QWidget* parent_) - : QWidget(parent_), m_ui(new Ui::TemplateToolWidget), m_elementSelector(NULL), - m_currentElement(26) + : QWidget(parent_), m_ui(new Ui::TemplateToolWidget), + m_elementSelector(nullptr), m_fragmentDialog(nullptr), m_currentElement(26) { m_ui->setupUi(this); buildElements(); - connect(m_ui->elementComboBox, SIGNAL(currentIndexChanged(int)), this, - SLOT(elementChanged(int))); - - connect(m_ui->coordinationComboBox, SIGNAL(currentIndexChanged(int)), this, - SLOT(coordinationChanged(int))); - - connect(m_ui->typeComboBox, SIGNAL(currentIndexChanged(int)), this, - SLOT(typeChanged(int))); - - connect(m_ui->ligandComboBox, SIGNAL(currentIndexChanged(int)), this, - SLOT(ligandChanged(int))); - - // Show iron at startup. - selectElement(26); - // default coordination = octahedral - m_ui->centerPreview->setIcon(QIcon(":/icons/centers/6-oct.png")); + // Get default options + QSettings settings; + settings.beginGroup("templatetool"); + unsigned int currentElement = settings.value("element", 26).toUInt(); + selectElement(currentElement); // In the same order of the coordinationComboBox // append ".png" for the icon and ".cjson" for the template @@ -77,7 +67,33 @@ TemplateToolWidget::TemplateToolWidget(QWidget* parent_) << "7-pbp" << "8-sqa"; - typeChanged(LigandType::Monodentate); + connect(m_ui->elementComboBox, SIGNAL(currentIndexChanged(int)), this, + SLOT(elementChanged(int))); + + connect(m_ui->coordinationComboBox, SIGNAL(currentIndexChanged(int)), this, + SLOT(coordinationChanged(int))); + + connect(m_ui->typeComboBox, SIGNAL(currentIndexChanged(int)), this, + SLOT(typeChanged(int))); + + connect(m_ui->ligandComboBox, SIGNAL(currentIndexChanged(int)), this, + SLOT(ligandChanged(int))); + + // default coordination = octahedral + QString currentCoord = settings.value("coordination", "6-oct").toString(); + int index = m_centers.indexOf(currentCoord); + if (index < 0) + index = 7; // octahedral + m_ui->coordinationComboBox->setCurrentIndex(index); + + // update the preview icon + QString iconPath = QString(":/icons/centers/%1.png").arg(currentCoord); + m_ui->centerPreview->setIcon(QIcon(iconPath)); + + unsigned int ligandType = settings.value("ligandType", 0).toUInt(); + m_ui->typeComboBox->setCurrentIndex(ligandType); + // update the ligand combo box + typeChanged(ligandType); } TemplateToolWidget::~TemplateToolWidget() @@ -150,6 +166,9 @@ void TemplateToolWidget::coordinationChanged(int index) // get the icon name QString iconName = m_centers[index]; + QSettings settings; + settings.setValue("templatetool/coordination", iconName); + m_ui->centerPreview->setIcon(QIcon(":/icons/centers/" + iconName + ".png")); } @@ -160,11 +179,26 @@ void TemplateToolWidget::ligandChanged(int index) // get the icon name QString iconName = m_ligands[index]; + + // check if it's "other" + if (iconName.endsWith("-other")) { + if (!m_fragmentDialog) { + m_fragmentDialog = new QtGui::InsertFragmentDialog(this); + connect(m_fragmentDialog, SIGNAL(accepted()), this, SLOT(accepted())); + } + m_fragmentDialog->show(); + return; + } + m_ui->ligandPreview->setIcon(QIcon(":/icons/ligands/" + iconName + ".png")); } void TemplateToolWidget::typeChanged(int index) { + QSettings settings; + settings.beginGroup("templatetool"); + settings.setValue("ligandType", index); + m_selectedUIDs.clear(); m_ui->ligandComboBox->clear(); m_ligands = QStringList(); @@ -176,50 +210,56 @@ void TemplateToolWidget::typeChanged(int index) << "carbonyl" << "cyano" << "phosphine" - << "thiol"; + << "thiol" << tr("Other…"); m_ligands << "1-ammine" << "1-aqua" << "1-carbonyl" << "1-cyano" << "1-phosphine" - << "1-thiol"; + << "1-thiol" + << "1-other"; m_denticity = 1; break; case LigandType::Bidentate: // Bidentate ligandNames << "acetylacetonate" << "bipyridine" - << "ethylenediamine"; + << "ethylenediamine" << tr("Other…"); m_ligands << "2-acetylacetonate" << "2-bipyridine" - << "2-ethylenediamine"; + << "2-ethylenediamine" + << "2-other"; m_denticity = 2; break; case LigandType::Tridentate: // Tridentate - ligandNames << "terpyridine"; - m_ligands << "3-terpyridine"; + ligandNames << "terpyridine" << tr("Other…"); + m_ligands << "3-terpyridine" + << "3-other"; m_denticity = 3; break; case LigandType::Tetradentate: // Tetradentate ligandNames << "phthalocyanine" << "porphin" - << "salen"; + << "salen" << tr("Other…"); m_ligands << "4-phthalocyanine" << "4-porphin" - << "4-salen"; + << "4-salen" + << "4-other"; m_denticity = 4; break; case LigandType::Hexadentate: // Hexadentate - ligandNames << "edta"; - m_ligands << "6-edta"; + ligandNames << "edta" << tr("Other…"); + m_ligands << "6-edta" + << "6-other"; m_denticity = 6; break; case LigandType::Haptic: // Haptic ligandNames << "η2-ethylene" << "η5-cyclopentyl" - << "η6-benzene"; + << "η6-benzene" << tr("Other…"); m_ligands << "eta2-ethylene" << "eta5-cyclopentyl" - << "eta6-benzene"; + << "eta6-benzene" + << "eta-other"; m_denticity = 1; break; case LigandType::FunctionalGroup: // Functional Groups @@ -228,7 +268,7 @@ void TemplateToolWidget::typeChanged(int index) << "ester" << "nitro" << "phenyl" - << "sulfonate"; + << "sulfonate" << tr("Other…"); m_ligands = ligandNames; m_denticity = 1; break; @@ -261,6 +301,9 @@ void TemplateToolWidget::elementChanged(int index) m_currentElement = static_cast(itemData.toInt()); } } + + QSettings settings; + settings.setValue("templatetool/element", m_currentElement); } void TemplateToolWidget::updateElementCombo() @@ -285,7 +328,7 @@ void TemplateToolWidget::updateElementCombo() atomicNum); } m_ui->elementComboBox->insertSeparator(m_ui->elementComboBox->count()); - m_ui->elementComboBox->addItem(tr("Other..."), ELEMENT_SELECTOR_TAG); + m_ui->elementComboBox->addItem(tr("Other…"), ELEMENT_SELECTOR_TAG); // Reset the element if it still exists selectElement(static_cast( diff --git a/avogadro/qtplugins/templatetool/templatetoolwidget.h b/avogadro/qtplugins/templatetool/templatetoolwidget.h index 274c27d05e..8fe7451d55 100644 --- a/avogadro/qtplugins/templatetool/templatetoolwidget.h +++ b/avogadro/qtplugins/templatetool/templatetoolwidget.h @@ -11,6 +11,7 @@ namespace Avogadro { namespace QtGui { class PeriodicTableView; +class InsertFragmentDialog; } namespace QtPlugins { @@ -60,12 +61,14 @@ private slots: void saveElements(); Ui::TemplateToolWidget *m_ui; + QtGui::InsertFragmentDialog *m_fragmentDialog; QtGui::PeriodicTableView *m_elementSelector; QList m_defaultElements; QList m_userElements; unsigned char m_currentElement; QStringList m_centers; QStringList m_ligands; + QString m_ligandPath; int m_denticity; std::vector m_selectedUIDs; From c1ea51ed7310258e10d55db2e5aca4bb3f87ba99 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sat, 18 Nov 2023 23:45:40 -0500 Subject: [PATCH 144/186] Add support for inserting fragments from library Signed-off-by: Geoff Hutchison --- .../qtplugins/templatetool/templatetool.cpp | 11 ++- .../templatetool/templatetoolwidget.cpp | 67 +++++++++++++++++-- .../templatetool/templatetoolwidget.h | 2 + 3 files changed, 74 insertions(+), 6 deletions(-) diff --git a/avogadro/qtplugins/templatetool/templatetool.cpp b/avogadro/qtplugins/templatetool/templatetool.cpp index c40bbd79d8..863026428d 100644 --- a/avogadro/qtplugins/templatetool/templatetool.cpp +++ b/avogadro/qtplugins/templatetool/templatetool.cpp @@ -408,8 +408,15 @@ void TemplateTool::atomLeftClick(QMouseEvent*) return; } else { - QFile templ(":/templates/ligands/" + m_toolWidget->ligandString() + - ".cjson"); + QString path; + if (m_toolWidget->ligandString().endsWith(".cjson")) { + // we already have the full path .. from the insert browser + path = m_toolWidget->ligandString(); + } else { + path = ":/templates/ligands/" + m_toolWidget->ligandString() + ".cjson"; + } + + QFile templ(path); if (!templ.open(QFile::ReadOnly | QFile::Text)) return; QTextStream templateStream(&templ); diff --git a/avogadro/qtplugins/templatetool/templatetoolwidget.cpp b/avogadro/qtplugins/templatetool/templatetoolwidget.cpp index fc4d6a1c3b..2eeee329e6 100644 --- a/avogadro/qtplugins/templatetool/templatetoolwidget.cpp +++ b/avogadro/qtplugins/templatetool/templatetoolwidget.cpp @@ -156,6 +156,10 @@ QString TemplateToolWidget::ligandString() const // tell us if we are using the clipboard if (m_ui->typeComboBox->currentIndex() == LigandType::Clipboard) return "Clipboard"; + // check if it's "other" + if (m_ligands.at(m_ui->ligandComboBox->currentIndex()).endsWith("other")) + return m_ligandPath; + return m_ligands.at(m_ui->ligandComboBox->currentIndex()); } @@ -181,11 +185,43 @@ void TemplateToolWidget::ligandChanged(int index) QString iconName = m_ligands[index]; // check if it's "other" - if (iconName.endsWith("-other")) { - if (!m_fragmentDialog) { - m_fragmentDialog = new QtGui::InsertFragmentDialog(this); - connect(m_fragmentDialog, SIGNAL(accepted()), this, SLOT(accepted())); + if (iconName.endsWith("other")) { + + // figure out the ligand type and the resulting path + // to the fragment files + int ligandType = m_ui->typeComboBox->currentIndex(); + QString path = "fragments"; + + switch (ligandType) { + case LigandType::Monodentate: + path += "/ligands/monodentate"; + break; + case LigandType::Bidentate: + path += "/ligands/bidentate"; + break; + case LigandType::Tridentate: + path += "/ligands/tridentate"; + break; + case LigandType::Tetradentate: + path += "/ligands/tetradentate"; + break; + case LigandType::Hexadentate: + path += "/ligands/hexadentate"; + break; + case LigandType::Haptic: + path += "/ligands/haptic"; + break; + case LigandType::FunctionalGroup: + path += "/groups"; + break; } + + if (m_fragmentDialog != nullptr) + m_fragmentDialog->deleteLater(); + + m_fragmentDialog = new QtGui::InsertFragmentDialog(this, path); + connect(m_fragmentDialog, SIGNAL(performInsert(const QString&, bool)), this, + SLOT(otherLigandInsert(const QString&, bool))); m_fragmentDialog->show(); return; } @@ -193,6 +229,27 @@ void TemplateToolWidget::ligandChanged(int index) m_ui->ligandPreview->setIcon(QIcon(":/icons/ligands/" + iconName + ".png")); } +void TemplateToolWidget::otherLigandInsert(const QString& fileName, bool crystal) +{ + if (m_fragmentDialog == nullptr) + return; + + // get the ligand name + QString ligandName = m_fragmentDialog->fileName(); + m_ligandPath = ligandName; + + m_fragmentDialog->hide(); + // it will be deleted later + + // update the icon from the filename (so check for .png) + QString iconName = fileName; + if (iconName.endsWith(".cjson")) + iconName.chop(6); + iconName += ".png"; + m_ui->ligandPreview->setIcon(QIcon(iconName)); +} + + void TemplateToolWidget::typeChanged(int index) { QSettings settings; @@ -270,6 +327,8 @@ void TemplateToolWidget::typeChanged(int index) << "phenyl" << "sulfonate" << tr("Other…"); m_ligands = ligandNames; + // make sure last one is "other" + m_ligands.last() = "1-other"; m_denticity = 1; break; case LigandType::Clipboard: // Clipboard diff --git a/avogadro/qtplugins/templatetool/templatetoolwidget.h b/avogadro/qtplugins/templatetool/templatetoolwidget.h index 8fe7451d55..5f209c96a0 100644 --- a/avogadro/qtplugins/templatetool/templatetoolwidget.h +++ b/avogadro/qtplugins/templatetool/templatetoolwidget.h @@ -55,6 +55,8 @@ private slots: void typeChanged(int index); void ligandChanged(int index); + void otherLigandInsert(const QString& fileName, bool crystal); + private: void buildElements(); void buildBondOrders(); From a35d7f72f11b2b291d5c35665e1bfe7d67a93d06 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sun, 19 Nov 2023 00:02:30 -0500 Subject: [PATCH 145/186] Fix formatting Signed-off-by: Geoff Hutchison --- avogadro/qtgui/insertfragmentdialog.cpp | 5 +- avogadro/qtgui/insertfragmentdialog.h | 2 +- avogadro/qtgui/sortfiltertreeproxymodel.cpp | 106 +++++++++--------- avogadro/qtgui/sortfiltertreeproxymodel.h | 43 +++---- .../insertfragment/insertfragment.cpp | 6 +- .../qtplugins/insertfragment/insertfragment.h | 6 +- .../templatetool/templatetoolwidget.cpp | 4 +- .../templatetool/templatetoolwidget.h | 20 ++-- 8 files changed, 100 insertions(+), 92 deletions(-) diff --git a/avogadro/qtgui/insertfragmentdialog.cpp b/avogadro/qtgui/insertfragmentdialog.cpp index c52dbb5e23..b1b514c3b0 100644 --- a/avogadro/qtgui/insertfragmentdialog.cpp +++ b/avogadro/qtgui/insertfragmentdialog.cpp @@ -14,9 +14,9 @@ ******************************************************************************/ -#include "ui_insertfragmentdialog.h" #include "insertfragmentdialog.h" #include "sortfiltertreeproxymodel.h" +#include "ui_insertfragmentdialog.h" #include @@ -117,7 +117,8 @@ InsertFragmentDialog::InsertFragmentDialog(QWidget* aParent, QString directory, if (m_implementation->crystalFiles) filters << "*.cif"; else - filters << "*.cjson" << "*.cml"; + filters << "*.cjson" + << "*.cml"; m_implementation->model->setNameFilters(filters); m_implementation->proxy = new SortFilterTreeProxyModel(this); diff --git a/avogadro/qtgui/insertfragmentdialog.h b/avogadro/qtgui/insertfragmentdialog.h index b751a0697a..9655fd3053 100644 --- a/avogadro/qtgui/insertfragmentdialog.h +++ b/avogadro/qtgui/insertfragmentdialog.h @@ -52,6 +52,6 @@ public Q_SLOTS: Private* m_implementation; }; -} // namespace QtPlugins +} // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_InsertFragmentDIALOG_H diff --git a/avogadro/qtgui/sortfiltertreeproxymodel.cpp b/avogadro/qtgui/sortfiltertreeproxymodel.cpp index 994bc6f0da..7eb1a07572 100644 --- a/avogadro/qtgui/sortfiltertreeproxymodel.cpp +++ b/avogadro/qtgui/sortfiltertreeproxymodel.cpp @@ -7,64 +7,66 @@ namespace Avogadro::QtGui { - // Custom class for Avogadro to handle filtering files - // Directories are at most 2 levels deep until we get to files - bool SortFilterTreeProxyModel::filterAcceptsRow(int sourceRow, const QModelIndex& sourceParent) const - { - // First we see if we're the source root node - QModelIndex sourceIndex = sourceModel()->index(sourceRow, 0, sourceParent); - if (!sourceIndex.isValid() || !sourceParent.isValid()) - return true; // viewer will handle filtering - // Make sure the root is always accepted, or we become rootless - // See http://stackoverflow.com/questions/3212392/qtreeview-qfilesystemmodel-setrootpath-and-qsortfilterproxymodel-with-regexp-fo - if (m_sourceRoot.isValid() && sourceIndex == m_sourceRoot) { - return true; // true root, always accept - } +// Custom class for Avogadro to handle filtering files +// Directories are at most 2 levels deep until we get to files +bool SortFilterTreeProxyModel::filterAcceptsRow( + int sourceRow, const QModelIndex& sourceParent) const +{ + // First we see if we're the source root node + QModelIndex sourceIndex = sourceModel()->index(sourceRow, 0, sourceParent); + if (!sourceIndex.isValid() || !sourceParent.isValid()) + return true; // viewer will handle filtering + // Make sure the root is always accepted, or we become rootless + // See + // http://stackoverflow.com/questions/3212392/qtreeview-qfilesystemmodel-setrootpath-and-qsortfilterproxymodel-with-regexp-fo + if (m_sourceRoot.isValid() && sourceIndex == m_sourceRoot) { + return true; // true root, always accept + } - // Now we see if we're a child of the root - // If not, we accept -- only filter under *our* tree - // Along the way, we'll see if a parent matches the filter - if (sourceParent != m_sourceRoot) { - bool childOfRoot = false; - QModelIndex parent = sourceParent; - for (int depth = 3; depth > 0; depth--) { - if (sourceModel()->data(parent).toString().contains(filterRegExp())) - return true; // a parent matches the pattern + // Now we see if we're a child of the root + // If not, we accept -- only filter under *our* tree + // Along the way, we'll see if a parent matches the filter + if (sourceParent != m_sourceRoot) { + bool childOfRoot = false; + QModelIndex parent = sourceParent; + for (int depth = 3; depth > 0; depth--) { + if (sourceModel()->data(parent).toString().contains(filterRegExp())) + return true; // a parent matches the pattern - parent = parent.parent(); - if (!parent.isValid()) - return true; // tree view handles filtering, and we ascended too far - if (parent == m_sourceRoot) { - childOfRoot = true; - break; - } + parent = parent.parent(); + if (!parent.isValid()) + return true; // tree view handles filtering, and we ascended too far + if (parent == m_sourceRoot) { + childOfRoot = true; + break; } - // OK, we've gone up the tree, did we find our root? - if (!childOfRoot) - return true; } - // else, sourceParent is a root, so we're good to filter - - // Check if the data for this row matches. If so, the default is to accept - QString data = sourceModel()->data(sourceIndex).toString(); - if (data.contains(filterRegExp())) + // OK, we've gone up the tree, did we find our root? + if (!childOfRoot) return true; + } + // else, sourceParent is a root, so we're good to filter - // Now we have to check the child nodes - // We'll show the row if any child is accepted - // (i.e., if a file matches, we'll show the directory path to it) - // Try to fetchMore() first - sourceModel()->fetchMore(sourceIndex); - for(int i = 0; i < sourceModel()->rowCount(sourceIndex); ++i) { - QModelIndex subRow = sourceModel()->index(i, 0, sourceIndex); - if (!subRow.isValid()) - continue; + // Check if the data for this row matches. If so, the default is to accept + QString data = sourceModel()->data(sourceIndex).toString(); + if (data.contains(filterRegExp())) + return true; - QString rowData = sourceModel()->data(subRow).toString(); - if (rowData.contains(filterRegExp())) - return true; - } - return false; // nothing matched - } + // Now we have to check the child nodes + // We'll show the row if any child is accepted + // (i.e., if a file matches, we'll show the directory path to it) + // Try to fetchMore() first + sourceModel()->fetchMore(sourceIndex); + for (int i = 0; i < sourceModel()->rowCount(sourceIndex); ++i) { + QModelIndex subRow = sourceModel()->index(i, 0, sourceIndex); + if (!subRow.isValid()) + continue; + QString rowData = sourceModel()->data(subRow).toString(); + if (rowData.contains(filterRegExp())) + return true; + } + return false; // nothing matched } + +} // namespace Avogadro::QtGui diff --git a/avogadro/qtgui/sortfiltertreeproxymodel.h b/avogadro/qtgui/sortfiltertreeproxymodel.h index e372749bdf..36d77bacbe 100644 --- a/avogadro/qtgui/sortfiltertreeproxymodel.h +++ b/avogadro/qtgui/sortfiltertreeproxymodel.h @@ -12,25 +12,30 @@ namespace Avogadro::QtGui { - class AVOGADROQTGUI_EXPORT SortFilterTreeProxyModel: public QSortFilterProxyModel +class AVOGADROQTGUI_EXPORT SortFilterTreeProxyModel + : public QSortFilterProxyModel +{ + Q_OBJECT +public: + SortFilterTreeProxyModel(QObject* parent = nullptr) + : QSortFilterProxyModel(parent), m_sourceRoot() { - Q_OBJECT - public: - SortFilterTreeProxyModel(QObject* parent = nullptr) - : QSortFilterProxyModel(parent), m_sourceRoot() - {} - // From http://kodeclutz.blogspot.com/2008/12/filtering-qtreeview.html - bool filterAcceptsRow(int sourceRow, const QModelIndex& sourceParent) const; - - // This is a hack to prevent us from becoming root-less - // See http://stackoverflow.com/questions/3212392/qtreeview-qfilesystemmodel-setrootpath-and-qsortfilterproxymodel-with-regexp-fo - void setSourceRoot(const QModelIndex &sourceRoot) - { m_sourceRoot = sourceRoot; } - - private: - QModelIndex m_sourceRoot; - }; - -} // End Avogadro QtGui namespace + } + // From http://kodeclutz.blogspot.com/2008/12/filtering-qtreeview.html + bool filterAcceptsRow(int sourceRow, const QModelIndex& sourceParent) const; + + // This is a hack to prevent us from becoming root-less + // See + // http://stackoverflow.com/questions/3212392/qtreeview-qfilesystemmodel-setrootpath-and-qsortfilterproxymodel-with-regexp-fo + void setSourceRoot(const QModelIndex& sourceRoot) + { + m_sourceRoot = sourceRoot; + } + +private: + QModelIndex m_sourceRoot; +}; + +} // namespace Avogadro::QtGui #endif diff --git a/avogadro/qtplugins/insertfragment/insertfragment.cpp b/avogadro/qtplugins/insertfragment/insertfragment.cpp index f2a4cba340..6a1cd8a7e6 100644 --- a/avogadro/qtplugins/insertfragment/insertfragment.cpp +++ b/avogadro/qtplugins/insertfragment/insertfragment.cpp @@ -5,8 +5,8 @@ #include "insertfragment.h" -#include #include +#include #include #include @@ -20,8 +20,8 @@ #include using Avogadro::Io::FileFormatManager; -using Avogadro::QtGui::Molecule; using Avogadro::QtGui::InsertFragmentDialog; +using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { @@ -123,4 +123,4 @@ void InsertFragment::performInsert(const QString& fileName, bool crystal) } } -} // namespace Avogadro +} // namespace Avogadro::QtPlugins diff --git a/avogadro/qtplugins/insertfragment/insertfragment.h b/avogadro/qtplugins/insertfragment/insertfragment.h index cfbe9ad33f..5db01c54f7 100644 --- a/avogadro/qtplugins/insertfragment/insertfragment.h +++ b/avogadro/qtplugins/insertfragment/insertfragment.h @@ -17,13 +17,13 @@ namespace Io { class FileFormat; } namespace QtGui { -class InsertFragmentDialog; +class InsertFragmentDialog; } namespace QtPlugins { /** - * @brief Load single-line molecule descriptors through an input dialog. + * @brief Load molecules through a tree browser. */ class InsertFragment : public QtGui::ExtensionPlugin { @@ -42,7 +42,7 @@ public slots: private slots: void showDialog(); - void performInsert(const QString &fileName, bool crystal); + void performInsert(const QString& fileName, bool crystal); private: QList m_actions; diff --git a/avogadro/qtplugins/templatetool/templatetoolwidget.cpp b/avogadro/qtplugins/templatetool/templatetoolwidget.cpp index 2eeee329e6..7191d61b7b 100644 --- a/avogadro/qtplugins/templatetool/templatetoolwidget.cpp +++ b/avogadro/qtplugins/templatetool/templatetoolwidget.cpp @@ -229,7 +229,8 @@ void TemplateToolWidget::ligandChanged(int index) m_ui->ligandPreview->setIcon(QIcon(":/icons/ligands/" + iconName + ".png")); } -void TemplateToolWidget::otherLigandInsert(const QString& fileName, bool crystal) +void TemplateToolWidget::otherLigandInsert(const QString& fileName, + bool crystal) { if (m_fragmentDialog == nullptr) return; @@ -249,7 +250,6 @@ void TemplateToolWidget::otherLigandInsert(const QString& fileName, bool crystal m_ui->ligandPreview->setIcon(QIcon(iconName)); } - void TemplateToolWidget::typeChanged(int index) { QSettings settings; diff --git a/avogadro/qtplugins/templatetool/templatetoolwidget.h b/avogadro/qtplugins/templatetool/templatetoolwidget.h index 5f209c96a0..1889a6ce10 100644 --- a/avogadro/qtplugins/templatetool/templatetoolwidget.h +++ b/avogadro/qtplugins/templatetool/templatetoolwidget.h @@ -12,7 +12,7 @@ namespace Avogadro { namespace QtGui { class PeriodicTableView; class InsertFragmentDialog; -} +} // namespace QtGui namespace QtPlugins { @@ -25,7 +25,7 @@ class TemplateToolWidget : public QWidget Q_OBJECT public: - explicit TemplateToolWidget(QWidget *parent_ = 0); + explicit TemplateToolWidget(QWidget* parent_ = 0); ~TemplateToolWidget(); void setAtomicNumber(unsigned char atomicNum); @@ -39,9 +39,9 @@ class TemplateToolWidget : public QWidget unsigned char ligand() const; QString ligandString() const; - + int denticity() const; - std::vector &selectedUIDs(); + std::vector& selectedUIDs(); private slots: void elementChanged(int index); @@ -49,9 +49,9 @@ private slots: void addUserElement(unsigned char element); void elementSelectedFromTable(int element); void selectElement(unsigned char element); - + void coordinationChanged(int index); - + void typeChanged(int index); void ligandChanged(int index); @@ -62,16 +62,16 @@ private slots: void buildBondOrders(); void saveElements(); - Ui::TemplateToolWidget *m_ui; - QtGui::InsertFragmentDialog *m_fragmentDialog; - QtGui::PeriodicTableView *m_elementSelector; + Ui::TemplateToolWidget* m_ui; + QtGui::InsertFragmentDialog* m_fragmentDialog; + QtGui::PeriodicTableView* m_elementSelector; QList m_defaultElements; QList m_userElements; unsigned char m_currentElement; QStringList m_centers; QStringList m_ligands; QString m_ligandPath; - + int m_denticity; std::vector m_selectedUIDs; }; From c3d124f561743d2aaf8b22c8bb3ba8a86ebcb962 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sun, 19 Nov 2023 08:32:15 -0500 Subject: [PATCH 146/186] Add better tooltip Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/templatetool/templatetool.cpp | 8 ++++++++ avogadro/qtplugins/templatetool/templatetool.h | 15 +++++---------- 2 files changed, 13 insertions(+), 10 deletions(-) diff --git a/avogadro/qtplugins/templatetool/templatetool.cpp b/avogadro/qtplugins/templatetool/templatetool.cpp index 863026428d..6016c14b97 100644 --- a/avogadro/qtplugins/templatetool/templatetool.cpp +++ b/avogadro/qtplugins/templatetool/templatetool.cpp @@ -80,6 +80,14 @@ TemplateTool::TemplateTool(QObject* parent_) { m_activateAction->setText(tr("Template")); m_activateAction->setIcon(QIcon(":/icons/template.png")); + m_activateAction->setToolTip( + tr("Template Tool\n\n" + "Insert fragments, including metal centers.\n" + "Select an element and coordination geometry," + "then click to insert a fragment.\n\n" + "Select a ligand or functional group and click" + "on a hydrogen atom to attach it.")); + reset(); } diff --git a/avogadro/qtplugins/templatetool/templatetool.h b/avogadro/qtplugins/templatetool/templatetool.h index e8c1777fe7..5979c510ed 100644 --- a/avogadro/qtplugins/templatetool/templatetool.h +++ b/avogadro/qtplugins/templatetool/templatetool.h @@ -19,10 +19,11 @@ namespace QtPlugins { class TemplateToolWidget; /** - * @class TemplateTool templatetool.h + * @class TemplateTool templatetool.h + * @brief The Template tool inserts fragments, including metal centers. * @author Geoffrey R. Hutchison, Aritz, Erkiaga - + */ class TemplateTool : public QtGui::ToolPlugin { @@ -43,15 +44,9 @@ class TemplateTool : public QtGui::ToolPlugin m_molecule = mol->undoMolecule(); } - void setEditMolecule(QtGui::RWMolecule* mol) override - { - m_molecule = mol; - } + void setEditMolecule(QtGui::RWMolecule* mol) override { m_molecule = mol; } - void setGLWidget(QtOpenGL::GLWidget* widget) override - { - m_glWidget = widget; - } + void setGLWidget(QtOpenGL::GLWidget* widget) override { m_glWidget = widget; } void setGLRenderer(Rendering::GLRenderer* renderer) override { From b47cd1b29311df95794cd238d3bdbcd3142c53a7 Mon Sep 17 00:00:00 2001 From: ghutchis Date: Sun, 19 Nov 2023 14:57:55 +0000 Subject: [PATCH 147/186] Automated translation updates Signed-off-by: GitHub --- i18n/avogadrolibs.pot | 168 ++++++++++++++++++++++-------------------- 1 file changed, 89 insertions(+), 79 deletions(-) diff --git a/i18n/avogadrolibs.pot b/i18n/avogadrolibs.pot index 4c85805b98..546dff438c 100644 --- a/i18n/avogadrolibs.pot +++ b/i18n/avogadrolibs.pot @@ -6,9 +6,9 @@ #, fuzzy msgid "" msgstr "" -"Project-Id-Version: Avogadro 1.98.0\n" +"Project-Id-Version: Avogadro 1.98.1\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-29 02:01+0000\n" +"POT-Creation-Date: 2023-11-19 14:57+0000\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: FULL NAME \n" "Language-Team: LANGUAGE \n" @@ -955,65 +955,60 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:48 -msgid "" -"The file name contains invalid characters. Please choose another file name." -msgstr "" - -#: qtgui/fileformatdialog.cpp:60 +#: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:108 +#: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:122 +#: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:171 +#: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:172 +#: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:176 +#: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:177 +#: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:181 +#: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:182 +#: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:187 +#: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:287 +#: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" -#: qtgui/fileformatdialog.cpp:290 +#: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" @@ -1288,7 +1283,7 @@ msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 -#: qtplugins/select/select.cpp:527 +#: qtplugins/select/select.cpp:548 #: qtplugins/selectiontool/selectiontool.cpp:254 :1567 msgid "Change Layer" msgstr "" @@ -1308,7 +1303,7 @@ msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) -#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114 :447 +#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114 :459 msgid "Adjust Hydrogens" msgstr "" @@ -1567,7 +1562,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) -#: qtplugins/apbs/apbs.h:31 :84 +#: qtplugins/apbs/apbs.h:31 :96 msgid "APBS" msgstr "" @@ -1630,7 +1625,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) -#: qtplugins/apbs/apbsdialog.cpp:178 :144 +#: qtplugins/apbs/apbsdialog.cpp:178 :156 msgid "Success" msgstr "" @@ -1749,7 +1744,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:756 :171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756 :183 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" @@ -1759,7 +1754,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:758 :168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758 :180 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1769,7 +1764,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:760 :162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760 :174 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" @@ -1779,7 +1774,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:762 :165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762 :177 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1791,7 +1786,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:764 :174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764 :186 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1825,7 +1820,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305 :159 rc.cpp:1603 +#: qtplugins/applycolors/applycolors.cpp:305 :171 rc.cpp:1603 msgid "Colormap:" msgstr "" @@ -2038,7 +2033,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 -#: qtplugins/noncovalent/noncovalent.cpp:351 :189 rc.cpp:192 rc.cpp:369 +#: qtplugins/noncovalent/noncovalent.cpp:351 :201 rc.cpp:204 rc.cpp:381 msgid " Å" msgstr "" @@ -2293,7 +2288,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) -#: qtplugins/copypaste/copypaste.cpp:31 :240 +#: qtplugins/copypaste/copypaste.cpp:31 :252 msgid "Copy" msgstr "" @@ -2309,13 +2304,13 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) -#: qtplugins/copypaste/copypaste.cpp:34 :237 +#: qtplugins/copypaste/copypaste.cpp:34 :249 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) -#: qtplugins/copypaste/copypaste.cpp:35 :249 +#: qtplugins/copypaste/copypaste.cpp:35 :261 msgid "Clear" msgstr "" @@ -2658,6 +2653,14 @@ msgid "Editor tool" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:129 +#: qtplugins/templatetool/templatetoolwidget.cpp:270 +#: qtplugins/templatetool/templatetoolwidget.cpp:283 +#: qtplugins/templatetool/templatetoolwidget.cpp:291 +#: qtplugins/templatetool/templatetoolwidget.cpp:299 +#: qtplugins/templatetool/templatetoolwidget.cpp:307 +#: qtplugins/templatetool/templatetoolwidget.cpp:315 +#: qtplugins/templatetool/templatetoolwidget.cpp:328 +#: qtplugins/templatetool/templatetoolwidget.cpp:390 msgid "Other…" msgstr "" @@ -2776,17 +2779,17 @@ msgstr "" msgid "&Calculate" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:285 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 msgid "Optimize Geometry" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:326 #, qt-format msgid "%1 Energy = %L2" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:330 +#: qtplugins/forcefield/forcefield.cpp:327 #: qtplugins/playertool/playertool.cpp:343 #: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 #: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 @@ -2987,7 +2990,7 @@ msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168 :600 +#: qtplugins/insertdna/insertdna.cpp:168 :612 msgid "Thymine" msgstr "" @@ -3027,7 +3030,7 @@ msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) -#: qtplugins/insertfragment/insertfragment.cpp:117 :342 +#: qtplugins/insertfragment/insertfragment.cpp:117 :354 msgid "Import Crystal" msgstr "" @@ -4198,7 +4201,7 @@ msgstr "" msgid "Select None" msgstr "" -#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:516 +#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:537 msgid "Invert Selection" msgstr "" @@ -4226,11 +4229,11 @@ msgstr "" msgid "Select Water…" msgstr "" -#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:352 +#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:368 msgid "Enlarge Selection" msgstr "" -#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:387 +#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:404 msgid "Shrink Selection" msgstr "" @@ -4250,39 +4253,39 @@ msgstr "" msgid "Select Element" msgstr "" -#: qtplugins/select/select.cpp:216 +#: qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" -#: qtplugins/select/select.cpp:254 +#: qtplugins/select/select.cpp:266 msgid "Select Backbone" msgstr "" -#: qtplugins/select/select.cpp:288 +#: qtplugins/select/select.cpp:302 msgid "Select Sidechain" msgstr "" -#: qtplugins/select/select.cpp:409 +#: qtplugins/select/select.cpp:428 msgid "Select Atoms by Index" msgstr "" -#: qtplugins/select/select.cpp:410 +#: qtplugins/select/select.cpp:429 msgid "Atoms to Select:" msgstr "" -#: qtplugins/select/select.cpp:415 +#: qtplugins/select/select.cpp:434 msgid "Select Atom" msgstr "" -#: qtplugins/select/select.cpp:448 +#: qtplugins/select/select.cpp:469 msgid "Select Atoms by Residue" msgstr "" -#: qtplugins/select/select.cpp:449 +#: qtplugins/select/select.cpp:470 msgid "Residues to Select:" msgstr "" -#: qtplugins/select/select.cpp:454 +#: qtplugins/select/select.cpp:475 msgid "Select Residue" msgstr "" @@ -4623,23 +4626,30 @@ msgstr "" msgid "Template" msgstr "" -#: qtplugins/templatetool/templatetool.cpp:294 +#: qtplugins/templatetool/templatetool.cpp:84 +msgid "" +"Template Tool\n" +"\n" +"Insert fragments, including metal centers.\n" +"Select an element and coordination geometry,then click to insert a " +"fragment.\n" +"\n" +"Select a ligand or functional group and clickon a hydrogen atom to attach it." +msgstr "" + +#: qtplugins/templatetool/templatetool.cpp:302 msgid "Insert Template" msgstr "" -#: qtplugins/templatetool/templatetool.cpp:544 +#: qtplugins/templatetool/templatetool.cpp:559 msgid "Insert Ligand" msgstr "" -#: qtplugins/templatetool/templatetool.h:34 #: qtplugins/templatetool/templatetool.h:35 +#: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" -#: qtplugins/templatetool/templatetoolwidget.cpp:288 -msgid "Other..." -msgstr "" - #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" @@ -4854,6 +4864,28 @@ msgstr "" msgid "Rename Elements" msgstr "" +#. i18n: file: qtgui/insertfragmentdialog.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) +msgid "Insert Fragment…" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:22 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Filter:" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:29 +#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) +msgid "Type a name or part of a name to show only matching files." +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:86 +#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) +#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 +#. i18n: ectx: property (text), widget (QPushButton, insertButton) +msgid "Insert" +msgstr "" + #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" @@ -5694,28 +5726,6 @@ msgctxt "double-strand DNA" msgid "Double" msgstr "" -#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 -#. i18n: ectx: property (text), widget (QPushButton, insertButton) -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 -#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) -msgid "Insert" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -msgid "Insert Fragment…" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Filter:" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 -#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) -msgid "Type a name or part of a name to show only matching files." -msgstr "" - #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" From 5916cbb948d747e1b2b1e6834985a7f4d1fbea58 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sun, 19 Nov 2023 11:48:23 -0500 Subject: [PATCH 148/186] [no-ci] Fix a few remaining cases of .. instead of ellipsis character Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/coordinateeditor/coordinateeditordialog.ui | 2 +- avogadro/qtplugins/cp2kinput/cp2kinputdialog.ui | 4 ++-- avogadro/qtplugins/gamessinput/gamessinputdialog.ui | 4 ++-- avogadro/qtplugins/lammpsinput/lammpsinputdialog.ui | 2 +- avogadro/qtplugins/openmminput/openmminputdialog.ui | 2 +- avogadro/qtplugins/plugindownloader/downloaderwidget.ui | 2 +- avogadro/qtplugins/surfaces/surfacedialog.ui | 2 +- 7 files changed, 9 insertions(+), 9 deletions(-) diff --git a/avogadro/qtplugins/coordinateeditor/coordinateeditordialog.ui b/avogadro/qtplugins/coordinateeditor/coordinateeditordialog.ui index 1862a884e3..e7f65a9382 100644 --- a/avogadro/qtplugins/coordinateeditor/coordinateeditordialog.ui +++ b/avogadro/qtplugins/coordinateeditor/coordinateeditordialog.ui @@ -75,7 +75,7 @@ - Help... + Help… diff --git a/avogadro/qtplugins/cp2kinput/cp2kinputdialog.ui b/avogadro/qtplugins/cp2kinput/cp2kinputdialog.ui index fc9e912a5b..c957c72ee2 100644 --- a/avogadro/qtplugins/cp2kinput/cp2kinputdialog.ui +++ b/avogadro/qtplugins/cp2kinput/cp2kinputdialog.ui @@ -49,14 +49,14 @@ - Submit Calculation... + Submit Calculation… - Save File... + Save File… diff --git a/avogadro/qtplugins/gamessinput/gamessinputdialog.ui b/avogadro/qtplugins/gamessinput/gamessinputdialog.ui index c0ee47a4bc..0736d15a37 100644 --- a/avogadro/qtplugins/gamessinput/gamessinputdialog.ui +++ b/avogadro/qtplugins/gamessinput/gamessinputdialog.ui @@ -285,14 +285,14 @@ - Submit Calculation... + Submit Calculation… - Save File... + Save File… diff --git a/avogadro/qtplugins/lammpsinput/lammpsinputdialog.ui b/avogadro/qtplugins/lammpsinput/lammpsinputdialog.ui index 13982a7d2b..36edbd1066 100644 --- a/avogadro/qtplugins/lammpsinput/lammpsinputdialog.ui +++ b/avogadro/qtplugins/lammpsinput/lammpsinputdialog.ui @@ -945,7 +945,7 @@ p, li { white-space: pre-wrap; } - Generate... + Generate… diff --git a/avogadro/qtplugins/openmminput/openmminputdialog.ui b/avogadro/qtplugins/openmminput/openmminputdialog.ui index 0884f1015b..8b6c3540e3 100644 --- a/avogadro/qtplugins/openmminput/openmminputdialog.ui +++ b/avogadro/qtplugins/openmminput/openmminputdialog.ui @@ -1009,7 +1009,7 @@ - Generate... + Generate… diff --git a/avogadro/qtplugins/plugindownloader/downloaderwidget.ui b/avogadro/qtplugins/plugindownloader/downloaderwidget.ui index 9c3fb925f1..506e89f964 100644 --- a/avogadro/qtplugins/plugindownloader/downloaderwidget.ui +++ b/avogadro/qtplugins/plugindownloader/downloaderwidget.ui @@ -11,7 +11,7 @@ - Download Plugins... + Download Plugins… diff --git a/avogadro/qtplugins/surfaces/surfacedialog.ui b/avogadro/qtplugins/surfaces/surfacedialog.ui index 0b06d2410d..47a3a10c7d 100644 --- a/avogadro/qtplugins/surfaces/surfacedialog.ui +++ b/avogadro/qtplugins/surfaces/surfacedialog.ui @@ -525,7 +525,7 @@ false - Record Movie... + Record Movie… true From 573118a27671c909737016b40b9da168f8d6134a Mon Sep 17 00:00:00 2001 From: ghutchis Date: Sun, 19 Nov 2023 16:50:12 +0000 Subject: [PATCH 149/186] Automated translation updates Signed-off-by: GitHub --- i18n/avogadrolibs.pot | 37 ++++++++++++++----------------------- 1 file changed, 14 insertions(+), 23 deletions(-) diff --git a/i18n/avogadrolibs.pot b/i18n/avogadrolibs.pot index 546dff438c..e52c697372 100644 --- a/i18n/avogadrolibs.pot +++ b/i18n/avogadrolibs.pot @@ -8,7 +8,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.98.1\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: FULL NAME \n" "Language-Team: LANGUAGE \n" @@ -3708,7 +3708,9 @@ msgstr "" msgid "Dynamic bonding?" msgstr "" -#: qtplugins/playertool/playertool.cpp:139 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 +#. i18n: ectx: property (text), widget (QPushButton, recordButton) +#: qtplugins/playertool/playertool.cpp:139 :1684 msgid "Record Movie…" msgstr "" @@ -3860,7 +3862,9 @@ msgstr "" msgid "Error while extracting: %1" msgstr "" -#: qtplugins/plugindownloader/plugindownloader.cpp:27 +#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) +#: qtplugins/plugindownloader/plugindownloader.cpp:27 :1540 msgid "Download Plugins…" msgstr "" @@ -4787,6 +4791,10 @@ msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" @@ -5112,7 +5120,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) -msgid "Help..." +msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 @@ -5149,18 +5157,11 @@ msgstr "" msgid "Defaults" msgstr "" -#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -msgid "Submit Calculation..." -msgstr "" - #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Save File..." +msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 @@ -6232,7 +6233,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Generate..." +msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 @@ -6856,11 +6857,6 @@ msgstr "" msgid "Max 2*theta:" msgstr "" -#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) -msgid "Download Plugins..." -msgstr "" - #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" @@ -7005,11 +7001,6 @@ msgstr "" msgid "Calculate" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 -#. i18n: ectx: property (text), widget (QPushButton, recordButton) -msgid "Record Movie..." -msgstr "" - #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" From bff25e6d98b9ac802f373e37facce8778d6dd003 Mon Sep 17 00:00:00 2001 From: Hosted Weblate Date: Sun, 19 Nov 2023 16:42:22 +0000 Subject: [PATCH 150/186] Update translation files Updated by "Update PO files to match POT (msgmerge)" hook in Weblate. Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ --- i18n/af.po | 166 ++++++++++++++------------- i18n/ar.po | 166 ++++++++++++++------------- i18n/bg.po | 166 ++++++++++++++------------- i18n/bs.po | 173 +++++++++++++++------------- i18n/ca.po | 175 +++++++++++++++------------- i18n/ca@valencia.po | 173 +++++++++++++++------------- i18n/cs.po | 175 +++++++++++++++------------- i18n/da.po | 177 +++++++++++++++------------- i18n/de.po | 171 ++++++++++++++------------- i18n/el.po | 177 +++++++++++++++------------- i18n/en_AU.po | 274 ++++++++++++++++++++++++-------------------- i18n/en_CA.po | 274 ++++++++++++++++++++++++-------------------- i18n/en_GB.po | 274 ++++++++++++++++++++++++-------------------- i18n/eo.po | 177 +++++++++++++++------------- i18n/es.po | 182 ++++++++++++++++------------- i18n/et.po | 166 ++++++++++++++------------- i18n/eu.po | 177 +++++++++++++++------------- i18n/fa.po | 166 ++++++++++++++------------- i18n/fi.po | 173 +++++++++++++++------------- i18n/fr.po | 173 +++++++++++++++------------- i18n/fr_CA.po | 166 ++++++++++++++------------- i18n/gl.po | 173 +++++++++++++++------------- i18n/he.po | 166 ++++++++++++++------------- i18n/hi.po | 166 ++++++++++++++------------- i18n/hr.po | 166 ++++++++++++++------------- i18n/hu.po | 182 ++++++++++++++++------------- i18n/id.po | 173 +++++++++++++++------------- i18n/it.po | 177 +++++++++++++++------------- i18n/ja.po | 169 ++++++++++++++------------- i18n/ka.po | 169 ++++++++++++++------------- i18n/kn.po | 166 ++++++++++++++------------- i18n/ko.po | 169 ++++++++++++++------------- i18n/ms.po | 173 +++++++++++++++------------- i18n/nb.po | 170 ++++++++++++++------------- i18n/nl.po | 173 +++++++++++++++------------- i18n/oc.po | 173 +++++++++++++++------------- i18n/pl.po | 168 ++++++++++++++------------- i18n/pt.po | 177 +++++++++++++++------------- i18n/pt_BR.po | 177 +++++++++++++++------------- i18n/ro.po | 166 ++++++++++++++------------- i18n/ru.po | 177 +++++++++++++++------------- i18n/sa.po | 166 ++++++++++++++------------- i18n/sk.po | 177 +++++++++++++++------------- i18n/sl.po | 173 +++++++++++++++------------- i18n/sq.po | 166 ++++++++++++++------------- i18n/sr.po | 177 +++++++++++++++------------- i18n/sv.po | 170 ++++++++++++++------------- i18n/ta.po | 166 ++++++++++++++------------- i18n/te.po | 166 ++++++++++++++------------- i18n/th.po | 166 ++++++++++++++------------- i18n/tr.po | 173 +++++++++++++++------------- i18n/ug.po | 169 ++++++++++++++------------- i18n/uk.po | 173 +++++++++++++++------------- i18n/vi.po | 173 +++++++++++++++------------- i18n/zh_CN.po | 173 +++++++++++++++------------- i18n/zh_TW.po | 173 +++++++++++++++------------- 56 files changed, 5307 insertions(+), 4605 deletions(-) diff --git a/i18n/af.po b/i18n/af.po index 539182a6de..d2a4a5c19c 100644 --- a/i18n/af.po +++ b/i18n/af.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-29 02:01+0000\n" +"POT-Creation-Date: 2023-11-19 14:57+0000\n" "PO-Revision-Date: 2021-06-19 13:34+0000\n" "Last-Translator: Nathan \n" "Language-Team: Afrikaans \n" "Language-Team: Arabic \n" "Language-Team: Bulgarian \n" "Language-Team: Bosnian \n" "Language-Team: Catalan \n" "Language-Team: Catalan (Valencia) \n" @@ -958,67 +958,62 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:48 -msgid "" -"The file name contains invalid characters. Please choose another file name." -msgstr "" - -#: qtgui/fileformatdialog.cpp:60 +#: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:108 +#: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:122 +#: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:171 +#: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:172 +#: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:176 +#: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:177 +#: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:181 +#: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:182 +#: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:187 +#: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:287 +#: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Tots els fitxers" -#: qtgui/fileformatdialog.cpp:290 +#: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" @@ -1305,7 +1300,7 @@ msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 -#: qtplugins/select/select.cpp:527 +#: qtplugins/select/select.cpp:548 #: qtplugins/selectiontool/selectiontool.cpp:254:1567 #, fuzzy msgid "Change Layer" @@ -1326,7 +1321,7 @@ msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) -#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:447 +#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:459 msgid "Adjust Hydrogens" msgstr "Ajusta els hidrògens" @@ -1610,7 +1605,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) -#: qtplugins/apbs/apbs.h:31:84 +#: qtplugins/apbs/apbs.h:31:96 msgid "APBS" msgstr "" @@ -1673,7 +1668,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) -#: qtplugins/apbs/apbsdialog.cpp:178:144 +#: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Èxit!" @@ -1801,7 +1796,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:183 rc.cpp:1615 #, fuzzy #| msgid "Spectra" msgctxt "colormap" @@ -1813,7 +1808,7 @@ msgstr "Espectre" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:180 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1823,7 +1818,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1835,7 +1830,7 @@ msgstr "Cancel·la" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:177 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1847,7 +1842,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:186 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1885,7 +1880,7 @@ msgstr "Colors seleccionats" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 +#: qtplugins/applycolors/applycolors.cpp:305:171 rc.cpp:1603 #, fuzzy #| msgid "Color:" msgid "Colormap:" @@ -2122,7 +2117,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 -#: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 +#: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:381 msgid " Å" msgstr "" @@ -2396,7 +2391,7 @@ msgstr "Entrada turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) -#: qtplugins/copypaste/copypaste.cpp:31:240 +#: qtplugins/copypaste/copypaste.cpp:31:252 #, fuzzy msgid "Copy" msgstr "Copia-ho tot" @@ -2414,13 +2409,13 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) -#: qtplugins/copypaste/copypaste.cpp:34:237 +#: qtplugins/copypaste/copypaste.cpp:34:249 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) -#: qtplugins/copypaste/copypaste.cpp:35:249 +#: qtplugins/copypaste/copypaste.cpp:35:261 #, fuzzy msgid "Clear" msgstr "Suprimeix-ho tot" @@ -2774,6 +2769,14 @@ msgid "Editor tool" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:129 +#: qtplugins/templatetool/templatetoolwidget.cpp:270 +#: qtplugins/templatetool/templatetoolwidget.cpp:283 +#: qtplugins/templatetool/templatetoolwidget.cpp:291 +#: qtplugins/templatetool/templatetoolwidget.cpp:299 +#: qtplugins/templatetool/templatetoolwidget.cpp:307 +#: qtplugins/templatetool/templatetoolwidget.cpp:315 +#: qtplugins/templatetool/templatetoolwidget.cpp:328 +#: qtplugins/templatetool/templatetoolwidget.cpp:390 #, fuzzy #| msgid "Other" msgid "Other…" @@ -2908,19 +2911,19 @@ msgstr "Fixa els àtoms seleccionats" msgid "&Calculate" msgstr "Calcula" -#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:285 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 #, fuzzy msgid "Optimize Geometry" msgstr "&Optimitza Geometria" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:326 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energia = %L1 %2" -#: qtplugins/forcefield/forcefield.cpp:330 +#: qtplugins/forcefield/forcefield.cpp:327 #: qtplugins/playertool/playertool.cpp:343 #: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 #: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 @@ -3141,7 +3144,7 @@ msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:600 +#: qtplugins/insertdna/insertdna.cpp:168:612 msgid "Thymine" msgstr "" @@ -3187,7 +3190,7 @@ msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) -#: qtplugins/insertfragment/insertfragment.cpp:117:342 +#: qtplugins/insertfragment/insertfragment.cpp:117:354 msgid "Import Crystal" msgstr "" @@ -4460,7 +4463,7 @@ msgstr "" msgid "Select None" msgstr "" -#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:516 +#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:537 msgid "Invert Selection" msgstr "" @@ -4496,13 +4499,13 @@ msgstr "Index d'àtoms" msgid "Select Water…" msgstr "Index d'àtoms" -#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:352 +#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:368 #, fuzzy #| msgid "Ignore Selection" msgid "Enlarge Selection" msgstr "Ignora la selecció" -#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:387 +#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:404 #, fuzzy #| msgid "Selection" msgid "Shrink Selection" @@ -4526,44 +4529,44 @@ msgstr "&Selecciona" msgid "Select Element" msgstr "Color per element" -#: qtplugins/select/select.cpp:216 +#: qtplugins/select/select.cpp:217 #, fuzzy msgid "Select Water" msgstr "Index d'àtoms" -#: qtplugins/select/select.cpp:254 +#: qtplugins/select/select.cpp:266 #, fuzzy msgid "Select Backbone" msgstr "Index d'àtoms" -#: qtplugins/select/select.cpp:288 +#: qtplugins/select/select.cpp:302 #, fuzzy msgid "Select Sidechain" msgstr "Index d'àtoms" -#: qtplugins/select/select.cpp:409 +#: qtplugins/select/select.cpp:428 msgid "Select Atoms by Index" msgstr "" -#: qtplugins/select/select.cpp:410 +#: qtplugins/select/select.cpp:429 msgid "Atoms to Select:" msgstr "" -#: qtplugins/select/select.cpp:415 +#: qtplugins/select/select.cpp:434 #, fuzzy #| msgid "Delete Atom" msgid "Select Atom" msgstr "Suprimeix l'àtom" -#: qtplugins/select/select.cpp:448 +#: qtplugins/select/select.cpp:469 msgid "Select Atoms by Residue" msgstr "" -#: qtplugins/select/select.cpp:449 +#: qtplugins/select/select.cpp:470 msgid "Residues to Select:" msgstr "" -#: qtplugins/select/select.cpp:454 +#: qtplugins/select/select.cpp:475 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" @@ -4933,28 +4936,35 @@ msgstr "" msgid "Template" msgstr "Temperatura:" -#: qtplugins/templatetool/templatetool.cpp:294 +#: qtplugins/templatetool/templatetool.cpp:84 +msgid "" +"Template Tool\n" +"\n" +"Insert fragments, including metal centers.\n" +"Select an element and coordination geometry,then click to insert a " +"fragment.\n" +"\n" +"Select a ligand or functional group and clickon a hydrogen atom to attach it." +msgstr "" + +#: qtplugins/templatetool/templatetool.cpp:302 #, fuzzy #| msgid "Insert Peptide" msgid "Insert Template" msgstr "Insereix un pèptid" -#: qtplugins/templatetool/templatetool.cpp:544 +#: qtplugins/templatetool/templatetool.cpp:559 #, fuzzy #| msgid "Insert Peptide" msgid "Insert Ligand" msgstr "Insereix un pèptid" -#: qtplugins/templatetool/templatetool.h:34 #: qtplugins/templatetool/templatetool.h:35 +#: qtplugins/templatetool/templatetool.h:36 #, fuzzy msgid "Template tool" msgstr "Mesura" -#: qtplugins/templatetool/templatetoolwidget.cpp:288 -msgid "Other..." -msgstr "Altre..." - #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" @@ -5174,6 +5184,30 @@ msgstr "" msgid "Rename Elements" msgstr "" +#. i18n: file: qtgui/insertfragmentdialog.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) +#, fuzzy +#| msgid "Insert Fragment" +msgid "Insert Fragment…" +msgstr "Insereix un fragment" + +#. i18n: file: qtgui/insertfragmentdialog.ui:22 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Filter:" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:29 +#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) +msgid "Type a name or part of a name to show only matching files." +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:86 +#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) +#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 +#. i18n: ectx: property (text), widget (QPushButton, insertButton) +msgid "Insert" +msgstr "" + #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" @@ -6048,30 +6082,6 @@ msgctxt "double-strand DNA" msgid "Double" msgstr "Doble" -#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 -#. i18n: ectx: property (text), widget (QPushButton, insertButton) -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 -#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) -msgid "Insert" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -#, fuzzy -#| msgid "Insert Fragment" -msgid "Insert Fragment…" -msgstr "Insereix un fragment" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Filter:" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 -#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) -msgid "Type a name or part of a name to show only matching files." -msgstr "" - #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" @@ -7801,6 +7811,9 @@ msgstr "" "devel@lists.sourceforge.net,,el.libre@gmail.com,,,avogadro-devel@lists." "sourceforge.net,,el.libre@gmail.com" +#~ msgid "Other..." +#~ msgstr "Altre..." + #, fuzzy #~ msgid "Filename" #~ msgstr "Nom de fitxer:" diff --git a/i18n/cs.po b/i18n/cs.po index 86f82446ce..b758c94697 100644 --- a/i18n/cs.po +++ b/i18n/cs.po @@ -10,7 +10,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-29 02:01+0000\n" +"POT-Creation-Date: 2023-11-19 14:57+0000\n" "PO-Revision-Date: 2023-10-31 11:02+0000\n" "Last-Translator: Martin Slavík \n" "Language-Team: Czech \n" "Language-Team: Danish \n" @@ -956,67 +956,62 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:48 -msgid "" -"The file name contains invalid characters. Please choose another file name." -msgstr "" - -#: qtgui/fileformatdialog.cpp:60 +#: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:108 +#: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:122 +#: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:171 +#: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:172 +#: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:176 +#: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:177 +#: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:181 +#: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:182 +#: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:187 +#: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:287 +#: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Alle filer" -#: qtgui/fileformatdialog.cpp:290 +#: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" @@ -1300,7 +1295,7 @@ msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 -#: qtplugins/select/select.cpp:527 +#: qtplugins/select/select.cpp:548 #: qtplugins/selectiontool/selectiontool.cpp:254:1567 #, fuzzy msgid "Change Layer" @@ -1321,7 +1316,7 @@ msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) -#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:447 +#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:459 msgid "Adjust Hydrogens" msgstr "Juster brintatomer" @@ -1604,7 +1599,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) -#: qtplugins/apbs/apbs.h:31:84 +#: qtplugins/apbs/apbs.h:31:96 msgid "APBS" msgstr "" @@ -1667,7 +1662,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) -#: qtplugins/apbs/apbsdialog.cpp:178:144 +#: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Succes!" @@ -1794,7 +1789,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:183 rc.cpp:1615 #, fuzzy #| msgid "Spectra" msgctxt "colormap" @@ -1806,7 +1801,7 @@ msgstr "Spektre" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:180 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1816,7 +1811,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1828,7 +1823,7 @@ msgstr "Annullér" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:177 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1840,7 +1835,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:186 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1878,7 +1873,7 @@ msgstr "Valgte farver" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 +#: qtplugins/applycolors/applycolors.cpp:305:171 rc.cpp:1603 #, fuzzy msgid "Colormap:" msgstr "Farver:" @@ -2110,7 +2105,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 -#: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 +#: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:381 msgid " Å" msgstr "" @@ -2379,7 +2374,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) -#: qtplugins/copypaste/copypaste.cpp:31:240 +#: qtplugins/copypaste/copypaste.cpp:31:252 msgid "Copy" msgstr "" @@ -2396,13 +2391,13 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) -#: qtplugins/copypaste/copypaste.cpp:34:237 +#: qtplugins/copypaste/copypaste.cpp:34:249 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) -#: qtplugins/copypaste/copypaste.cpp:35:249 +#: qtplugins/copypaste/copypaste.cpp:35:261 msgid "Clear" msgstr "" @@ -2762,6 +2757,14 @@ msgid "Editor tool" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:129 +#: qtplugins/templatetool/templatetoolwidget.cpp:270 +#: qtplugins/templatetool/templatetoolwidget.cpp:283 +#: qtplugins/templatetool/templatetoolwidget.cpp:291 +#: qtplugins/templatetool/templatetoolwidget.cpp:299 +#: qtplugins/templatetool/templatetoolwidget.cpp:307 +#: qtplugins/templatetool/templatetoolwidget.cpp:315 +#: qtplugins/templatetool/templatetoolwidget.cpp:328 +#: qtplugins/templatetool/templatetoolwidget.cpp:390 #, fuzzy #| msgid "Other..." msgid "Other…" @@ -2895,19 +2898,19 @@ msgstr "Ret valgte atomer" msgid "&Calculate" msgstr "Udregn energi" -#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:285 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 #, fuzzy msgid "Optimize Geometry" msgstr "&Optimer geometri" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:326 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energi = %L1 %2" -#: qtplugins/forcefield/forcefield.cpp:330 +#: qtplugins/forcefield/forcefield.cpp:327 #: qtplugins/playertool/playertool.cpp:343 #: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 #: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 @@ -3124,7 +3127,7 @@ msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:600 +#: qtplugins/insertdna/insertdna.cpp:168:612 msgid "Thymine" msgstr "" @@ -3171,7 +3174,7 @@ msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) -#: qtplugins/insertfragment/insertfragment.cpp:117:342 +#: qtplugins/insertfragment/insertfragment.cpp:117:354 msgid "Import Crystal" msgstr "" @@ -4427,7 +4430,7 @@ msgstr "" msgid "Select None" msgstr "" -#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:516 +#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:537 msgid "Invert Selection" msgstr "" @@ -4463,13 +4466,13 @@ msgstr "Atom nummer" msgid "Select Water…" msgstr "Atom nummer" -#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:352 +#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:368 #, fuzzy #| msgid "Ignore Selection" msgid "Enlarge Selection" msgstr "Ignorér markering" -#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:387 +#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:404 #, fuzzy #| msgid "Selection" msgid "Shrink Selection" @@ -4493,44 +4496,44 @@ msgstr "&Vælg" msgid "Select Element" msgstr "Vælg efter rest..." -#: qtplugins/select/select.cpp:216 +#: qtplugins/select/select.cpp:217 #, fuzzy msgid "Select Water" msgstr "Atom nummer" -#: qtplugins/select/select.cpp:254 +#: qtplugins/select/select.cpp:266 #, fuzzy msgid "Select Backbone" msgstr "Atom nummer" -#: qtplugins/select/select.cpp:288 +#: qtplugins/select/select.cpp:302 #, fuzzy msgid "Select Sidechain" msgstr "Atom nummer" -#: qtplugins/select/select.cpp:409 +#: qtplugins/select/select.cpp:428 msgid "Select Atoms by Index" msgstr "" -#: qtplugins/select/select.cpp:410 +#: qtplugins/select/select.cpp:429 msgid "Atoms to Select:" msgstr "" -#: qtplugins/select/select.cpp:415 +#: qtplugins/select/select.cpp:434 #, fuzzy #| msgid "Delete Atom" msgid "Select Atom" msgstr "Slet atom" -#: qtplugins/select/select.cpp:448 +#: qtplugins/select/select.cpp:469 msgid "Select Atoms by Residue" msgstr "" -#: qtplugins/select/select.cpp:449 +#: qtplugins/select/select.cpp:470 msgid "Residues to Select:" msgstr "" -#: qtplugins/select/select.cpp:454 +#: qtplugins/select/select.cpp:475 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" @@ -4897,30 +4900,35 @@ msgstr "" msgid "Template" msgstr "" -#: qtplugins/templatetool/templatetool.cpp:294 +#: qtplugins/templatetool/templatetool.cpp:84 +msgid "" +"Template Tool\n" +"\n" +"Insert fragments, including metal centers.\n" +"Select an element and coordination geometry,then click to insert a " +"fragment.\n" +"\n" +"Select a ligand or functional group and clickon a hydrogen atom to attach it." +msgstr "" + +#: qtplugins/templatetool/templatetool.cpp:302 #, fuzzy #| msgid "Insert Peptide" msgid "Insert Template" msgstr "Indsæt peptid" -#: qtplugins/templatetool/templatetool.cpp:544 +#: qtplugins/templatetool/templatetool.cpp:559 #, fuzzy #| msgid "Insert Peptide" msgid "Insert Ligand" msgstr "Indsæt peptid" -#: qtplugins/templatetool/templatetool.h:34 #: qtplugins/templatetool/templatetool.h:35 +#: qtplugins/templatetool/templatetool.h:36 #, fuzzy msgid "Template tool" msgstr "Mål" -#: qtplugins/templatetool/templatetoolwidget.cpp:288 -#, fuzzy -#| msgid "Other..." -msgid "Other..." -msgstr "Andet..." - #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" @@ -5137,6 +5145,30 @@ msgstr "" msgid "Rename Elements" msgstr "" +#. i18n: file: qtgui/insertfragmentdialog.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) +#, fuzzy +#| msgid "Insert Fragment" +msgid "Insert Fragment…" +msgstr "Indsæt fragment" + +#. i18n: file: qtgui/insertfragmentdialog.ui:22 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Filter:" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:29 +#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) +msgid "Type a name or part of a name to show only matching files." +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:86 +#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) +#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 +#. i18n: ectx: property (text), widget (QPushButton, insertButton) +msgid "Insert" +msgstr "" + #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" @@ -5996,30 +6028,6 @@ msgctxt "double-strand DNA" msgid "Double" msgstr "Dobbelt" -#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 -#. i18n: ectx: property (text), widget (QPushButton, insertButton) -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 -#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) -msgid "Insert" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -#, fuzzy -#| msgid "Insert Fragment" -msgid "Insert Fragment…" -msgstr "Indsæt fragment" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Filter:" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 -#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) -msgid "Type a name or part of a name to show only matching files." -msgstr "" - #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" @@ -7742,6 +7750,11 @@ msgstr "" "devel@lists.sourceforge.net,,olegb@omgwtf.dk,,loniedavid@gmail.com,jvd@tuta." "io," +#, fuzzy +#~| msgid "Other..." +#~ msgid "Other..." +#~ msgstr "Andet..." + #, fuzzy #~ msgid "Filename" #~ msgstr "Filnavn:" diff --git a/i18n/de.po b/i18n/de.po index 186695b1e0..1f7be26da8 100644 --- a/i18n/de.po +++ b/i18n/de.po @@ -11,7 +11,7 @@ msgid "" msgstr "" "Project-Id-Version: _avogadro-de\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-29 02:01+0000\n" +"POT-Creation-Date: 2023-11-19 14:57+0000\n" "PO-Revision-Date: 2023-08-17 15:50+0000\n" "Last-Translator: Norwid Behrnd \n" "Language-Team: German \n" "Language-Team: Greek \n" "Language-Team: English (United Kingdom)

Number of processor cores to reserve for this job." msgstr "" -"

Number of processor cores to reserve for this " -"job.

" +"

Number of processor cores to reserve for this job." #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) @@ -4986,8 +4996,8 @@ msgid "" "body>" msgstr "" "

Delete remote working files upon job completion. " -"Results will still be copied to the local MoleQueue job cache " -"first.

" +"Results will still be copied to the local MoleQueue job cache first.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) @@ -5032,6 +5042,28 @@ msgstr "Open output when finished:" msgid "Rename Elements" msgstr "Rename Elements" +#. i18n: file: qtgui/insertfragmentdialog.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) +msgid "Insert Fragment…" +msgstr "Insert Fragment…" + +#. i18n: file: qtgui/insertfragmentdialog.ui:22 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Filter:" +msgstr "Filter:" + +#. i18n: file: qtgui/insertfragmentdialog.ui:29 +#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) +msgid "Type a name or part of a name to show only matching files." +msgstr "Type a name or part of a name to show only matching files." + +#. i18n: file: qtgui/insertfragmentdialog.ui:86 +#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) +#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 +#. i18n: ectx: property (text), widget (QPushButton, insertButton) +msgid "Insert" +msgstr "Insert" + #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" @@ -5261,20 +5293,20 @@ msgstr "" "span> - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " -"\"Carbon\")
S - Element symbol (" -"e.g. \"C\" for carbon)
L - Atom " -"label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen)
x - X position coordinate
S - Element symbol " +"(e.g. \"C\" for carbon)
L - " +"Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " +"
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate (" -"crystals only)
b - 'b' lattice " +">a - 'a' lattice coordinate " +"(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " -"'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful for optimization " -"flags
1 - A literal 1 (\"1\"), " -"useful for optimization flags

" +"'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful for " +"optimization flags
1 - A " +"literal 1 (\"1\"), useful for optimization flags

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) @@ -5892,28 +5924,6 @@ msgctxt "double-strand DNA" msgid "Double" msgstr "Double" -#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 -#. i18n: ectx: property (text), widget (QPushButton, insertButton) -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 -#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) -msgid "Insert" -msgstr "Insert" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -msgid "Insert Fragment…" -msgstr "Insert Fragment…" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Filter:" -msgstr "Filter:" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 -#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) -msgid "Type a name or part of a name to show only matching files." -msgstr "Type a name or part of a name to show only matching files." - #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" @@ -7020,8 +7030,8 @@ msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" -"

The broadening of the peak at the base (in " -"degrees).

" +"

The broadening of the peak at the base (in degrees)." #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) @@ -7029,8 +7039,8 @@ msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" -"

The max 2theta value in degrees.

Default: 162." -"00°

" +"

The max 2theta value in degrees.

Default: " +"162.00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) @@ -7038,8 +7048,8 @@ msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" -"

The broadening of the peaks at the base in " -"degrees.

Default: 0.52958°

" +"

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) @@ -7062,8 +7072,8 @@ msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" -"

The wavelength of the x-ray in Ångstroms. " -"

Default: 1.50560 Å

" +"

The wavelength of the x-ray in Ångstroms.

Default: 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) @@ -7071,8 +7081,8 @@ msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" -"

The number of 2theta points to generate.

Default:" -" 1000

" +"

The number of 2theta points to generate.

Default: 1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) @@ -7507,8 +7517,8 @@ msgstr "" "addition, if a density-of-states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density-of-" "states calculation.

If this box is checked, be sure the correct Fermi " -"level is set in the spinbox on the right.

Default: " -"off

" +"level is set in the spinbox on the right.

Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) @@ -7523,8 +7533,8 @@ msgid "" "p>

Default: off

" msgstr "" "

Adjust the energies so that the zero is the Fermi? " -"Only available if we are plotting the Fermi level.


Default:" -" off

" +"Only available if we are plotting the Fermi level.


Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) @@ -7567,16 +7577,16 @@ msgid "" "b) - that is taken into account automatically.

" msgstr "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " -"<x> <y> <z> where x, y, and z are fractional reciprocal " -"space coordinates. Lines will be drawn connecting these k-points on the " -"graph in the order you put them in. Please note that the orientation of your " -"cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " -"special k points will be automatically filled up with the primitive cell " -"high symmetry points for that space group. There are a few space groups will " -"different high symmetry points depending on the lattice (such as if a > b " -"or a < b) - that is taken into account automatically.

" +"p>

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> <" +"x> <y> <z> where x, y, and z are fractional reciprocal space " +"coordinates. Lines will be drawn connecting these k-points on the graph in " +"the order you put them in. Please note that the orientation of your cell may " +"have an effect on the locations of these reciprocal space points.

If " +"the space group of the crystal has been perceived or set, the special k " +"points will be automatically filled up with the primitive cell high symmetry " +"points for that space group. There are a few space groups will different " +"high symmetry points depending on the lattice (such as if a > b or a < " +"b) - that is taken into account automatically.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) @@ -7594,8 +7604,8 @@ msgid "" msgstr "" "\n" -"\n" @@ -7620,8 +7630,8 @@ msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" -"

Limit the y-range in the plot?

Default: " -"off

" +"

Limit the y-range in the plot?

Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) @@ -7707,6 +7717,16 @@ msgstr "" "odell@googlemail.com,,,,,avogadro-devel@lists.sourceforge.net,bburns@aundae." "com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com" +#~ msgid "" +#~ "The file name contains invalid characters. Please choose another file " +#~ "name." +#~ msgstr "" +#~ "The file name contains invalid characters. Please choose another file " +#~ "name." + +#~ msgid "Other..." +#~ msgstr "Other..." + #~ msgid "Connection failed" #~ msgstr "Connection failed" diff --git a/i18n/en_CA.po b/i18n/en_CA.po index f0562530e8..a3a81d2f7f 100644 --- a/i18n/en_CA.po +++ b/i18n/en_CA.po @@ -10,7 +10,7 @@ msgid "" msgstr "" "Project-Id-Version: _avogadro-en_GB\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-29 02:01+0000\n" +"POT-Creation-Date: 2023-11-19 14:57+0000\n" "PO-Revision-Date: 2023-11-08 19:34+0000\n" "Last-Translator: matterhorn103 \n" "Language-Team: English (United Kingdom)

Number of processor cores to reserve for this job." msgstr "" -"

Number of processor cores to reserve for this " -"job.

" +"

Number of processor cores to reserve for this job." #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) @@ -4986,8 +4996,8 @@ msgid "" "body>" msgstr "" "

Delete remote working files upon job completion. " -"Results will still be copied to the local MoleQueue job cache " -"first.

" +"Results will still be copied to the local MoleQueue job cache first.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) @@ -5032,6 +5042,28 @@ msgstr "Open output when finished:" msgid "Rename Elements" msgstr "Rename Elements" +#. i18n: file: qtgui/insertfragmentdialog.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) +msgid "Insert Fragment…" +msgstr "Insert Fragment…" + +#. i18n: file: qtgui/insertfragmentdialog.ui:22 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Filter:" +msgstr "Filter:" + +#. i18n: file: qtgui/insertfragmentdialog.ui:29 +#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) +msgid "Type a name or part of a name to show only matching files." +msgstr "Type a name or part of a name to show only matching files." + +#. i18n: file: qtgui/insertfragmentdialog.ui:86 +#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) +#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 +#. i18n: ectx: property (text), widget (QPushButton, insertButton) +msgid "Insert" +msgstr "Insert" + #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" @@ -5261,20 +5293,20 @@ msgstr "" "span> - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " -"\"Carbon\")
S - Element symbol (" -"e.g. \"C\" for carbon)
L - Atom " -"label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen)
x - X position coordinate
S - Element symbol " +"(e.g. \"C\" for carbon)
L - " +"Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " +"
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate (" -"crystals only)
b - 'b' lattice " +">a - 'a' lattice coordinate " +"(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " -"'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful for optimization " -"flags
1 - A literal 1 (\"1\"), " -"useful for optimization flags

" +"'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful for " +"optimization flags
1 - A " +"literal 1 (\"1\"), useful for optimization flags

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) @@ -5892,28 +5924,6 @@ msgctxt "double-strand DNA" msgid "Double" msgstr "Double" -#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 -#. i18n: ectx: property (text), widget (QPushButton, insertButton) -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 -#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) -msgid "Insert" -msgstr "Insert" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -msgid "Insert Fragment…" -msgstr "Insert Fragment…" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Filter:" -msgstr "Filter:" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 -#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) -msgid "Type a name or part of a name to show only matching files." -msgstr "Type a name or part of a name to show only matching files." - #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" @@ -7020,8 +7030,8 @@ msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" -"

The broadening of the peak at the base (in " -"degrees).

" +"

The broadening of the peak at the base (in degrees)." #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) @@ -7029,8 +7039,8 @@ msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" -"

The max 2theta value in degrees.

Default: 162." -"00°

" +"

The max 2theta value in degrees.

Default: " +"162.00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) @@ -7038,8 +7048,8 @@ msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" -"

The broadening of the peaks at the base in " -"degrees.

Default: 0.52958°

" +"

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) @@ -7062,8 +7072,8 @@ msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" -"

The wavelength of the x-ray in Ångstroms. " -"

Default: 1.50560 Å

" +"

The wavelength of the x-ray in Ångstroms.

Default: 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) @@ -7071,8 +7081,8 @@ msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" -"

The number of 2theta points to generate.

Default:" -" 1000

" +"

The number of 2theta points to generate.

Default: 1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) @@ -7507,8 +7517,8 @@ msgstr "" "addition, if a density-of-states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density-of-" "states calculation.

If this box is checked, be sure the correct Fermi " -"level is set in the spinbox on the right.

Default: " -"off

" +"level is set in the spinbox on the right.

Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) @@ -7523,8 +7533,8 @@ msgid "" "p>

Default: off

" msgstr "" "

Adjust the energies so that the zero is the Fermi? " -"Only available if we are plotting the Fermi level.


Default:" -" off

" +"Only available if we are plotting the Fermi level.


Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) @@ -7567,16 +7577,16 @@ msgid "" "b) - that is taken into account automatically.

" msgstr "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " -"<x> <y> <z> where x, y, and z are fractional reciprocal " -"space coordinates. Lines will be drawn connecting these k-points on the " -"graph in the order you put them in. Please note that the orientation of your " -"cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " -"special k points will be automatically filled up with the primitive cell " -"high symmetry points for that space group. There are a few space groups will " -"different high symmetry points depending on the lattice (such as if a > b " -"or a < b) - that is taken into account automatically.

" +"p>

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> <" +"x> <y> <z> where x, y, and z are fractional reciprocal space " +"coordinates. Lines will be drawn connecting these k-points on the graph in " +"the order you put them in. Please note that the orientation of your cell may " +"have an effect on the locations of these reciprocal space points.

If " +"the space group of the crystal has been perceived or set, the special k " +"points will be automatically filled up with the primitive cell high symmetry " +"points for that space group. There are a few space groups will different " +"high symmetry points depending on the lattice (such as if a > b or a < " +"b) - that is taken into account automatically.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) @@ -7594,8 +7604,8 @@ msgid "" msgstr "" "\n" -"\n" @@ -7620,8 +7630,8 @@ msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" -"

Limit the y-range in the plot?

Default: " -"off

" +"

Limit the y-range in the plot?

Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) @@ -7707,6 +7717,16 @@ msgstr "" "odell@googlemail.com,,,,,avogadro-devel@lists.sourceforge.net,bburns@aundae." "com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com" +#~ msgid "" +#~ "The file name contains invalid characters. Please choose another file " +#~ "name." +#~ msgstr "" +#~ "The file name contains invalid characters. Please choose another file " +#~ "name." + +#~ msgid "Other..." +#~ msgstr "Other..." + #~ msgid "Connection failed" #~ msgstr "Connection failed" diff --git a/i18n/en_GB.po b/i18n/en_GB.po index f0562530e8..a3a81d2f7f 100644 --- a/i18n/en_GB.po +++ b/i18n/en_GB.po @@ -10,7 +10,7 @@ msgid "" msgstr "" "Project-Id-Version: _avogadro-en_GB\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-29 02:01+0000\n" +"POT-Creation-Date: 2023-11-19 14:57+0000\n" "PO-Revision-Date: 2023-11-08 19:34+0000\n" "Last-Translator: matterhorn103 \n" "Language-Team: English (United Kingdom)

Number of processor cores to reserve for this job." msgstr "" -"

Number of processor cores to reserve for this " -"job.

" +"

Number of processor cores to reserve for this job." #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) @@ -4986,8 +4996,8 @@ msgid "" "body>" msgstr "" "

Delete remote working files upon job completion. " -"Results will still be copied to the local MoleQueue job cache " -"first.

" +"Results will still be copied to the local MoleQueue job cache first.

" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) @@ -5032,6 +5042,28 @@ msgstr "Open output when finished:" msgid "Rename Elements" msgstr "Rename Elements" +#. i18n: file: qtgui/insertfragmentdialog.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) +msgid "Insert Fragment…" +msgstr "Insert Fragment…" + +#. i18n: file: qtgui/insertfragmentdialog.ui:22 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Filter:" +msgstr "Filter:" + +#. i18n: file: qtgui/insertfragmentdialog.ui:29 +#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) +msgid "Type a name or part of a name to show only matching files." +msgstr "Type a name or part of a name to show only matching files." + +#. i18n: file: qtgui/insertfragmentdialog.ui:86 +#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) +#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 +#. i18n: ectx: property (text), widget (QPushButton, insertButton) +msgid "Insert" +msgstr "Insert" + #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" @@ -5261,20 +5293,20 @@ msgstr "" "span> - Atomic number (e.g. \"6\" for carbon)
G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
N - Element name (e.g. " -"\"Carbon\")
S - Element symbol (" -"e.g. \"C\" for carbon)
L - Atom " -"label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen)
x - X position coordinate
S - Element symbol " +"(e.g. \"C\" for carbon)
L - " +"Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " +"
x - X position coordinate
y - Y position coordinate
z - Z position coordinate
a - 'a' lattice coordinate (" -"crystals only)
b - 'b' lattice " +">a - 'a' lattice coordinate " +"(crystals only)
b - 'b' lattice " "coordinate (crystals only)
c - " -"'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful for optimization " -"flags
1 - A literal 1 (\"1\"), " -"useful for optimization flags

" +"'c' lattice coordinate (crystals only)
_ - A literal space (\" \"), useful for alignment
0 - A literal 0 (\"0\"), useful for " +"optimization flags
1 - A " +"literal 1 (\"1\"), useful for optimization flags

" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) @@ -5892,28 +5924,6 @@ msgctxt "double-strand DNA" msgid "Double" msgstr "Double" -#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 -#. i18n: ectx: property (text), widget (QPushButton, insertButton) -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 -#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) -msgid "Insert" -msgstr "Insert" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -msgid "Insert Fragment…" -msgstr "Insert Fragment…" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Filter:" -msgstr "Filter:" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 -#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) -msgid "Type a name or part of a name to show only matching files." -msgstr "Type a name or part of a name to show only matching files." - #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" @@ -7020,8 +7030,8 @@ msgid "" "

The broadening of the peak at the base (in degrees)." msgstr "" -"

The broadening of the peak at the base (in " -"degrees).

" +"

The broadening of the peak at the base (in degrees)." #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) @@ -7029,8 +7039,8 @@ msgid "" "

The max 2theta value in degrees.

Default: " "162.00°

" msgstr "" -"

The max 2theta value in degrees.

Default: 162." -"00°

" +"

The max 2theta value in degrees.

Default: " +"162.00°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) @@ -7038,8 +7048,8 @@ msgid "" "

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" msgstr "" -"

The broadening of the peaks at the base in " -"degrees.

Default: 0.52958°

" +"

The broadening of the peaks at the base in degrees.

Default: 0.52958°

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) @@ -7062,8 +7072,8 @@ msgid "" "

The wavelength of the x-ray in Angstroms.

Default: 1.50560 Å

" msgstr "" -"

The wavelength of the x-ray in Ångstroms. " -"

Default: 1.50560 Å

" +"

The wavelength of the x-ray in Ångstroms.

Default: 1.50560 Å

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) @@ -7071,8 +7081,8 @@ msgid "" "

The number of 2theta points to generate.

Default: 1000

" msgstr "" -"

The number of 2theta points to generate.

Default:" -" 1000

" +"

The number of 2theta points to generate.

Default: 1000

" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) @@ -7507,8 +7517,8 @@ msgstr "" "addition, if a density-of-states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density-of-" "states calculation.

If this box is checked, be sure the correct Fermi " -"level is set in the spinbox on the right.

Default: " -"off

" +"level is set in the spinbox on the right.

Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) @@ -7523,8 +7533,8 @@ msgid "" "p>

Default: off

" msgstr "" "

Adjust the energies so that the zero is the Fermi? " -"Only available if we are plotting the Fermi level.


Default:" -" off

" +"Only available if we are plotting the Fermi level.


Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) @@ -7567,16 +7577,16 @@ msgid "" "b) - that is taken into account automatically.

" msgstr "" "

Enter special k-points as such:

L 0.5 0.5 0.5

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> " -"<x> <y> <z> where x, y, and z are fractional reciprocal " -"space coordinates. Lines will be drawn connecting these k-points on the " -"graph in the order you put them in. Please note that the orientation of your " -"cell may have an effect on the locations of these reciprocal space points.

If the space group of the crystal has been perceived or set, the " -"special k points will be automatically filled up with the primitive cell " -"high symmetry points for that space group. There are a few space groups will " -"different high symmetry points depending on the lattice (such as if a > b " -"or a < b) - that is taken into account automatically.

" +"p>

G 0.0 0.0 0.0

X 0.5 0.0 0.5

That is, <symbol> <" +"x> <y> <z> where x, y, and z are fractional reciprocal space " +"coordinates. Lines will be drawn connecting these k-points on the graph in " +"the order you put them in. Please note that the orientation of your cell may " +"have an effect on the locations of these reciprocal space points.

If " +"the space group of the crystal has been perceived or set, the special k " +"points will be automatically filled up with the primitive cell high symmetry " +"points for that space group. There are a few space groups will different " +"high symmetry points depending on the lattice (such as if a > b or a < " +"b) - that is taken into account automatically.

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) @@ -7594,8 +7604,8 @@ msgid "" msgstr "" "\n" -"\n" @@ -7620,8 +7630,8 @@ msgid "" "

Limit the y-range in the plot?

Default: off

" msgstr "" -"

Limit the y-range in the plot?

Default: " -"off

" +"

Limit the y-range in the plot?

Default: off

" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) @@ -7707,6 +7717,16 @@ msgstr "" "odell@googlemail.com,,,,,avogadro-devel@lists.sourceforge.net,bburns@aundae." "com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com" +#~ msgid "" +#~ "The file name contains invalid characters. Please choose another file " +#~ "name." +#~ msgstr "" +#~ "The file name contains invalid characters. Please choose another file " +#~ "name." + +#~ msgid "Other..." +#~ msgstr "Other..." + #~ msgid "Connection failed" #~ msgstr "Connection failed" diff --git a/i18n/eo.po b/i18n/eo.po index 3ef9bae8b7..a248b92859 100644 --- a/i18n/eo.po +++ b/i18n/eo.po @@ -6,7 +6,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.93.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-29 02:01+0000\n" +"POT-Creation-Date: 2023-11-19 14:57+0000\n" "PO-Revision-Date: 2021-09-26 12:57+0000\n" "Last-Translator: phlostically \n" "Language-Team: Esperanto \n" "Language-Team: Spanish \n" "Language-Team: Estonian \n" @@ -955,65 +955,60 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:48 -msgid "" -"The file name contains invalid characters. Please choose another file name." -msgstr "" - -#: qtgui/fileformatdialog.cpp:60 +#: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:108 +#: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:122 +#: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:171 +#: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:172 +#: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:176 +#: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:177 +#: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:181 +#: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:182 +#: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:187 +#: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:287 +#: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" -#: qtgui/fileformatdialog.cpp:290 +#: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" @@ -1292,7 +1287,7 @@ msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 -#: qtplugins/select/select.cpp:527 +#: qtplugins/select/select.cpp:548 #: qtplugins/selectiontool/selectiontool.cpp:254:1567 msgid "Change Layer" msgstr "" @@ -1312,7 +1307,7 @@ msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) -#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:447 +#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:459 msgid "Adjust Hydrogens" msgstr "" @@ -1576,7 +1571,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) -#: qtplugins/apbs/apbs.h:31:84 +#: qtplugins/apbs/apbs.h:31:96 msgid "APBS" msgstr "" @@ -1639,7 +1634,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) -#: qtplugins/apbs/apbsdialog.cpp:178:144 +#: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" @@ -1766,7 +1761,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:183 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" @@ -1776,7 +1771,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:180 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1786,7 +1781,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" @@ -1796,7 +1791,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:177 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1808,7 +1803,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:186 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1843,7 +1838,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 +#: qtplugins/applycolors/applycolors.cpp:305:171 rc.cpp:1603 #, fuzzy msgid "Colormap:" msgstr "Kohandatud värv:" @@ -2063,7 +2058,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 -#: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 +#: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:381 msgid " Å" msgstr "" @@ -2326,7 +2321,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) -#: qtplugins/copypaste/copypaste.cpp:31:240 +#: qtplugins/copypaste/copypaste.cpp:31:252 msgid "Copy" msgstr "" @@ -2342,13 +2337,13 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) -#: qtplugins/copypaste/copypaste.cpp:34:237 +#: qtplugins/copypaste/copypaste.cpp:34:249 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) -#: qtplugins/copypaste/copypaste.cpp:35:249 +#: qtplugins/copypaste/copypaste.cpp:35:261 msgid "Clear" msgstr "" @@ -2695,6 +2690,14 @@ msgid "Editor tool" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:129 +#: qtplugins/templatetool/templatetoolwidget.cpp:270 +#: qtplugins/templatetool/templatetoolwidget.cpp:283 +#: qtplugins/templatetool/templatetoolwidget.cpp:291 +#: qtplugins/templatetool/templatetoolwidget.cpp:299 +#: qtplugins/templatetool/templatetoolwidget.cpp:307 +#: qtplugins/templatetool/templatetoolwidget.cpp:315 +#: qtplugins/templatetool/templatetoolwidget.cpp:328 +#: qtplugins/templatetool/templatetoolwidget.cpp:390 msgid "Other…" msgstr "" @@ -2819,18 +2822,18 @@ msgstr "Impordi valitud aatomid" msgid "&Calculate" msgstr "Arvuta" -#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:285 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 msgid "Optimize Geometry" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:326 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energia = %L1 %2" -#: qtplugins/forcefield/forcefield.cpp:330 +#: qtplugins/forcefield/forcefield.cpp:327 #: qtplugins/playertool/playertool.cpp:343 #: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 #: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 @@ -3035,7 +3038,7 @@ msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:600 +#: qtplugins/insertdna/insertdna.cpp:168:612 msgid "Thymine" msgstr "" @@ -3075,7 +3078,7 @@ msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) -#: qtplugins/insertfragment/insertfragment.cpp:117:342 +#: qtplugins/insertfragment/insertfragment.cpp:117:354 msgid "Import Crystal" msgstr "" @@ -4302,7 +4305,7 @@ msgstr "" msgid "Select None" msgstr "" -#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:516 +#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:537 msgid "Invert Selection" msgstr "" @@ -4338,11 +4341,11 @@ msgstr "Aatomi number" msgid "Select Water…" msgstr "Aatomi number" -#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:352 +#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:368 msgid "Enlarge Selection" msgstr "" -#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:387 +#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:404 msgid "Shrink Selection" msgstr "" @@ -4364,44 +4367,44 @@ msgstr "" msgid "Select Element" msgstr "Vali jäägi järgi..." -#: qtplugins/select/select.cpp:216 +#: qtplugins/select/select.cpp:217 #, fuzzy msgid "Select Water" msgstr "Aatomi number" -#: qtplugins/select/select.cpp:254 +#: qtplugins/select/select.cpp:266 #, fuzzy msgid "Select Backbone" msgstr "Aatomi number" -#: qtplugins/select/select.cpp:288 +#: qtplugins/select/select.cpp:302 #, fuzzy msgid "Select Sidechain" msgstr "Aatomi number" -#: qtplugins/select/select.cpp:409 +#: qtplugins/select/select.cpp:428 msgid "Select Atoms by Index" msgstr "" -#: qtplugins/select/select.cpp:410 +#: qtplugins/select/select.cpp:429 msgid "Atoms to Select:" msgstr "" -#: qtplugins/select/select.cpp:415 +#: qtplugins/select/select.cpp:434 #, fuzzy #| msgid "Fix Selected Atoms" msgid "Select Atom" msgstr "Paranda valitud aatomid" -#: qtplugins/select/select.cpp:448 +#: qtplugins/select/select.cpp:469 msgid "Select Atoms by Residue" msgstr "" -#: qtplugins/select/select.cpp:449 +#: qtplugins/select/select.cpp:470 msgid "Residues to Select:" msgstr "" -#: qtplugins/select/select.cpp:454 +#: qtplugins/select/select.cpp:475 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" @@ -4755,23 +4758,30 @@ msgstr "" msgid "Template" msgstr "" -#: qtplugins/templatetool/templatetool.cpp:294 +#: qtplugins/templatetool/templatetool.cpp:84 +msgid "" +"Template Tool\n" +"\n" +"Insert fragments, including metal centers.\n" +"Select an element and coordination geometry,then click to insert a " +"fragment.\n" +"\n" +"Select a ligand or functional group and clickon a hydrogen atom to attach it." +msgstr "" + +#: qtplugins/templatetool/templatetool.cpp:302 msgid "Insert Template" msgstr "" -#: qtplugins/templatetool/templatetool.cpp:544 +#: qtplugins/templatetool/templatetool.cpp:559 msgid "Insert Ligand" msgstr "" -#: qtplugins/templatetool/templatetool.h:34 #: qtplugins/templatetool/templatetool.h:35 +#: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" -#: qtplugins/templatetool/templatetoolwidget.cpp:288 -msgid "Other..." -msgstr "" - #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" @@ -4986,6 +4996,28 @@ msgstr "" msgid "Rename Elements" msgstr "" +#. i18n: file: qtgui/insertfragmentdialog.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) +msgid "Insert Fragment…" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:22 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Filter:" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:29 +#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) +msgid "Type a name or part of a name to show only matching files." +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:86 +#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) +#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 +#. i18n: ectx: property (text), widget (QPushButton, insertButton) +msgid "Insert" +msgstr "" + #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" @@ -5846,28 +5878,6 @@ msgctxt "double-strand DNA" msgid "Double" msgstr "" -#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 -#. i18n: ectx: property (text), widget (QPushButton, insertButton) -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 -#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) -msgid "Insert" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -msgid "Insert Fragment…" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Filter:" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 -#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) -msgid "Type a name or part of a name to show only matching files." -msgstr "" - #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" diff --git a/i18n/eu.po b/i18n/eu.po index 7bca672fb8..eb937deb66 100644 --- a/i18n/eu.po +++ b/i18n/eu.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-29 02:01+0000\n" +"POT-Creation-Date: 2023-11-19 14:57+0000\n" "PO-Revision-Date: 2022-06-22 19:15+0000\n" "Last-Translator: Julen Larrucea \n" "Language-Team: Basque \n" "Language-Team: Finnish \n" @@ -956,66 +956,61 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:48 -msgid "" -"The file name contains invalid characters. Please choose another file name." -msgstr "" - -#: qtgui/fileformatdialog.cpp:60 +#: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:108 +#: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:122 +#: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:171 +#: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:172 +#: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:176 +#: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:177 +#: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:181 +#: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:182 +#: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:187 +#: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:287 +#: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Kaikki tiedostot" -#: qtgui/fileformatdialog.cpp:290 +#: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" @@ -1296,7 +1291,7 @@ msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 -#: qtplugins/select/select.cpp:527 +#: qtplugins/select/select.cpp:548 #: qtplugins/selectiontool/selectiontool.cpp:254:1567 #, fuzzy msgid "Change Layer" @@ -1317,7 +1312,7 @@ msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) -#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:447 +#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:459 msgid "Adjust Hydrogens" msgstr "Säädä vetyjä" @@ -1591,7 +1586,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) -#: qtplugins/apbs/apbs.h:31:84 +#: qtplugins/apbs/apbs.h:31:96 msgid "APBS" msgstr "" @@ -1654,7 +1649,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) -#: qtplugins/apbs/apbsdialog.cpp:178:144 +#: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" @@ -1778,7 +1773,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:183 rc.cpp:1615 #, fuzzy #| msgid "Neutral" msgctxt "colormap" @@ -1790,7 +1785,7 @@ msgstr "Neutraali" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:180 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1800,7 +1795,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1812,7 +1807,7 @@ msgstr "Peruuta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:177 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1824,7 +1819,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:186 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1859,7 +1854,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 +#: qtplugins/applycolors/applycolors.cpp:305:171 rc.cpp:1603 #, fuzzy msgid "Colormap:" msgstr "Väri:" @@ -2085,7 +2080,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 -#: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 +#: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:381 msgid " Å" msgstr "" @@ -2354,7 +2349,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) -#: qtplugins/copypaste/copypaste.cpp:31:240 +#: qtplugins/copypaste/copypaste.cpp:31:252 msgid "Copy" msgstr "" @@ -2370,13 +2365,13 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) -#: qtplugins/copypaste/copypaste.cpp:34:237 +#: qtplugins/copypaste/copypaste.cpp:34:249 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) -#: qtplugins/copypaste/copypaste.cpp:35:249 +#: qtplugins/copypaste/copypaste.cpp:35:261 msgid "Clear" msgstr "" @@ -2722,6 +2717,14 @@ msgid "Editor tool" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:129 +#: qtplugins/templatetool/templatetoolwidget.cpp:270 +#: qtplugins/templatetool/templatetoolwidget.cpp:283 +#: qtplugins/templatetool/templatetoolwidget.cpp:291 +#: qtplugins/templatetool/templatetoolwidget.cpp:299 +#: qtplugins/templatetool/templatetoolwidget.cpp:307 +#: qtplugins/templatetool/templatetoolwidget.cpp:315 +#: qtplugins/templatetool/templatetoolwidget.cpp:328 +#: qtplugins/templatetool/templatetoolwidget.cpp:390 #, fuzzy #| msgid "Other..." msgid "Other…" @@ -2853,17 +2856,17 @@ msgstr "Kiinnitä valitut atomit paikoilleen" msgid "&Calculate" msgstr "Laske energia" -#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:285 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 msgid "Optimize Geometry" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:326 #, qt-format msgid "%1 Energy = %L2" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:330 +#: qtplugins/forcefield/forcefield.cpp:327 #: qtplugins/playertool/playertool.cpp:343 #: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 #: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 @@ -3074,7 +3077,7 @@ msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:600 +#: qtplugins/insertdna/insertdna.cpp:168:612 msgid "Thymine" msgstr "" @@ -3116,7 +3119,7 @@ msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) -#: qtplugins/insertfragment/insertfragment.cpp:117:342 +#: qtplugins/insertfragment/insertfragment.cpp:117:354 msgid "Import Crystal" msgstr "" @@ -4358,7 +4361,7 @@ msgstr "" msgid "Select None" msgstr "" -#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:516 +#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:537 msgid "Invert Selection" msgstr "" @@ -4391,13 +4394,13 @@ msgstr "Järjestysluku" msgid "Select Water…" msgstr "Järjestysluku" -#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:352 +#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:368 #, fuzzy #| msgid "Selection" msgid "Enlarge Selection" msgstr "Valinta" -#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:387 +#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:404 #, fuzzy #| msgid "Selection" msgid "Shrink Selection" @@ -4420,44 +4423,44 @@ msgstr "&Valitse" msgid "Select Element" msgstr "Alkuaine:" -#: qtplugins/select/select.cpp:216 +#: qtplugins/select/select.cpp:217 #, fuzzy msgid "Select Water" msgstr "Järjestysluku" -#: qtplugins/select/select.cpp:254 +#: qtplugins/select/select.cpp:266 #, fuzzy msgid "Select Backbone" msgstr "Järjestysluku" -#: qtplugins/select/select.cpp:288 +#: qtplugins/select/select.cpp:302 #, fuzzy msgid "Select Sidechain" msgstr "Järjestysluku" -#: qtplugins/select/select.cpp:409 +#: qtplugins/select/select.cpp:428 msgid "Select Atoms by Index" msgstr "" -#: qtplugins/select/select.cpp:410 +#: qtplugins/select/select.cpp:429 msgid "Atoms to Select:" msgstr "" -#: qtplugins/select/select.cpp:415 +#: qtplugins/select/select.cpp:434 #, fuzzy #| msgid "Fix Selected Atoms" msgid "Select Atom" msgstr "Kiinnitä valitut atomit paikoilleen" -#: qtplugins/select/select.cpp:448 +#: qtplugins/select/select.cpp:469 msgid "Select Atoms by Residue" msgstr "" -#: qtplugins/select/select.cpp:449 +#: qtplugins/select/select.cpp:470 msgid "Residues to Select:" msgstr "" -#: qtplugins/select/select.cpp:454 +#: qtplugins/select/select.cpp:475 #, fuzzy #| msgid "Selection Mode:" msgid "Select Residue" @@ -4815,28 +4818,33 @@ msgstr "" msgid "Template" msgstr "" -#: qtplugins/templatetool/templatetool.cpp:294 +#: qtplugins/templatetool/templatetool.cpp:84 +msgid "" +"Template Tool\n" +"\n" +"Insert fragments, including metal centers.\n" +"Select an element and coordination geometry,then click to insert a " +"fragment.\n" +"\n" +"Select a ligand or functional group and clickon a hydrogen atom to attach it." +msgstr "" + +#: qtplugins/templatetool/templatetool.cpp:302 #, fuzzy #| msgid "Molecule" msgid "Insert Template" msgstr "Molekyyli" -#: qtplugins/templatetool/templatetool.cpp:544 +#: qtplugins/templatetool/templatetool.cpp:559 msgid "Insert Ligand" msgstr "" -#: qtplugins/templatetool/templatetool.h:34 #: qtplugins/templatetool/templatetool.h:35 +#: qtplugins/templatetool/templatetool.h:36 #, fuzzy msgid "Template tool" msgstr "Mittaa" -#: qtplugins/templatetool/templatetoolwidget.cpp:288 -#, fuzzy -#| msgid "Other..." -msgid "Other..." -msgstr "Muu..." - #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" @@ -5052,6 +5060,28 @@ msgstr "" msgid "Rename Elements" msgstr "" +#. i18n: file: qtgui/insertfragmentdialog.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) +msgid "Insert Fragment…" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:22 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Filter:" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:29 +#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) +msgid "Type a name or part of a name to show only matching files." +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:86 +#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) +#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 +#. i18n: ectx: property (text), widget (QPushButton, insertButton) +msgid "Insert" +msgstr "" + #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" @@ -5912,28 +5942,6 @@ msgctxt "double-strand DNA" msgid "Double" msgstr "Kaksoissidos" -#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 -#. i18n: ectx: property (text), widget (QPushButton, insertButton) -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 -#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) -msgid "Insert" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -msgid "Insert Fragment…" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Filter:" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 -#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) -msgid "Type a name or part of a name to show only matching files." -msgstr "" - #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" @@ -7638,6 +7646,11 @@ msgstr "" "sourceforge.net,,,,avogadro-devel@lists.sourceforge.net,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,avogadro-devel@lists.sourceforge.net,," +#, fuzzy +#~| msgid "Other..." +#~ msgid "Other..." +#~ msgstr "Muu..." + #, fuzzy #~ msgid "Filename" #~ msgstr "Tiedoston nimi:" diff --git a/i18n/fr.po b/i18n/fr.po index ac065511f8..df531e8d8a 100644 --- a/i18n/fr.po +++ b/i18n/fr.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: PACKAGE VERSION\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-29 02:01+0000\n" +"POT-Creation-Date: 2023-11-19 14:57+0000\n" "PO-Revision-Date: 2023-11-06 11:35+0000\n" "Last-Translator: research11111 \n" "Language-Team: French \n" "Language-Team: Galician \n" @@ -956,67 +956,62 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:48 -msgid "" -"The file name contains invalid characters. Please choose another file name." -msgstr "" - -#: qtgui/fileformatdialog.cpp:60 +#: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:108 +#: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:122 +#: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:171 +#: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:172 +#: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:176 +#: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:177 +#: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:181 +#: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:182 +#: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:187 +#: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:287 +#: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Todos os ficheiros" -#: qtgui/fileformatdialog.cpp:290 +#: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" @@ -1303,7 +1298,7 @@ msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 -#: qtplugins/select/select.cpp:527 +#: qtplugins/select/select.cpp:548 #: qtplugins/selectiontool/selectiontool.cpp:254:1567 #, fuzzy msgid "Change Layer" @@ -1324,7 +1319,7 @@ msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) -#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:447 +#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:459 msgid "Adjust Hydrogens" msgstr "Axustar os hidróxenos" @@ -1611,7 +1606,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) -#: qtplugins/apbs/apbs.h:31:84 +#: qtplugins/apbs/apbs.h:31:96 msgid "APBS" msgstr "" @@ -1674,7 +1669,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) -#: qtplugins/apbs/apbsdialog.cpp:178:144 +#: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Éxito" @@ -1802,7 +1797,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:183 rc.cpp:1615 #, fuzzy #| msgid "Spectra" msgctxt "colormap" @@ -1814,7 +1809,7 @@ msgstr "Espectros" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:180 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1824,7 +1819,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1836,7 +1831,7 @@ msgstr "Cancelar" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:177 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1848,7 +1843,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:186 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1886,7 +1881,7 @@ msgstr "Cores escollidas" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 +#: qtplugins/applycolors/applycolors.cpp:305:171 rc.cpp:1603 #, fuzzy #| msgid "Color:" msgid "Colormap:" @@ -2123,7 +2118,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 -#: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 +#: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:381 msgid " Å" msgstr " Å" @@ -2398,7 +2393,7 @@ msgstr "Entrada do Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) -#: qtplugins/copypaste/copypaste.cpp:31:240 +#: qtplugins/copypaste/copypaste.cpp:31:252 #, fuzzy msgid "Copy" msgstr "Copiar todo" @@ -2416,13 +2411,13 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) -#: qtplugins/copypaste/copypaste.cpp:34:237 +#: qtplugins/copypaste/copypaste.cpp:34:249 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) -#: qtplugins/copypaste/copypaste.cpp:35:249 +#: qtplugins/copypaste/copypaste.cpp:35:261 #, fuzzy msgid "Clear" msgstr "Limpar todo" @@ -2788,6 +2783,14 @@ msgid "Editor tool" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:129 +#: qtplugins/templatetool/templatetoolwidget.cpp:270 +#: qtplugins/templatetool/templatetoolwidget.cpp:283 +#: qtplugins/templatetool/templatetoolwidget.cpp:291 +#: qtplugins/templatetool/templatetoolwidget.cpp:299 +#: qtplugins/templatetool/templatetoolwidget.cpp:307 +#: qtplugins/templatetool/templatetoolwidget.cpp:315 +#: qtplugins/templatetool/templatetoolwidget.cpp:328 +#: qtplugins/templatetool/templatetoolwidget.cpp:390 #, fuzzy #| msgid "Other" msgid "Other…" @@ -2922,19 +2925,19 @@ msgstr "Fixar os átomos escollidos" msgid "&Calculate" msgstr "Calcular" -#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:285 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 #, fuzzy msgid "Optimize Geometry" msgstr "&Optimizar a xeometría" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:326 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Enerxía = %L1 %2" -#: qtplugins/forcefield/forcefield.cpp:330 +#: qtplugins/forcefield/forcefield.cpp:327 #: qtplugins/playertool/playertool.cpp:343 #: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 #: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 @@ -3155,7 +3158,7 @@ msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:600 +#: qtplugins/insertdna/insertdna.cpp:168:612 msgid "Thymine" msgstr "" @@ -3202,7 +3205,7 @@ msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) -#: qtplugins/insertfragment/insertfragment.cpp:117:342 +#: qtplugins/insertfragment/insertfragment.cpp:117:354 msgid "Import Crystal" msgstr "Importar cristal" @@ -4473,7 +4476,7 @@ msgstr "" msgid "Select None" msgstr "" -#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:516 +#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:537 msgid "Invert Selection" msgstr "" @@ -4509,13 +4512,13 @@ msgstr "Índices atómicos" msgid "Select Water…" msgstr "Índices atómicos" -#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:352 +#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:368 #, fuzzy #| msgid "Ignore Selection" msgid "Enlarge Selection" msgstr "Ignorar a selección" -#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:387 +#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:404 #, fuzzy #| msgid "Selection" msgid "Shrink Selection" @@ -4539,44 +4542,44 @@ msgstr "&Escoller" msgid "Select Element" msgstr "Cor segundo o elemento" -#: qtplugins/select/select.cpp:216 +#: qtplugins/select/select.cpp:217 #, fuzzy msgid "Select Water" msgstr "Índices atómicos" -#: qtplugins/select/select.cpp:254 +#: qtplugins/select/select.cpp:266 #, fuzzy msgid "Select Backbone" msgstr "Índices atómicos" -#: qtplugins/select/select.cpp:288 +#: qtplugins/select/select.cpp:302 #, fuzzy msgid "Select Sidechain" msgstr "Índices atómicos" -#: qtplugins/select/select.cpp:409 +#: qtplugins/select/select.cpp:428 msgid "Select Atoms by Index" msgstr "" -#: qtplugins/select/select.cpp:410 +#: qtplugins/select/select.cpp:429 msgid "Atoms to Select:" msgstr "" -#: qtplugins/select/select.cpp:415 +#: qtplugins/select/select.cpp:434 #, fuzzy #| msgid "Delete Atom" msgid "Select Atom" msgstr "Borrar o átomo" -#: qtplugins/select/select.cpp:448 +#: qtplugins/select/select.cpp:469 msgid "Select Atoms by Residue" msgstr "" -#: qtplugins/select/select.cpp:449 +#: qtplugins/select/select.cpp:470 msgid "Residues to Select:" msgstr "" -#: qtplugins/select/select.cpp:454 +#: qtplugins/select/select.cpp:475 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" @@ -4958,28 +4961,35 @@ msgstr "" msgid "Template" msgstr "Temperatura:" -#: qtplugins/templatetool/templatetool.cpp:294 +#: qtplugins/templatetool/templatetool.cpp:84 +msgid "" +"Template Tool\n" +"\n" +"Insert fragments, including metal centers.\n" +"Select an element and coordination geometry,then click to insert a " +"fragment.\n" +"\n" +"Select a ligand or functional group and clickon a hydrogen atom to attach it." +msgstr "" + +#: qtplugins/templatetool/templatetool.cpp:302 #, fuzzy #| msgid "Insert Peptide" msgid "Insert Template" msgstr "Inserir in péptido" -#: qtplugins/templatetool/templatetool.cpp:544 +#: qtplugins/templatetool/templatetool.cpp:559 #, fuzzy #| msgid "Insert Peptide" msgid "Insert Ligand" msgstr "Inserir in péptido" -#: qtplugins/templatetool/templatetool.h:34 #: qtplugins/templatetool/templatetool.h:35 +#: qtplugins/templatetool/templatetool.h:36 #, fuzzy msgid "Template tool" msgstr "Medir" -#: qtplugins/templatetool/templatetoolwidget.cpp:288 -msgid "Other..." -msgstr "Outro..." - #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" @@ -5201,6 +5211,30 @@ msgstr "" msgid "Rename Elements" msgstr "" +#. i18n: file: qtgui/insertfragmentdialog.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) +#, fuzzy +#| msgid "Insert Fragment" +msgid "Insert Fragment…" +msgstr "Inserir un fragmento" + +#. i18n: file: qtgui/insertfragmentdialog.ui:22 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Filter:" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:29 +#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) +msgid "Type a name or part of a name to show only matching files." +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:86 +#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) +#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 +#. i18n: ectx: property (text), widget (QPushButton, insertButton) +msgid "Insert" +msgstr "" + #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" @@ -6075,30 +6109,6 @@ msgctxt "double-strand DNA" msgid "Double" msgstr "Duplo" -#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 -#. i18n: ectx: property (text), widget (QPushButton, insertButton) -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 -#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) -msgid "Insert" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -#, fuzzy -#| msgid "Insert Fragment" -msgid "Insert Fragment…" -msgstr "Inserir un fragmento" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Filter:" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 -#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) -msgid "Type a name or part of a name to show only matching files." -msgstr "" - #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" @@ -7825,6 +7835,9 @@ msgstr "" ",,mbouzada@gmail.com,,,,mbouzada@gmail.com,,,,mbouzada@gmail.com,,,," "mbouzada@gmail.com,,,,mbouzada@gmail.com," +#~ msgid "Other..." +#~ msgstr "Outro..." + #, fuzzy #~ msgid "Filename" #~ msgstr "Nome do ficheiro:" diff --git a/i18n/he.po b/i18n/he.po index e6272046fe..4632bea261 100644 --- a/i18n/he.po +++ b/i18n/he.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-29 02:01+0000\n" +"POT-Creation-Date: 2023-11-19 14:57+0000\n" "PO-Revision-Date: 2016-06-10 06:32+0000\n" "Last-Translator: Avogadro Team \n" "Language-Team: Hebrew \n" @@ -955,65 +955,60 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:48 -msgid "" -"The file name contains invalid characters. Please choose another file name." -msgstr "" - -#: qtgui/fileformatdialog.cpp:60 +#: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:108 +#: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:122 +#: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:171 +#: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:172 +#: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:176 +#: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:177 +#: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:181 +#: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:182 +#: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:187 +#: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:287 +#: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" -#: qtgui/fileformatdialog.cpp:290 +#: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" @@ -1294,7 +1289,7 @@ msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 -#: qtplugins/select/select.cpp:527 +#: qtplugins/select/select.cpp:548 #: qtplugins/selectiontool/selectiontool.cpp:254:1567 msgid "Change Layer" msgstr "" @@ -1314,7 +1309,7 @@ msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) -#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:447 +#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:459 msgid "Adjust Hydrogens" msgstr "" @@ -1576,7 +1571,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) -#: qtplugins/apbs/apbs.h:31:84 +#: qtplugins/apbs/apbs.h:31:96 msgid "APBS" msgstr "" @@ -1639,7 +1634,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) -#: qtplugins/apbs/apbsdialog.cpp:178:144 +#: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" @@ -1762,7 +1757,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:183 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" @@ -1772,7 +1767,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:180 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1782,7 +1777,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" @@ -1792,7 +1787,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:177 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1804,7 +1799,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:186 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1840,7 +1835,7 @@ msgstr "בחר צבע לתוויות אטומים" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 +#: qtplugins/applycolors/applycolors.cpp:305:171 rc.cpp:1603 msgid "Colormap:" msgstr "" @@ -2059,7 +2054,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 -#: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 +#: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:381 msgid " Å" msgstr "" @@ -2316,7 +2311,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) -#: qtplugins/copypaste/copypaste.cpp:31:240 +#: qtplugins/copypaste/copypaste.cpp:31:252 msgid "Copy" msgstr "" @@ -2332,13 +2327,13 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) -#: qtplugins/copypaste/copypaste.cpp:34:237 +#: qtplugins/copypaste/copypaste.cpp:34:249 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) -#: qtplugins/copypaste/copypaste.cpp:35:249 +#: qtplugins/copypaste/copypaste.cpp:35:261 msgid "Clear" msgstr "" @@ -2682,6 +2677,14 @@ msgid "Editor tool" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:129 +#: qtplugins/templatetool/templatetoolwidget.cpp:270 +#: qtplugins/templatetool/templatetoolwidget.cpp:283 +#: qtplugins/templatetool/templatetoolwidget.cpp:291 +#: qtplugins/templatetool/templatetoolwidget.cpp:299 +#: qtplugins/templatetool/templatetoolwidget.cpp:307 +#: qtplugins/templatetool/templatetoolwidget.cpp:315 +#: qtplugins/templatetool/templatetoolwidget.cpp:328 +#: qtplugins/templatetool/templatetoolwidget.cpp:390 msgid "Other…" msgstr "" @@ -2804,17 +2807,17 @@ msgstr "בחר צבע לתוויות אטומים" msgid "&Calculate" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:285 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 msgid "Optimize Geometry" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:326 #, qt-format msgid "%1 Energy = %L2" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:330 +#: qtplugins/forcefield/forcefield.cpp:327 #: qtplugins/playertool/playertool.cpp:343 #: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 #: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 @@ -3017,7 +3020,7 @@ msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:600 +#: qtplugins/insertdna/insertdna.cpp:168:612 msgid "Thymine" msgstr "" @@ -3057,7 +3060,7 @@ msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) -#: qtplugins/insertfragment/insertfragment.cpp:117:342 +#: qtplugins/insertfragment/insertfragment.cpp:117:354 msgid "Import Crystal" msgstr "" @@ -4244,7 +4247,7 @@ msgstr "" msgid "Select None" msgstr "" -#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:516 +#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:537 msgid "Invert Selection" msgstr "" @@ -4272,11 +4275,11 @@ msgstr "" msgid "Select Water…" msgstr "" -#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:352 +#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:368 msgid "Enlarge Selection" msgstr "" -#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:387 +#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:404 msgid "Shrink Selection" msgstr "" @@ -4298,43 +4301,43 @@ msgstr "" msgid "Select Element" msgstr "בחר צבע לתוויות אטומים" -#: qtplugins/select/select.cpp:216 +#: qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" -#: qtplugins/select/select.cpp:254 +#: qtplugins/select/select.cpp:266 #, fuzzy #| msgid "Select Bond Labels Font" msgid "Select Backbone" msgstr "בחר גופן תוויות קשרים" -#: qtplugins/select/select.cpp:288 +#: qtplugins/select/select.cpp:302 msgid "Select Sidechain" msgstr "" -#: qtplugins/select/select.cpp:409 +#: qtplugins/select/select.cpp:428 msgid "Select Atoms by Index" msgstr "" -#: qtplugins/select/select.cpp:410 +#: qtplugins/select/select.cpp:429 msgid "Atoms to Select:" msgstr "" -#: qtplugins/select/select.cpp:415 +#: qtplugins/select/select.cpp:434 #, fuzzy #| msgid "Select Atom Labels Color" msgid "Select Atom" msgstr "בחר צבע לתוויות אטומים" -#: qtplugins/select/select.cpp:448 +#: qtplugins/select/select.cpp:469 msgid "Select Atoms by Residue" msgstr "" -#: qtplugins/select/select.cpp:449 +#: qtplugins/select/select.cpp:470 msgid "Residues to Select:" msgstr "" -#: qtplugins/select/select.cpp:454 +#: qtplugins/select/select.cpp:475 msgid "Select Residue" msgstr "" @@ -4680,23 +4683,30 @@ msgstr "" msgid "Template" msgstr "" -#: qtplugins/templatetool/templatetool.cpp:294 +#: qtplugins/templatetool/templatetool.cpp:84 +msgid "" +"Template Tool\n" +"\n" +"Insert fragments, including metal centers.\n" +"Select an element and coordination geometry,then click to insert a " +"fragment.\n" +"\n" +"Select a ligand or functional group and clickon a hydrogen atom to attach it." +msgstr "" + +#: qtplugins/templatetool/templatetool.cpp:302 msgid "Insert Template" msgstr "" -#: qtplugins/templatetool/templatetool.cpp:544 +#: qtplugins/templatetool/templatetool.cpp:559 msgid "Insert Ligand" msgstr "" -#: qtplugins/templatetool/templatetool.h:34 #: qtplugins/templatetool/templatetool.h:35 +#: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" -#: qtplugins/templatetool/templatetoolwidget.cpp:288 -msgid "Other..." -msgstr "" - #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" @@ -4911,6 +4921,28 @@ msgstr "" msgid "Rename Elements" msgstr "" +#. i18n: file: qtgui/insertfragmentdialog.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) +msgid "Insert Fragment…" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:22 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Filter:" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:29 +#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) +msgid "Type a name or part of a name to show only matching files." +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:86 +#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) +#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 +#. i18n: ectx: property (text), widget (QPushButton, insertButton) +msgid "Insert" +msgstr "" + #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" @@ -5752,28 +5784,6 @@ msgctxt "double-strand DNA" msgid "Double" msgstr "" -#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 -#. i18n: ectx: property (text), widget (QPushButton, insertButton) -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 -#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) -msgid "Insert" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -msgid "Insert Fragment…" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Filter:" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 -#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) -msgid "Type a name or part of a name to show only matching files." -msgstr "" - #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" diff --git a/i18n/hi.po b/i18n/hi.po index 96460a37c6..68d3b20313 100644 --- a/i18n/hi.po +++ b/i18n/hi.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-29 02:01+0000\n" +"POT-Creation-Date: 2023-11-19 14:57+0000\n" "PO-Revision-Date: 2023-10-31 11:02+0000\n" "Last-Translator: Atharva Kanherkar \n" "Language-Team: Hindi \n" "Language-Team: Croatian \n" "Language-Team: Hungarian \n" "Language-Team: Indonesian \n" "Language-Team: Italian \n" "Language-Team: Japanese \n" "Language-Team: Georgian \n" "Language-Team: Kannada \n" "Language-Team: Korean \n" "Language-Team: Malay \n" "Language-Team: Norwegian Bokmål \n" "Language-Team: Dutch \n" "Language-Team: Occitan (post 1500) \n" @@ -956,66 +956,61 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:48 -msgid "" -"The file name contains invalid characters. Please choose another file name." -msgstr "" - -#: qtgui/fileformatdialog.cpp:60 +#: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:108 +#: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:122 +#: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:171 +#: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:172 +#: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:176 +#: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:177 +#: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:181 +#: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:182 +#: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:187 +#: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:287 +#: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Totes los fichièrs" -#: qtgui/fileformatdialog.cpp:290 +#: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" @@ -1300,7 +1295,7 @@ msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 -#: qtplugins/select/select.cpp:527 +#: qtplugins/select/select.cpp:548 #: qtplugins/selectiontool/selectiontool.cpp:254:1567 #, fuzzy msgid "Change Layer" @@ -1321,7 +1316,7 @@ msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) -#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:447 +#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:459 msgid "Adjust Hydrogens" msgstr "" @@ -1600,7 +1595,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) -#: qtplugins/apbs/apbs.h:31:84 +#: qtplugins/apbs/apbs.h:31:96 msgid "APBS" msgstr "" @@ -1663,7 +1658,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) -#: qtplugins/apbs/apbsdialog.cpp:178:144 +#: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Òsca !" @@ -1789,7 +1784,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:183 rc.cpp:1615 #, fuzzy #| msgid "Neutral" msgctxt "colormap" @@ -1801,7 +1796,7 @@ msgstr "Mejan" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:180 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1811,7 +1806,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1823,7 +1818,7 @@ msgstr "Anullar" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:177 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1835,7 +1830,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:186 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1873,7 +1868,7 @@ msgstr "Causir la color..." #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 +#: qtplugins/applycolors/applycolors.cpp:305:171 rc.cpp:1603 #, fuzzy msgid "Colormap:" msgstr "Colors :" @@ -2106,7 +2101,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 -#: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 +#: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:381 msgid " Å" msgstr "" @@ -2374,7 +2369,7 @@ msgstr "Entrada Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) -#: qtplugins/copypaste/copypaste.cpp:31:240 +#: qtplugins/copypaste/copypaste.cpp:31:252 #, fuzzy msgid "Copy" msgstr "Copiar tot" @@ -2392,13 +2387,13 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) -#: qtplugins/copypaste/copypaste.cpp:34:237 +#: qtplugins/copypaste/copypaste.cpp:34:249 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) -#: qtplugins/copypaste/copypaste.cpp:35:249 +#: qtplugins/copypaste/copypaste.cpp:35:261 #, fuzzy msgid "Clear" msgstr "Escafar tot" @@ -2748,6 +2743,14 @@ msgid "Editor tool" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:129 +#: qtplugins/templatetool/templatetoolwidget.cpp:270 +#: qtplugins/templatetool/templatetoolwidget.cpp:283 +#: qtplugins/templatetool/templatetoolwidget.cpp:291 +#: qtplugins/templatetool/templatetoolwidget.cpp:299 +#: qtplugins/templatetool/templatetoolwidget.cpp:307 +#: qtplugins/templatetool/templatetoolwidget.cpp:315 +#: qtplugins/templatetool/templatetoolwidget.cpp:328 +#: qtplugins/templatetool/templatetoolwidget.cpp:390 #, fuzzy #| msgid "Other" msgid "Other…" @@ -2880,18 +2883,18 @@ msgstr "Suprimir un atòm" msgid "&Calculate" msgstr "Calcular" -#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:285 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 msgid "Optimize Geometry" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:326 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energia = %L1 %2" -#: qtplugins/forcefield/forcefield.cpp:330 +#: qtplugins/forcefield/forcefield.cpp:327 #: qtplugins/playertool/playertool.cpp:343 #: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 #: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 @@ -3108,7 +3111,7 @@ msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:600 +#: qtplugins/insertdna/insertdna.cpp:168:612 msgid "Thymine" msgstr "" @@ -3154,7 +3157,7 @@ msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) -#: qtplugins/insertfragment/insertfragment.cpp:117:342 +#: qtplugins/insertfragment/insertfragment.cpp:117:354 msgid "Import Crystal" msgstr "" @@ -4406,7 +4409,7 @@ msgstr "" msgid "Select None" msgstr "" -#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:516 +#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:537 msgid "Invert Selection" msgstr "" @@ -4442,13 +4445,13 @@ msgstr "Numèro de l'atòm" msgid "Select Water…" msgstr "Numèro de l'atòm" -#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:352 +#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:368 #, fuzzy #| msgid "Ignore Selection" msgid "Enlarge Selection" msgstr "Ignorar la seleccion" -#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:387 +#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:404 #, fuzzy #| msgid "Selection" msgid "Shrink Selection" @@ -4472,44 +4475,44 @@ msgstr "&Seleccionar" msgid "Select Element" msgstr "Coloriar segon l'element" -#: qtplugins/select/select.cpp:216 +#: qtplugins/select/select.cpp:217 #, fuzzy msgid "Select Water" msgstr "Numèro de l'atòm" -#: qtplugins/select/select.cpp:254 +#: qtplugins/select/select.cpp:266 #, fuzzy msgid "Select Backbone" msgstr "Numèro de l'atòm" -#: qtplugins/select/select.cpp:288 +#: qtplugins/select/select.cpp:302 #, fuzzy msgid "Select Sidechain" msgstr "Numèro de l'atòm" -#: qtplugins/select/select.cpp:409 +#: qtplugins/select/select.cpp:428 msgid "Select Atoms by Index" msgstr "" -#: qtplugins/select/select.cpp:410 +#: qtplugins/select/select.cpp:429 msgid "Atoms to Select:" msgstr "" -#: qtplugins/select/select.cpp:415 +#: qtplugins/select/select.cpp:434 #, fuzzy #| msgid "Delete Atom" msgid "Select Atom" msgstr "Suprimir un atòm" -#: qtplugins/select/select.cpp:448 +#: qtplugins/select/select.cpp:469 msgid "Select Atoms by Residue" msgstr "" -#: qtplugins/select/select.cpp:449 +#: qtplugins/select/select.cpp:470 msgid "Residues to Select:" msgstr "" -#: qtplugins/select/select.cpp:454 +#: qtplugins/select/select.cpp:475 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" @@ -4872,28 +4875,35 @@ msgstr "" msgid "Template" msgstr "Temperatura :" -#: qtplugins/templatetool/templatetool.cpp:294 +#: qtplugins/templatetool/templatetool.cpp:84 +msgid "" +"Template Tool\n" +"\n" +"Insert fragments, including metal centers.\n" +"Select an element and coordination geometry,then click to insert a " +"fragment.\n" +"\n" +"Select a ligand or functional group and clickon a hydrogen atom to attach it." +msgstr "" + +#: qtplugins/templatetool/templatetool.cpp:302 #, fuzzy #| msgid "Molecule" msgid "Insert Template" msgstr "Molecula" -#: qtplugins/templatetool/templatetool.cpp:544 +#: qtplugins/templatetool/templatetool.cpp:559 #, fuzzy #| msgid "Insert Fragment" msgid "Insert Ligand" msgstr "Inserir un fragment" -#: qtplugins/templatetool/templatetool.h:34 #: qtplugins/templatetool/templatetool.h:35 +#: qtplugins/templatetool/templatetool.h:36 #, fuzzy msgid "Template tool" msgstr "Mesurar" -#: qtplugins/templatetool/templatetoolwidget.cpp:288 -msgid "Other..." -msgstr "Autres..." - #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" @@ -5110,6 +5120,30 @@ msgstr "" msgid "Rename Elements" msgstr "" +#. i18n: file: qtgui/insertfragmentdialog.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) +#, fuzzy +#| msgid "Insert Fragment" +msgid "Insert Fragment…" +msgstr "Inserir un fragment" + +#. i18n: file: qtgui/insertfragmentdialog.ui:22 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Filter:" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:29 +#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) +msgid "Type a name or part of a name to show only matching files." +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:86 +#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) +#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 +#. i18n: ectx: property (text), widget (QPushButton, insertButton) +msgid "Insert" +msgstr "" + #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" @@ -5977,30 +6011,6 @@ msgctxt "double-strand DNA" msgid "Double" msgstr "Doble" -#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 -#. i18n: ectx: property (text), widget (QPushButton, insertButton) -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 -#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) -msgid "Insert" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -#, fuzzy -#| msgid "Insert Fragment" -msgid "Insert Fragment…" -msgstr "Inserir un fragment" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Filter:" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 -#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) -msgid "Type a name or part of a name to show only matching files." -msgstr "" - #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" @@ -7726,6 +7736,9 @@ msgstr "" "avogadro-devel@lists.sourceforge.net,cvalmary@yahoo.fr,,,avogadro-" "devel@lists.sourceforge.net,cvalmary@yahoo.fr" +#~ msgid "Other..." +#~ msgstr "Autres..." + #, fuzzy #~ msgid "Filename" #~ msgstr "Nom de fichièr :" diff --git a/i18n/pl.po b/i18n/pl.po index e238aa59e2..1a506852d9 100644 --- a/i18n/pl.po +++ b/i18n/pl.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-29 02:01+0000\n" +"POT-Creation-Date: 2023-11-19 14:57+0000\n" "PO-Revision-Date: 2023-06-20 10:49+0000\n" "Last-Translator: Jakub Brzeski \n" "Language-Team: Polish \n" "Language-Team: Portuguese \n" "Language-Team: Portuguese (Brazil) \n" "Language-Team: Romanian \n" "Language-Team: Russian \n" "Language-Team: Sanskrit \n" "Language-Team: Slovak \n" @@ -955,67 +955,62 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:48 -msgid "" -"The file name contains invalid characters. Please choose another file name." -msgstr "" - -#: qtgui/fileformatdialog.cpp:60 +#: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:108 +#: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:122 +#: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:171 +#: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:172 +#: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:176 +#: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:177 +#: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:181 +#: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:182 +#: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:187 +#: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:287 +#: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Všetky súbory" -#: qtgui/fileformatdialog.cpp:290 +#: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" @@ -1299,7 +1294,7 @@ msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 -#: qtplugins/select/select.cpp:527 +#: qtplugins/select/select.cpp:548 #: qtplugins/selectiontool/selectiontool.cpp:254:1567 #, fuzzy msgid "Change Layer" @@ -1320,7 +1315,7 @@ msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) -#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:447 +#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:459 msgid "Adjust Hydrogens" msgstr "Upravte Vodíky" @@ -1595,7 +1590,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) -#: qtplugins/apbs/apbs.h:31:84 +#: qtplugins/apbs/apbs.h:31:96 msgid "APBS" msgstr "" @@ -1658,7 +1653,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) -#: qtplugins/apbs/apbsdialog.cpp:178:144 +#: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Úspešné!" @@ -1784,7 +1779,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:183 rc.cpp:1615 #, fuzzy #| msgid "Neutral" msgctxt "colormap" @@ -1796,7 +1791,7 @@ msgstr "Neutrálny" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:180 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1806,7 +1801,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1818,7 +1813,7 @@ msgstr "Zrušiť" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:177 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1830,7 +1825,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:186 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1868,7 +1863,7 @@ msgstr "Vybrané Farby" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 +#: qtplugins/applycolors/applycolors.cpp:305:171 rc.cpp:1603 #, fuzzy msgid "Colormap:" msgstr "Farby:" @@ -2099,7 +2094,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 -#: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 +#: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:381 msgid " Å" msgstr "" @@ -2372,7 +2367,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) -#: qtplugins/copypaste/copypaste.cpp:31:240 +#: qtplugins/copypaste/copypaste.cpp:31:252 msgid "Copy" msgstr "" @@ -2389,13 +2384,13 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) -#: qtplugins/copypaste/copypaste.cpp:34:237 +#: qtplugins/copypaste/copypaste.cpp:34:249 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) -#: qtplugins/copypaste/copypaste.cpp:35:249 +#: qtplugins/copypaste/copypaste.cpp:35:261 msgid "Clear" msgstr "" @@ -2742,6 +2737,14 @@ msgid "Editor tool" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:129 +#: qtplugins/templatetool/templatetoolwidget.cpp:270 +#: qtplugins/templatetool/templatetoolwidget.cpp:283 +#: qtplugins/templatetool/templatetoolwidget.cpp:291 +#: qtplugins/templatetool/templatetoolwidget.cpp:299 +#: qtplugins/templatetool/templatetoolwidget.cpp:307 +#: qtplugins/templatetool/templatetoolwidget.cpp:315 +#: qtplugins/templatetool/templatetoolwidget.cpp:328 +#: qtplugins/templatetool/templatetoolwidget.cpp:390 #, fuzzy #| msgid "Other..." msgid "Other…" @@ -2874,17 +2877,17 @@ msgstr "Fixovať vybrané atómy" msgid "&Calculate" msgstr "Vypočítať" -#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:285 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 msgid "Optimize Geometry" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:326 #, qt-format msgid "%1 Energy = %L2" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:330 +#: qtplugins/forcefield/forcefield.cpp:327 #: qtplugins/playertool/playertool.cpp:343 #: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 #: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 @@ -3102,7 +3105,7 @@ msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:600 +#: qtplugins/insertdna/insertdna.cpp:168:612 msgid "Thymine" msgstr "" @@ -3148,7 +3151,7 @@ msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) -#: qtplugins/insertfragment/insertfragment.cpp:117:342 +#: qtplugins/insertfragment/insertfragment.cpp:117:354 msgid "Import Crystal" msgstr "" @@ -4404,7 +4407,7 @@ msgstr "" msgid "Select None" msgstr "" -#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:516 +#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:537 msgid "Invert Selection" msgstr "" @@ -4440,13 +4443,13 @@ msgstr "Atómové číslo" msgid "Select Water…" msgstr "Atómové číslo" -#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:352 +#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:368 #, fuzzy #| msgid "Ignore Selection" msgid "Enlarge Selection" msgstr "Ignorovať výber" -#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:387 +#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:404 #, fuzzy #| msgid "Selection" msgid "Shrink Selection" @@ -4470,44 +4473,44 @@ msgstr "&Výber" msgid "Select Element" msgstr "Vybrať podľa Zvyšku..." -#: qtplugins/select/select.cpp:216 +#: qtplugins/select/select.cpp:217 #, fuzzy msgid "Select Water" msgstr "Atómové číslo" -#: qtplugins/select/select.cpp:254 +#: qtplugins/select/select.cpp:266 #, fuzzy msgid "Select Backbone" msgstr "Atómové číslo" -#: qtplugins/select/select.cpp:288 +#: qtplugins/select/select.cpp:302 #, fuzzy msgid "Select Sidechain" msgstr "Atómové číslo" -#: qtplugins/select/select.cpp:409 +#: qtplugins/select/select.cpp:428 msgid "Select Atoms by Index" msgstr "" -#: qtplugins/select/select.cpp:410 +#: qtplugins/select/select.cpp:429 msgid "Atoms to Select:" msgstr "" -#: qtplugins/select/select.cpp:415 +#: qtplugins/select/select.cpp:434 #, fuzzy #| msgid "Delete Atom" msgid "Select Atom" msgstr "Odstrániť Atóm" -#: qtplugins/select/select.cpp:448 +#: qtplugins/select/select.cpp:469 msgid "Select Atoms by Residue" msgstr "" -#: qtplugins/select/select.cpp:449 +#: qtplugins/select/select.cpp:470 msgid "Residues to Select:" msgstr "" -#: qtplugins/select/select.cpp:454 +#: qtplugins/select/select.cpp:475 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" @@ -4870,30 +4873,35 @@ msgstr "" msgid "Template" msgstr "" -#: qtplugins/templatetool/templatetool.cpp:294 +#: qtplugins/templatetool/templatetool.cpp:84 +msgid "" +"Template Tool\n" +"\n" +"Insert fragments, including metal centers.\n" +"Select an element and coordination geometry,then click to insert a " +"fragment.\n" +"\n" +"Select a ligand or functional group and clickon a hydrogen atom to attach it." +msgstr "" + +#: qtplugins/templatetool/templatetool.cpp:302 #, fuzzy #| msgid "Insert Peptide" msgid "Insert Template" msgstr "Vložiť peptid" -#: qtplugins/templatetool/templatetool.cpp:544 +#: qtplugins/templatetool/templatetool.cpp:559 #, fuzzy #| msgid "Insert Peptide" msgid "Insert Ligand" msgstr "Vložiť peptid" -#: qtplugins/templatetool/templatetool.h:34 #: qtplugins/templatetool/templatetool.h:35 +#: qtplugins/templatetool/templatetool.h:36 #, fuzzy msgid "Template tool" msgstr "Rozsah" -#: qtplugins/templatetool/templatetoolwidget.cpp:288 -#, fuzzy -#| msgid "Other..." -msgid "Other..." -msgstr "Ďaľšie..." - #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" @@ -5110,6 +5118,30 @@ msgstr "" msgid "Rename Elements" msgstr "" +#. i18n: file: qtgui/insertfragmentdialog.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) +#, fuzzy +#| msgid "Insert Fragment" +msgid "Insert Fragment…" +msgstr "Vložiť fragment" + +#. i18n: file: qtgui/insertfragmentdialog.ui:22 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Filter:" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:29 +#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) +msgid "Type a name or part of a name to show only matching files." +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:86 +#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) +#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 +#. i18n: ectx: property (text), widget (QPushButton, insertButton) +msgid "Insert" +msgstr "" + #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" @@ -5971,30 +6003,6 @@ msgctxt "double-strand DNA" msgid "Double" msgstr "Dvojitý" -#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 -#. i18n: ectx: property (text), widget (QPushButton, insertButton) -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 -#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) -msgid "Insert" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -#, fuzzy -#| msgid "Insert Fragment" -msgid "Insert Fragment…" -msgstr "Vložiť fragment" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Filter:" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 -#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) -msgid "Type a name or part of a name to show only matching files." -msgstr "" - #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" @@ -7707,6 +7715,11 @@ msgstr "" "com,,,,avogadro-devel@lists.sourceforge.net,,,rayiner@protonmail.com,,,," "avogadro-devel@lists.sourceforge.net,,,rayiner@protonmail.com," +#, fuzzy +#~| msgid "Other..." +#~ msgid "Other..." +#~ msgstr "Ďaľšie..." + #, fuzzy #~ msgid "Filename" #~ msgstr "Nesprávny názov súboru" diff --git a/i18n/sl.po b/i18n/sl.po index 81a51bc73e..187058748d 100644 --- a/i18n/sl.po +++ b/i18n/sl.po @@ -8,7 +8,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-29 02:01+0000\n" +"POT-Creation-Date: 2023-11-19 14:57+0000\n" "PO-Revision-Date: 2016-06-10 06:51+0000\n" "Last-Translator: Matej Urbančič \n" "Language-Team: Slovenian \n" @@ -960,67 +960,62 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:48 -msgid "" -"The file name contains invalid characters. Please choose another file name." -msgstr "" - -#: qtgui/fileformatdialog.cpp:60 +#: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:108 +#: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:122 +#: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:171 +#: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:172 +#: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:176 +#: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:177 +#: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:181 +#: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:182 +#: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:187 +#: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:287 +#: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Vse Datoteke" -#: qtgui/fileformatdialog.cpp:290 +#: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" @@ -1307,7 +1302,7 @@ msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 -#: qtplugins/select/select.cpp:527 +#: qtplugins/select/select.cpp:548 #: qtplugins/selectiontool/selectiontool.cpp:254:1567 #, fuzzy msgid "Change Layer" @@ -1328,7 +1323,7 @@ msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) -#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:447 +#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:459 msgid "Adjust Hydrogens" msgstr "Samodejno dodaj vodike" @@ -1623,7 +1618,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) -#: qtplugins/apbs/apbs.h:31:84 +#: qtplugins/apbs/apbs.h:31:96 msgid "APBS" msgstr "" @@ -1686,7 +1681,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) -#: qtplugins/apbs/apbsdialog.cpp:178:144 +#: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Uspešno končano!" @@ -1814,7 +1809,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:183 rc.cpp:1615 #, fuzzy #| msgid "Spectra" msgctxt "colormap" @@ -1826,7 +1821,7 @@ msgstr "Spektri" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:180 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1836,7 +1831,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1606 #, fuzzy #| msgid "Cancel" msgctxt "colormap" @@ -1848,7 +1843,7 @@ msgstr "Prekliči" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:177 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1860,7 +1855,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:186 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1898,7 +1893,7 @@ msgstr "Izbrane barve" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 +#: qtplugins/applycolors/applycolors.cpp:305:171 rc.cpp:1603 #, fuzzy #| msgid "Color:" msgid "Colormap:" @@ -2155,7 +2150,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 -#: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 +#: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:381 msgid " Å" msgstr " Å" @@ -2430,7 +2425,7 @@ msgstr "Skript Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) -#: qtplugins/copypaste/copypaste.cpp:31:240 +#: qtplugins/copypaste/copypaste.cpp:31:252 #, fuzzy msgid "Copy" msgstr "Kopiraj vse" @@ -2448,13 +2443,13 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) -#: qtplugins/copypaste/copypaste.cpp:34:237 +#: qtplugins/copypaste/copypaste.cpp:34:249 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) -#: qtplugins/copypaste/copypaste.cpp:35:249 +#: qtplugins/copypaste/copypaste.cpp:35:261 #, fuzzy msgid "Clear" msgstr "Počisti vse" @@ -2831,6 +2826,14 @@ msgid "Editor tool" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:129 +#: qtplugins/templatetool/templatetoolwidget.cpp:270 +#: qtplugins/templatetool/templatetoolwidget.cpp:283 +#: qtplugins/templatetool/templatetoolwidget.cpp:291 +#: qtplugins/templatetool/templatetoolwidget.cpp:299 +#: qtplugins/templatetool/templatetoolwidget.cpp:307 +#: qtplugins/templatetool/templatetoolwidget.cpp:315 +#: qtplugins/templatetool/templatetoolwidget.cpp:328 +#: qtplugins/templatetool/templatetoolwidget.cpp:390 #, fuzzy #| msgid "Other" msgid "Other…" @@ -2966,19 +2969,19 @@ msgstr "Popravi izbrane atome" msgid "&Calculate" msgstr "Izračunaj" -#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:285 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 #, fuzzy msgid "Optimize Geometry" msgstr "&Prilagodi geometrijo" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:326 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energija = %L1 %2" -#: qtplugins/forcefield/forcefield.cpp:330 +#: qtplugins/forcefield/forcefield.cpp:327 #: qtplugins/playertool/playertool.cpp:343 #: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 #: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 @@ -3196,7 +3199,7 @@ msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:600 +#: qtplugins/insertdna/insertdna.cpp:168:612 msgid "Thymine" msgstr "Timin" @@ -3243,7 +3246,7 @@ msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) -#: qtplugins/insertfragment/insertfragment.cpp:117:342 +#: qtplugins/insertfragment/insertfragment.cpp:117:354 msgid "Import Crystal" msgstr "Uvozi kristal" @@ -4555,7 +4558,7 @@ msgstr "" msgid "Select None" msgstr "" -#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:516 +#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:537 msgid "Invert Selection" msgstr "" @@ -4591,13 +4594,13 @@ msgstr "Atomski indeksi" msgid "Select Water…" msgstr "Atomski indeksi" -#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:352 +#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:368 #, fuzzy #| msgid "Ignore Selection" msgid "Enlarge Selection" msgstr "Prezri izbor" -#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:387 +#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:404 #, fuzzy #| msgid "Selection" msgid "Shrink Selection" @@ -4621,44 +4624,44 @@ msgstr "&Izberi" msgid "Select Element" msgstr "Izbor po elementu ..." -#: qtplugins/select/select.cpp:216 +#: qtplugins/select/select.cpp:217 #, fuzzy msgid "Select Water" msgstr "Atomski indeksi" -#: qtplugins/select/select.cpp:254 +#: qtplugins/select/select.cpp:266 #, fuzzy msgid "Select Backbone" msgstr "Atomski indeksi" -#: qtplugins/select/select.cpp:288 +#: qtplugins/select/select.cpp:302 #, fuzzy msgid "Select Sidechain" msgstr "Atomski indeksi" -#: qtplugins/select/select.cpp:409 +#: qtplugins/select/select.cpp:428 msgid "Select Atoms by Index" msgstr "" -#: qtplugins/select/select.cpp:410 +#: qtplugins/select/select.cpp:429 msgid "Atoms to Select:" msgstr "" -#: qtplugins/select/select.cpp:415 +#: qtplugins/select/select.cpp:434 #, fuzzy #| msgid "Delete Atom" msgid "Select Atom" msgstr "Izbriši atom" -#: qtplugins/select/select.cpp:448 +#: qtplugins/select/select.cpp:469 msgid "Select Atoms by Residue" msgstr "" -#: qtplugins/select/select.cpp:449 +#: qtplugins/select/select.cpp:470 msgid "Residues to Select:" msgstr "" -#: qtplugins/select/select.cpp:454 +#: qtplugins/select/select.cpp:475 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" @@ -5064,28 +5067,35 @@ msgstr "" msgid "Template" msgstr "Temperatura" -#: qtplugins/templatetool/templatetool.cpp:294 +#: qtplugins/templatetool/templatetool.cpp:84 +msgid "" +"Template Tool\n" +"\n" +"Insert fragments, including metal centers.\n" +"Select an element and coordination geometry,then click to insert a " +"fragment.\n" +"\n" +"Select a ligand or functional group and clickon a hydrogen atom to attach it." +msgstr "" + +#: qtplugins/templatetool/templatetool.cpp:302 #, fuzzy #| msgid "Insert Peptide" msgid "Insert Template" msgstr "Vstavi peptid" -#: qtplugins/templatetool/templatetool.cpp:544 +#: qtplugins/templatetool/templatetool.cpp:559 #, fuzzy #| msgid "Insert Peptide" msgid "Insert Ligand" msgstr "Vstavi peptid" -#: qtplugins/templatetool/templatetool.h:34 #: qtplugins/templatetool/templatetool.h:35 +#: qtplugins/templatetool/templatetool.h:36 #, fuzzy msgid "Template tool" msgstr "Izmeri" -#: qtplugins/templatetool/templatetoolwidget.cpp:288 -msgid "Other..." -msgstr "Drugo ..." - #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" @@ -5307,6 +5317,30 @@ msgstr "" msgid "Rename Elements" msgstr "" +#. i18n: file: qtgui/insertfragmentdialog.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) +#, fuzzy +#| msgid "Insert Fragment" +msgid "Insert Fragment…" +msgstr "Vstavi molekulski delec" + +#. i18n: file: qtgui/insertfragmentdialog.ui:22 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Filter:" +msgstr "Filter:" + +#. i18n: file: qtgui/insertfragmentdialog.ui:29 +#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) +msgid "Type a name or part of a name to show only matching files." +msgstr "Z vpisom imena ali dela imena se pokažejo filtrirani zadetki." + +#. i18n: file: qtgui/insertfragmentdialog.ui:86 +#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) +#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 +#. i18n: ectx: property (text), widget (QPushButton, insertButton) +msgid "Insert" +msgstr "Vstavi" + #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" @@ -6167,30 +6201,6 @@ msgctxt "double-strand DNA" msgid "Double" msgstr "Dvojna" -#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 -#. i18n: ectx: property (text), widget (QPushButton, insertButton) -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 -#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) -msgid "Insert" -msgstr "Vstavi" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -#, fuzzy -#| msgid "Insert Fragment" -msgid "Insert Fragment…" -msgstr "Vstavi molekulski delec" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Filter:" -msgstr "Filter:" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 -#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) -msgid "Type a name or part of a name to show only matching files." -msgstr "Z vpisom imena ali dela imena se pokažejo filtrirani zadetki." - #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" @@ -7908,6 +7918,9 @@ msgstr "" ",,,mateju@svn.gnome.org,,,,mateju@svn.gnome.org,,,,mateju@svn.gnome.org,,,," "mateju@svn.gnome.org" +#~ msgid "Other..." +#~ msgstr "Drugo ..." + #, fuzzy #~ msgid "Filename" #~ msgstr "Ime datoteke:" diff --git a/i18n/sq.po b/i18n/sq.po index 2b9fd4365d..569ff7cb1b 100644 --- a/i18n/sq.po +++ b/i18n/sq.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-29 02:01+0000\n" +"POT-Creation-Date: 2023-11-19 14:57+0000\n" "PO-Revision-Date: 2021-06-16 17:34+0000\n" "Last-Translator: Dillon Schultz \n" "Language-Team: Albanian \n" "Language-Team: Serbian \n" "Language-Team: Swedish \n" @@ -955,65 +955,60 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:48 -msgid "" -"The file name contains invalid characters. Please choose another file name." -msgstr "" - -#: qtgui/fileformatdialog.cpp:60 +#: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:108 +#: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:122 +#: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:171 +#: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:172 +#: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:176 +#: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:177 +#: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:181 +#: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:182 +#: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:187 +#: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:287 +#: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" -#: qtgui/fileformatdialog.cpp:290 +#: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" @@ -1294,7 +1289,7 @@ msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 -#: qtplugins/select/select.cpp:527 +#: qtplugins/select/select.cpp:548 #: qtplugins/selectiontool/selectiontool.cpp:254:1567 msgid "Change Layer" msgstr "" @@ -1314,7 +1309,7 @@ msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) -#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:447 +#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:459 msgid "Adjust Hydrogens" msgstr "" @@ -1582,7 +1577,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) -#: qtplugins/apbs/apbs.h:31:84 +#: qtplugins/apbs/apbs.h:31:96 msgid "APBS" msgstr "" @@ -1645,7 +1640,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) -#: qtplugins/apbs/apbsdialog.cpp:178:144 +#: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" @@ -1769,7 +1764,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:183 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" @@ -1779,7 +1774,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:180 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1789,7 +1784,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" @@ -1799,7 +1794,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:177 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1811,7 +1806,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:186 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1846,7 +1841,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 +#: qtplugins/applycolors/applycolors.cpp:305:171 rc.cpp:1603 #, fuzzy msgid "Colormap:" msgstr "Rita atom" @@ -2067,7 +2062,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 -#: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 +#: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:381 msgid " Å" msgstr "" @@ -2325,7 +2320,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) -#: qtplugins/copypaste/copypaste.cpp:31:240 +#: qtplugins/copypaste/copypaste.cpp:31:252 msgid "Copy" msgstr "" @@ -2342,13 +2337,13 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) -#: qtplugins/copypaste/copypaste.cpp:34:237 +#: qtplugins/copypaste/copypaste.cpp:34:249 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) -#: qtplugins/copypaste/copypaste.cpp:35:249 +#: qtplugins/copypaste/copypaste.cpp:35:261 msgid "Clear" msgstr "" @@ -2695,6 +2690,14 @@ msgid "Editor tool" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:129 +#: qtplugins/templatetool/templatetoolwidget.cpp:270 +#: qtplugins/templatetool/templatetoolwidget.cpp:283 +#: qtplugins/templatetool/templatetoolwidget.cpp:291 +#: qtplugins/templatetool/templatetoolwidget.cpp:299 +#: qtplugins/templatetool/templatetoolwidget.cpp:307 +#: qtplugins/templatetool/templatetoolwidget.cpp:315 +#: qtplugins/templatetool/templatetoolwidget.cpp:328 +#: qtplugins/templatetool/templatetoolwidget.cpp:390 msgid "Other…" msgstr "" @@ -2818,18 +2821,18 @@ msgstr "Animering..." msgid "&Calculate" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:285 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 #, fuzzy msgid "Optimize Geometry" msgstr "&Optimera geometri" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:326 #, qt-format msgid "%1 Energy = %L2" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:330 +#: qtplugins/forcefield/forcefield.cpp:327 #: qtplugins/playertool/playertool.cpp:343 #: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 #: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 @@ -3039,7 +3042,7 @@ msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:600 +#: qtplugins/insertdna/insertdna.cpp:168:612 msgid "Thymine" msgstr "" @@ -3082,7 +3085,7 @@ msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) -#: qtplugins/insertfragment/insertfragment.cpp:117:342 +#: qtplugins/insertfragment/insertfragment.cpp:117:354 msgid "Import Crystal" msgstr "" @@ -4313,7 +4316,7 @@ msgstr "" msgid "Select None" msgstr "" -#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:516 +#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:537 msgid "Invert Selection" msgstr "" @@ -4345,11 +4348,11 @@ msgstr "Gundämne:" msgid "Select Water…" msgstr "Gundämne:" -#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:352 +#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:368 msgid "Enlarge Selection" msgstr "" -#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:387 +#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:404 msgid "Shrink Selection" msgstr "" @@ -4370,43 +4373,43 @@ msgstr "" msgid "Select Element" msgstr "Gundämne:" -#: qtplugins/select/select.cpp:216 +#: qtplugins/select/select.cpp:217 #, fuzzy msgid "Select Water" msgstr "Gundämne:" -#: qtplugins/select/select.cpp:254 +#: qtplugins/select/select.cpp:266 #, fuzzy msgid "Select Backbone" msgstr "Gundämne:" -#: qtplugins/select/select.cpp:288 +#: qtplugins/select/select.cpp:302 #, fuzzy msgid "Select Sidechain" msgstr "Gundämne:" -#: qtplugins/select/select.cpp:409 +#: qtplugins/select/select.cpp:428 msgid "Select Atoms by Index" msgstr "" -#: qtplugins/select/select.cpp:410 +#: qtplugins/select/select.cpp:429 msgid "Atoms to Select:" msgstr "" -#: qtplugins/select/select.cpp:415 +#: qtplugins/select/select.cpp:434 #, fuzzy msgid "Select Atom" msgstr "Animering..." -#: qtplugins/select/select.cpp:448 +#: qtplugins/select/select.cpp:469 msgid "Select Atoms by Residue" msgstr "" -#: qtplugins/select/select.cpp:449 +#: qtplugins/select/select.cpp:470 msgid "Residues to Select:" msgstr "" -#: qtplugins/select/select.cpp:454 +#: qtplugins/select/select.cpp:475 msgid "Select Residue" msgstr "" @@ -4756,28 +4759,35 @@ msgstr "" msgid "Template" msgstr "" -#: qtplugins/templatetool/templatetool.cpp:294 +#: qtplugins/templatetool/templatetool.cpp:84 +msgid "" +"Template Tool\n" +"\n" +"Insert fragments, including metal centers.\n" +"Select an element and coordination geometry,then click to insert a " +"fragment.\n" +"\n" +"Select a ligand or functional group and clickon a hydrogen atom to attach it." +msgstr "" + +#: qtplugins/templatetool/templatetool.cpp:302 #, fuzzy #| msgid "Insert Fragment" msgid "Insert Template" msgstr "Infoga fragment" -#: qtplugins/templatetool/templatetool.cpp:544 +#: qtplugins/templatetool/templatetool.cpp:559 #, fuzzy #| msgid "Insert Fragment" msgid "Insert Ligand" msgstr "Infoga fragment" -#: qtplugins/templatetool/templatetool.h:34 #: qtplugins/templatetool/templatetool.h:35 +#: qtplugins/templatetool/templatetool.h:36 #, fuzzy msgid "Template tool" msgstr "Mät" -#: qtplugins/templatetool/templatetoolwidget.cpp:288 -msgid "Other..." -msgstr "" - #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" @@ -4992,6 +5002,30 @@ msgstr "" msgid "Rename Elements" msgstr "" +#. i18n: file: qtgui/insertfragmentdialog.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) +#, fuzzy +#| msgid "Insert Fragment" +msgid "Insert Fragment…" +msgstr "Infoga fragment" + +#. i18n: file: qtgui/insertfragmentdialog.ui:22 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Filter:" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:29 +#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) +msgid "Type a name or part of a name to show only matching files." +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:86 +#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) +#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 +#. i18n: ectx: property (text), widget (QPushButton, insertButton) +msgid "Insert" +msgstr "" + #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" @@ -5837,30 +5871,6 @@ msgctxt "double-strand DNA" msgid "Double" msgstr "Dubbel" -#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 -#. i18n: ectx: property (text), widget (QPushButton, insertButton) -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 -#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) -msgid "Insert" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -#, fuzzy -#| msgid "Insert Fragment" -msgid "Insert Fragment…" -msgstr "Infoga fragment" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Filter:" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 -#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) -msgid "Type a name or part of a name to show only matching files." -msgstr "" - #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" diff --git a/i18n/ta.po b/i18n/ta.po index dc811fee0f..34a52de3b4 100644 --- a/i18n/ta.po +++ b/i18n/ta.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-29 02:01+0000\n" +"POT-Creation-Date: 2023-11-19 14:57+0000\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: Automatically generated\n" "Language-Team: none\n" @@ -954,65 +954,60 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:48 -msgid "" -"The file name contains invalid characters. Please choose another file name." -msgstr "" - -#: qtgui/fileformatdialog.cpp:60 +#: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:108 +#: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:122 +#: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:171 +#: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:172 +#: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:176 +#: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:177 +#: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:181 +#: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:182 +#: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:187 +#: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:287 +#: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" -#: qtgui/fileformatdialog.cpp:290 +#: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" @@ -1287,7 +1282,7 @@ msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 -#: qtplugins/select/select.cpp:527 +#: qtplugins/select/select.cpp:548 #: qtplugins/selectiontool/selectiontool.cpp:254:1567 msgid "Change Layer" msgstr "" @@ -1307,7 +1302,7 @@ msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) -#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:447 +#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:459 msgid "Adjust Hydrogens" msgstr "" @@ -1566,7 +1561,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) -#: qtplugins/apbs/apbs.h:31:84 +#: qtplugins/apbs/apbs.h:31:96 msgid "APBS" msgstr "" @@ -1629,7 +1624,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) -#: qtplugins/apbs/apbsdialog.cpp:178:144 +#: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" @@ -1748,7 +1743,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:183 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" @@ -1758,7 +1753,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:180 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1768,7 +1763,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" @@ -1778,7 +1773,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:177 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1790,7 +1785,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:186 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1824,7 +1819,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 +#: qtplugins/applycolors/applycolors.cpp:305:171 rc.cpp:1603 msgid "Colormap:" msgstr "" @@ -2037,7 +2032,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 -#: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 +#: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:381 msgid " Å" msgstr "" @@ -2292,7 +2287,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) -#: qtplugins/copypaste/copypaste.cpp:31:240 +#: qtplugins/copypaste/copypaste.cpp:31:252 msgid "Copy" msgstr "" @@ -2308,13 +2303,13 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) -#: qtplugins/copypaste/copypaste.cpp:34:237 +#: qtplugins/copypaste/copypaste.cpp:34:249 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) -#: qtplugins/copypaste/copypaste.cpp:35:249 +#: qtplugins/copypaste/copypaste.cpp:35:261 msgid "Clear" msgstr "" @@ -2657,6 +2652,14 @@ msgid "Editor tool" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:129 +#: qtplugins/templatetool/templatetoolwidget.cpp:270 +#: qtplugins/templatetool/templatetoolwidget.cpp:283 +#: qtplugins/templatetool/templatetoolwidget.cpp:291 +#: qtplugins/templatetool/templatetoolwidget.cpp:299 +#: qtplugins/templatetool/templatetoolwidget.cpp:307 +#: qtplugins/templatetool/templatetoolwidget.cpp:315 +#: qtplugins/templatetool/templatetoolwidget.cpp:328 +#: qtplugins/templatetool/templatetoolwidget.cpp:390 msgid "Other…" msgstr "" @@ -2775,17 +2778,17 @@ msgstr "" msgid "&Calculate" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:285 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 msgid "Optimize Geometry" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:326 #, qt-format msgid "%1 Energy = %L2" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:330 +#: qtplugins/forcefield/forcefield.cpp:327 #: qtplugins/playertool/playertool.cpp:343 #: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 #: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 @@ -2986,7 +2989,7 @@ msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:600 +#: qtplugins/insertdna/insertdna.cpp:168:612 msgid "Thymine" msgstr "" @@ -3026,7 +3029,7 @@ msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) -#: qtplugins/insertfragment/insertfragment.cpp:117:342 +#: qtplugins/insertfragment/insertfragment.cpp:117:354 msgid "Import Crystal" msgstr "" @@ -4197,7 +4200,7 @@ msgstr "" msgid "Select None" msgstr "" -#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:516 +#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:537 msgid "Invert Selection" msgstr "" @@ -4225,11 +4228,11 @@ msgstr "" msgid "Select Water…" msgstr "" -#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:352 +#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:368 msgid "Enlarge Selection" msgstr "" -#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:387 +#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:404 msgid "Shrink Selection" msgstr "" @@ -4249,39 +4252,39 @@ msgstr "" msgid "Select Element" msgstr "" -#: qtplugins/select/select.cpp:216 +#: qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" -#: qtplugins/select/select.cpp:254 +#: qtplugins/select/select.cpp:266 msgid "Select Backbone" msgstr "" -#: qtplugins/select/select.cpp:288 +#: qtplugins/select/select.cpp:302 msgid "Select Sidechain" msgstr "" -#: qtplugins/select/select.cpp:409 +#: qtplugins/select/select.cpp:428 msgid "Select Atoms by Index" msgstr "" -#: qtplugins/select/select.cpp:410 +#: qtplugins/select/select.cpp:429 msgid "Atoms to Select:" msgstr "" -#: qtplugins/select/select.cpp:415 +#: qtplugins/select/select.cpp:434 msgid "Select Atom" msgstr "" -#: qtplugins/select/select.cpp:448 +#: qtplugins/select/select.cpp:469 msgid "Select Atoms by Residue" msgstr "" -#: qtplugins/select/select.cpp:449 +#: qtplugins/select/select.cpp:470 msgid "Residues to Select:" msgstr "" -#: qtplugins/select/select.cpp:454 +#: qtplugins/select/select.cpp:475 msgid "Select Residue" msgstr "" @@ -4622,23 +4625,30 @@ msgstr "" msgid "Template" msgstr "" -#: qtplugins/templatetool/templatetool.cpp:294 +#: qtplugins/templatetool/templatetool.cpp:84 +msgid "" +"Template Tool\n" +"\n" +"Insert fragments, including metal centers.\n" +"Select an element and coordination geometry,then click to insert a " +"fragment.\n" +"\n" +"Select a ligand or functional group and clickon a hydrogen atom to attach it." +msgstr "" + +#: qtplugins/templatetool/templatetool.cpp:302 msgid "Insert Template" msgstr "" -#: qtplugins/templatetool/templatetool.cpp:544 +#: qtplugins/templatetool/templatetool.cpp:559 msgid "Insert Ligand" msgstr "" -#: qtplugins/templatetool/templatetool.h:34 #: qtplugins/templatetool/templatetool.h:35 +#: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" -#: qtplugins/templatetool/templatetoolwidget.cpp:288 -msgid "Other..." -msgstr "" - #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" @@ -4853,6 +4863,28 @@ msgstr "" msgid "Rename Elements" msgstr "" +#. i18n: file: qtgui/insertfragmentdialog.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) +msgid "Insert Fragment…" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:22 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Filter:" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:29 +#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) +msgid "Type a name or part of a name to show only matching files." +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:86 +#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) +#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 +#. i18n: ectx: property (text), widget (QPushButton, insertButton) +msgid "Insert" +msgstr "" + #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" @@ -5693,28 +5725,6 @@ msgctxt "double-strand DNA" msgid "Double" msgstr "" -#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 -#. i18n: ectx: property (text), widget (QPushButton, insertButton) -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 -#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) -msgid "Insert" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -msgid "Insert Fragment…" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Filter:" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 -#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) -msgid "Type a name or part of a name to show only matching files." -msgstr "" - #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" diff --git a/i18n/te.po b/i18n/te.po index 303a4df825..ee66a9ada6 100644 --- a/i18n/te.po +++ b/i18n/te.po @@ -6,7 +6,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-29 02:01+0000\n" +"POT-Creation-Date: 2023-11-19 14:57+0000\n" "PO-Revision-Date: 2023-10-11 16:27+0000\n" "Last-Translator: Balavamsi Krishna \n" "Language-Team: Telugu \n" "Language-Team: Thai \n" @@ -955,65 +955,60 @@ msgstr "" msgid "Select executable:" msgstr "" -#: qtgui/fileformatdialog.cpp:48 -msgid "" -"The file name contains invalid characters. Please choose another file name." -msgstr "" - -#: qtgui/fileformatdialog.cpp:60 +#: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" -#: qtgui/fileformatdialog.cpp:108 +#: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" -#: qtgui/fileformatdialog.cpp:122 +#: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" -#: qtgui/fileformatdialog.cpp:171 +#: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" -#: qtgui/fileformatdialog.cpp:172 +#: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" -#: qtgui/fileformatdialog.cpp:176 +#: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" -#: qtgui/fileformatdialog.cpp:177 +#: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" -#: qtgui/fileformatdialog.cpp:181 +#: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" -#: qtgui/fileformatdialog.cpp:182 +#: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" -#: qtgui/fileformatdialog.cpp:187 +#: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" -#: qtgui/fileformatdialog.cpp:287 +#: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" -#: qtgui/fileformatdialog.cpp:290 +#: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" @@ -1288,7 +1283,7 @@ msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:220 qtgui/rwlayermanager.cpp:223 -#: qtplugins/select/select.cpp:527 +#: qtplugins/select/select.cpp:548 #: qtplugins/selectiontool/selectiontool.cpp:254:1567 msgid "Change Layer" msgstr "" @@ -1308,7 +1303,7 @@ msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) -#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:447 +#: qtgui/rwmolecule.cpp:106 qtgui/rwmolecule.cpp:114:459 msgid "Adjust Hydrogens" msgstr "" @@ -1567,7 +1562,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) -#: qtplugins/apbs/apbs.h:31:84 +#: qtplugins/apbs/apbs.h:31:96 msgid "APBS" msgstr "" @@ -1630,7 +1625,7 @@ msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) -#: qtplugins/apbs/apbsdialog.cpp:178:144 +#: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" @@ -1750,7 +1745,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:122 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:756:171 rc.cpp:1615 +#: qtplugins/surfaces/surfaces.cpp:756:183 rc.cpp:1615 msgctxt "colormap" msgid "Spectral" msgstr "" @@ -1760,7 +1755,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:124 -#: qtplugins/surfaces/surfaces.cpp:758:168 rc.cpp:1612 +#: qtplugins/surfaces/surfaces.cpp:758:180 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" msgstr "" @@ -1770,7 +1765,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 -#: qtplugins/surfaces/surfaces.cpp:760:162 rc.cpp:1606 +#: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1606 msgctxt "colormap" msgid "Balance" msgstr "" @@ -1780,7 +1775,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:128 -#: qtplugins/surfaces/surfaces.cpp:762:165 rc.cpp:1609 +#: qtplugins/surfaces/surfaces.cpp:762:177 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" @@ -1792,7 +1787,7 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:130 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 -#: qtplugins/surfaces/surfaces.cpp:764:174 rc.cpp:1618 +#: qtplugins/surfaces/surfaces.cpp:764:186 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" msgstr "" @@ -1826,7 +1821,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:213 -#: qtplugins/applycolors/applycolors.cpp:305:159 rc.cpp:1603 +#: qtplugins/applycolors/applycolors.cpp:305:171 rc.cpp:1603 msgid "Colormap:" msgstr "" @@ -2039,7 +2034,7 @@ msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:215 -#: qtplugins/noncovalent/noncovalent.cpp:351:189 rc.cpp:192 rc.cpp:369 +#: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:381 msgid " Å" msgstr "" @@ -2294,7 +2289,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) -#: qtplugins/copypaste/copypaste.cpp:31:240 +#: qtplugins/copypaste/copypaste.cpp:31:252 msgid "Copy" msgstr "" @@ -2310,13 +2305,13 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) -#: qtplugins/copypaste/copypaste.cpp:34:237 +#: qtplugins/copypaste/copypaste.cpp:34:249 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) -#: qtplugins/copypaste/copypaste.cpp:35:249 +#: qtplugins/copypaste/copypaste.cpp:35:261 msgid "Clear" msgstr "" @@ -2659,6 +2654,14 @@ msgid "Editor tool" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:129 +#: qtplugins/templatetool/templatetoolwidget.cpp:270 +#: qtplugins/templatetool/templatetoolwidget.cpp:283 +#: qtplugins/templatetool/templatetoolwidget.cpp:291 +#: qtplugins/templatetool/templatetoolwidget.cpp:299 +#: qtplugins/templatetool/templatetoolwidget.cpp:307 +#: qtplugins/templatetool/templatetoolwidget.cpp:315 +#: qtplugins/templatetool/templatetoolwidget.cpp:328 +#: qtplugins/templatetool/templatetoolwidget.cpp:390 msgid "Other…" msgstr "" @@ -2777,17 +2780,17 @@ msgstr "" msgid "&Calculate" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:288 qtplugins/openbabel/openbabel.cpp:45 +#: qtplugins/forcefield/forcefield.cpp:285 qtplugins/openbabel/openbabel.cpp:45 #: qtplugins/openbabel/openbabel.cpp:525 msgid "Optimize Geometry" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:329 +#: qtplugins/forcefield/forcefield.cpp:326 #, qt-format msgid "%1 Energy = %L2" msgstr "" -#: qtplugins/forcefield/forcefield.cpp:330 +#: qtplugins/forcefield/forcefield.cpp:327 #: qtplugins/playertool/playertool.cpp:343 #: qtplugins/playertool/playertool.cpp:375 qtplugins/surfaces/surfaces.cpp:886 #: qtplugins/surfaces/surfaces.cpp:930 qtplugins/surfaces/surfaces.cpp:942 @@ -2988,7 +2991,7 @@ msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) -#: qtplugins/insertdna/insertdna.cpp:168:600 +#: qtplugins/insertdna/insertdna.cpp:168:612 msgid "Thymine" msgstr "" @@ -3028,7 +3031,7 @@ msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) -#: qtplugins/insertfragment/insertfragment.cpp:117:342 +#: qtplugins/insertfragment/insertfragment.cpp:117:354 msgid "Import Crystal" msgstr "" @@ -4199,7 +4202,7 @@ msgstr "" msgid "Select None" msgstr "" -#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:516 +#: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:537 msgid "Invert Selection" msgstr "" @@ -4227,11 +4230,11 @@ msgstr "" msgid "Select Water…" msgstr "" -#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:352 +#: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:368 msgid "Enlarge Selection" msgstr "" -#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:387 +#: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:404 msgid "Shrink Selection" msgstr "" @@ -4251,39 +4254,39 @@ msgstr "" msgid "Select Element" msgstr "" -#: qtplugins/select/select.cpp:216 +#: qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" -#: qtplugins/select/select.cpp:254 +#: qtplugins/select/select.cpp:266 msgid "Select Backbone" msgstr "" -#: qtplugins/select/select.cpp:288 +#: qtplugins/select/select.cpp:302 msgid "Select Sidechain" msgstr "" -#: qtplugins/select/select.cpp:409 +#: qtplugins/select/select.cpp:428 msgid "Select Atoms by Index" msgstr "" -#: qtplugins/select/select.cpp:410 +#: qtplugins/select/select.cpp:429 msgid "Atoms to Select:" msgstr "" -#: qtplugins/select/select.cpp:415 +#: qtplugins/select/select.cpp:434 msgid "Select Atom" msgstr "" -#: qtplugins/select/select.cpp:448 +#: qtplugins/select/select.cpp:469 msgid "Select Atoms by Residue" msgstr "" -#: qtplugins/select/select.cpp:449 +#: qtplugins/select/select.cpp:470 msgid "Residues to Select:" msgstr "" -#: qtplugins/select/select.cpp:454 +#: qtplugins/select/select.cpp:475 msgid "Select Residue" msgstr "" @@ -4624,23 +4627,30 @@ msgstr "" msgid "Template" msgstr "" -#: qtplugins/templatetool/templatetool.cpp:294 +#: qtplugins/templatetool/templatetool.cpp:84 +msgid "" +"Template Tool\n" +"\n" +"Insert fragments, including metal centers.\n" +"Select an element and coordination geometry,then click to insert a " +"fragment.\n" +"\n" +"Select a ligand or functional group and clickon a hydrogen atom to attach it." +msgstr "" + +#: qtplugins/templatetool/templatetool.cpp:302 msgid "Insert Template" msgstr "" -#: qtplugins/templatetool/templatetool.cpp:544 +#: qtplugins/templatetool/templatetool.cpp:559 msgid "Insert Ligand" msgstr "" -#: qtplugins/templatetool/templatetool.h:34 #: qtplugins/templatetool/templatetool.h:35 +#: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" -#: qtplugins/templatetool/templatetoolwidget.cpp:288 -msgid "Other..." -msgstr "" - #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" @@ -4855,6 +4865,28 @@ msgstr "" msgid "Rename Elements" msgstr "" +#. i18n: file: qtgui/insertfragmentdialog.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) +msgid "Insert Fragment…" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:22 +#. i18n: ectx: property (text), widget (QLabel, label) +msgid "Filter:" +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:29 +#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) +msgid "Type a name or part of a name to show only matching files." +msgstr "" + +#. i18n: file: qtgui/insertfragmentdialog.ui:86 +#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) +#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 +#. i18n: ectx: property (text), widget (QPushButton, insertButton) +msgid "Insert" +msgstr "" + #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" @@ -5695,28 +5727,6 @@ msgctxt "double-strand DNA" msgid "Double" msgstr "" -#. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 -#. i18n: ectx: property (text), widget (QPushButton, insertButton) -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:86 -#. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) -msgid "Insert" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::InsertFragmentDialog) -msgid "Insert Fragment…" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:22 -#. i18n: ectx: property (text), widget (QLabel, label) -msgid "Filter:" -msgstr "" - -#. i18n: file: qtplugins/insertfragment/insertfragmentdialog.ui:29 -#. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) -msgid "Type a name or part of a name to show only matching files." -msgstr "" - #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" diff --git a/i18n/tr.po b/i18n/tr.po index ce623e5cf0..24dfe62dd6 100644 --- a/i18n/tr.po +++ b/i18n/tr.po @@ -13,7 +13,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-10-29 02:01+0000\n" +"POT-Creation-Date: 2023-11-19 14:57+0000\n" "PO-Revision-Date: 2023-05-20 18:51+0000\n" "Last-Translator: Hıncal Gökhan BAKIR \n" "Language-Team: Turkish \n" "Language-Team: Uyghur \n" "Language-Team: Ukrainian \n" "Language-Team: Vietnamese \n" "Language-Team: Chinese (Simplified) \n" "Language-Team: Chinese (Traditional) Date: Sun, 19 Nov 2023 16:55:33 +0000 Subject: [PATCH 151/186] Translated using Weblate (Spanish) Currently translated at 100.0% (1472 of 1472 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 14 +++++++++++--- 1 file changed, 11 insertions(+), 3 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index 19141db285..3f56093b33 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -14,8 +14,8 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-11-19 14:57+0000\n" -"PO-Revision-Date: 2023-10-31 11:02+0000\n" -"Last-Translator: Alejandro Díaz-Moscoso \n" +"PO-Revision-Date: 2023-11-19 16:57+0000\n" +"Last-Translator: gallegonovato \n" "Language-Team: Spanish \n" "Language: es\n" @@ -23,7 +23,7 @@ msgstr "" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" -"X-Generator: Weblate 5.2-dev\n" +"X-Generator: Weblate 5.2\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:70 @@ -4857,6 +4857,14 @@ msgid "" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" +"Herramienta de la plantilla\n" +"\n" +"Inserte los fragmentos, incluidos los centros metálicos.\n" +"Seleccione un elemento y una geometría de coordinación y haga clic para " +"insertar un fragmento.\n" +"\n" +"Seleccione un ligante o grupo funcional y haga clic en un átomo de hidrógeno " +"para unirlo." #: qtplugins/templatetool/templatetool.cpp:302 msgid "Insert Template" From c59f7ad965e8cf5cba6d863978fa36e31c7001fc Mon Sep 17 00:00:00 2001 From: Hosted Weblate Date: Sun, 19 Nov 2023 16:57:21 +0000 Subject: [PATCH 152/186] Update translation files Updated by "Update PO files to match POT (msgmerge)" hook in Weblate. Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/ --- i18n/af.po | 37 +++++++++++----------------- i18n/ar.po | 40 ++++++++++++------------------ i18n/bg.po | 40 ++++++++++++------------------ i18n/bs.po | 40 ++++++++++++------------------ i18n/ca.po | 40 ++++++++++++------------------ i18n/ca@valencia.po | 40 ++++++++++++------------------ i18n/cs.po | 40 ++++++++++++------------------ i18n/da.po | 40 ++++++++++++------------------ i18n/de.po | 59 ++++++++++++++++++++++++-------------------- i18n/el.po | 40 ++++++++++++------------------ i18n/en_AU.po | 60 ++++++++++++++++++++++++++------------------- i18n/en_CA.po | 60 ++++++++++++++++++++++++++------------------- i18n/en_GB.po | 60 ++++++++++++++++++++++++++------------------- i18n/eo.po | 60 ++++++++++++++++++++++++++------------------- i18n/es.po | 60 ++++++++++++++++++++++++++------------------- i18n/et.po | 37 +++++++++++----------------- i18n/eu.po | 40 ++++++++++++------------------ i18n/fa.po | 37 +++++++++++----------------- i18n/fi.po | 40 ++++++++++++------------------ i18n/fr.po | 60 ++++++++++++++++++++++++++------------------- i18n/fr_CA.po | 37 +++++++++++----------------- i18n/gl.po | 40 ++++++++++++------------------ i18n/he.po | 40 ++++++++++++------------------ i18n/hi.po | 37 +++++++++++----------------- i18n/hr.po | 37 +++++++++++----------------- i18n/hu.po | 60 ++++++++++++++++++++++++++------------------- i18n/id.po | 45 +++++++++++++++------------------- i18n/it.po | 43 ++++++++++++++------------------ i18n/ja.po | 49 ++++++++++++++++++------------------ i18n/ka.po | 54 +++++++++++++++++++++------------------- i18n/kn.po | 37 +++++++++++----------------- i18n/ko.po | 60 ++++++++++++++++++++++++++------------------- i18n/ms.po | 40 ++++++++++++------------------ i18n/nb.po | 47 +++++++++++++++++------------------ i18n/nl.po | 40 ++++++++++++------------------ i18n/oc.po | 40 ++++++++++++------------------ i18n/pl.po | 40 ++++++++++++------------------ i18n/pt.po | 59 ++++++++++++++++++++++++-------------------- i18n/pt_BR.po | 59 ++++++++++++++++++++++++-------------------- i18n/ro.po | 37 +++++++++++----------------- i18n/ru.po | 40 ++++++++++++------------------ i18n/sa.po | 37 +++++++++++----------------- i18n/sk.po | 40 ++++++++++++------------------ i18n/sl.po | 40 ++++++++++++------------------ i18n/sq.po | 37 +++++++++++----------------- i18n/sr.po | 60 ++++++++++++++++++++++++++------------------- i18n/sv.po | 37 +++++++++++----------------- i18n/ta.po | 37 +++++++++++----------------- i18n/te.po | 37 +++++++++++----------------- i18n/th.po | 37 +++++++++++----------------- i18n/tr.po | 48 +++++++++++++++++------------------- i18n/ug.po | 40 ++++++++++++------------------ i18n/uk.po | 40 ++++++++++++------------------ i18n/vi.po | 40 ++++++++++++------------------ i18n/zh_CN.po | 43 ++++++++++++++------------------ i18n/zh_TW.po | 40 ++++++++++++------------------ 56 files changed, 1134 insertions(+), 1350 deletions(-) diff --git a/i18n/af.po b/i18n/af.po index d2a4a5c19c..35b63af2b5 100644 --- a/i18n/af.po +++ b/i18n/af.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2021-06-19 13:34+0000\n" "Last-Translator: Nathan \n" "Language-Team: Afrikaans 1" diff --git a/i18n/ar.po b/i18n/ar.po index e10ec2f7c3..3e902667bc 100644 --- a/i18n/ar.po +++ b/i18n/ar.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2021-06-16 17:34+0000\n" "Last-Translator: Lihan Zhu \n" "Language-Team: Arabic 1" diff --git a/i18n/bg.po b/i18n/bg.po index d7d4bf981a..1648bf9fbb 100644 --- a/i18n/bg.po +++ b/i18n/bg.po @@ -8,7 +8,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-08-05 21:51+0000\n" "Last-Translator: Salif Mehmed \n" "Language-Team: Bulgarian 1" diff --git a/i18n/bs.po b/i18n/bs.po index ead6b6fdab..1a21377207 100644 --- a/i18n/bs.po +++ b/i18n/bs.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2021-07-12 15:33+0000\n" "Last-Translator: Emin Macanović \n" "Language-Team: Bosnian 1" diff --git a/i18n/ca.po b/i18n/ca.po index dc1991318e..fab6b54000 100644 --- a/i18n/ca.po +++ b/i18n/ca.po @@ -10,7 +10,7 @@ msgid "" msgstr "" "Project-Id-Version: _avogadro-ca\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-03-20 18:38+0000\n" "Last-Translator: victor dargallo \n" "Language-Team: Catalan 1" diff --git a/i18n/ca@valencia.po b/i18n/ca@valencia.po index a5983d79d5..e7984a5f44 100644 --- a/i18n/ca@valencia.po +++ b/i18n/ca@valencia.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: _avogadro-ca\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2016-06-10 06:28+0000\n" "Last-Translator: Avogadro Team \n" "Language-Team: Catalan (Valencia) \n" @@ -3922,7 +3922,9 @@ msgstr "" msgid "Dynamic bonding?" msgstr "Enllaços dinàmics" -#: qtplugins/playertool/playertool.cpp:139 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 +#. i18n: ectx: property (text), widget (QPushButton, recordButton) +#: qtplugins/playertool/playertool.cpp:139:1684 msgid "Record Movie…" msgstr "" @@ -4075,7 +4077,9 @@ msgstr "" msgid "Error while extracting: %1" msgstr "" -#: qtplugins/plugindownloader/plugindownloader.cpp:27 +#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) +#: qtplugins/plugindownloader/plugindownloader.cpp:27:1540 msgid "Download Plugins…" msgstr "" @@ -5106,6 +5110,10 @@ msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" @@ -5440,7 +5448,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) -msgid "Help..." +msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 @@ -5477,19 +5485,13 @@ msgstr "Reinicia-ho tot" msgid "Defaults" msgstr "Paràmetres per defecte" -#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -msgid "Submit Calculation..." -msgstr "" - #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Save File..." -msgstr "" +#, fuzzy +msgid "Save File…" +msgstr "Alça el fitxer de vídeo" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) @@ -6588,7 +6590,7 @@ msgstr "Utilitza la forma" #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Generate..." +msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 @@ -7223,11 +7225,6 @@ msgstr "" msgid "Max 2*theta:" msgstr "" -#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) -msgid "Download Plugins..." -msgstr "" - #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" @@ -7385,11 +7382,6 @@ msgstr "Estronci" msgid "Calculate" msgstr "Calcula" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 -#. i18n: ectx: property (text), widget (QPushButton, recordButton) -msgid "Record Movie..." -msgstr "" - #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" diff --git a/i18n/cs.po b/i18n/cs.po index b758c94697..f39c2ae20f 100644 --- a/i18n/cs.po +++ b/i18n/cs.po @@ -10,7 +10,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-10-31 11:02+0000\n" "Last-Translator: Martin Slavík \n" "Language-Team: Czech 1" diff --git a/i18n/da.po b/i18n/da.po index aff6e6eed8..b885435c70 100644 --- a/i18n/da.po +++ b/i18n/da.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2016-06-10 06:28+0000\n" "Last-Translator: jvd \n" "Language-Team: Danish \n" @@ -3896,7 +3896,9 @@ msgstr "" msgid "Dynamic bonding?" msgstr "" -#: qtplugins/playertool/playertool.cpp:139 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 +#. i18n: ectx: property (text), widget (QPushButton, recordButton) +#: qtplugins/playertool/playertool.cpp:139:1684 msgid "Record Movie…" msgstr "" @@ -4049,7 +4051,9 @@ msgstr "" msgid "Error while extracting: %1" msgstr "" -#: qtplugins/plugindownloader/plugindownloader.cpp:27 +#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) +#: qtplugins/plugindownloader/plugindownloader.cpp:27:1540 msgid "Download Plugins…" msgstr "" @@ -5068,6 +5072,10 @@ msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" @@ -5398,7 +5406,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) -msgid "Help..." +msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 @@ -5435,19 +5443,13 @@ msgstr "" msgid "Defaults" msgstr "" -#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -msgid "Submit Calculation..." -msgstr "" - #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Save File..." -msgstr "" +#, fuzzy +msgid "Save File…" +msgstr "Gem video fil" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) @@ -6534,7 +6536,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Generate..." +msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 @@ -7164,11 +7166,6 @@ msgstr "" msgid "Max 2*theta:" msgstr "" -#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) -msgid "Download Plugins..." -msgstr "" - #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" @@ -7323,11 +7320,6 @@ msgstr "Strontium" msgid "Calculate" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 -#. i18n: ectx: property (text), widget (QPushButton, recordButton) -msgid "Record Movie..." -msgstr "" - #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" diff --git a/i18n/de.po b/i18n/de.po index 1f7be26da8..ae3d53e745 100644 --- a/i18n/de.po +++ b/i18n/de.po @@ -11,7 +11,7 @@ msgid "" msgstr "" "Project-Id-Version: _avogadro-de\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-08-17 15:50+0000\n" "Last-Translator: Norwid Behrnd \n" "Language-Team: German 1" @@ -7761,6 +7756,18 @@ msgstr "" "niku18@web.de,,,,,tobannert@gmail.com,cniehaus@gmx.de,,,simon@ochsenreither." "de,," +#~ msgid "Help..." +#~ msgstr "Hilfe..." + +#~ msgid "Save File..." +#~ msgstr "Datei speichern..." + +#~ msgid "Download Plugins..." +#~ msgstr "Plugins herunterladen..." + +#~ msgid "Record Movie..." +#~ msgstr "Video aufzeichnen …" + #~ msgid "Other..." #~ msgstr "Anderes …" diff --git a/i18n/el.po b/i18n/el.po index 49c73497db..872ede7274 100644 --- a/i18n/el.po +++ b/i18n/el.po @@ -8,7 +8,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2021-02-13 01:19+0000\n" "Last-Translator: Michalis \n" "Language-Team: Greek 1" diff --git a/i18n/en_AU.po b/i18n/en_AU.po index a3a81d2f7f..d33302a64e 100644 --- a/i18n/en_AU.po +++ b/i18n/en_AU.po @@ -10,7 +10,7 @@ msgid "" msgstr "" "Project-Id-Version: _avogadro-en_GB\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-11-08 19:34+0000\n" "Last-Translator: matterhorn103 \n" "Language-Team: English (United Kingdom) 1" @@ -7717,6 +7712,21 @@ msgstr "" "odell@googlemail.com,,,,,avogadro-devel@lists.sourceforge.net,bburns@aundae." "com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com" +#~ msgid "Help..." +#~ msgstr "Help..." + +#~ msgid "Submit Calculation..." +#~ msgstr "Submit Calculation..." + +#~ msgid "Save File..." +#~ msgstr "Save File..." + +#~ msgid "Download Plugins..." +#~ msgstr "Download Plugins..." + +#~ msgid "Record Movie..." +#~ msgstr "Record Movie..." + #~ msgid "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." diff --git a/i18n/en_CA.po b/i18n/en_CA.po index a3a81d2f7f..d33302a64e 100644 --- a/i18n/en_CA.po +++ b/i18n/en_CA.po @@ -10,7 +10,7 @@ msgid "" msgstr "" "Project-Id-Version: _avogadro-en_GB\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-11-08 19:34+0000\n" "Last-Translator: matterhorn103 \n" "Language-Team: English (United Kingdom) 1" @@ -7717,6 +7712,21 @@ msgstr "" "odell@googlemail.com,,,,,avogadro-devel@lists.sourceforge.net,bburns@aundae." "com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com" +#~ msgid "Help..." +#~ msgstr "Help..." + +#~ msgid "Submit Calculation..." +#~ msgstr "Submit Calculation..." + +#~ msgid "Save File..." +#~ msgstr "Save File..." + +#~ msgid "Download Plugins..." +#~ msgstr "Download Plugins..." + +#~ msgid "Record Movie..." +#~ msgstr "Record Movie..." + #~ msgid "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." diff --git a/i18n/en_GB.po b/i18n/en_GB.po index a3a81d2f7f..d33302a64e 100644 --- a/i18n/en_GB.po +++ b/i18n/en_GB.po @@ -10,7 +10,7 @@ msgid "" msgstr "" "Project-Id-Version: _avogadro-en_GB\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-11-08 19:34+0000\n" "Last-Translator: matterhorn103 \n" "Language-Team: English (United Kingdom) 1" @@ -7717,6 +7712,21 @@ msgstr "" "odell@googlemail.com,,,,,avogadro-devel@lists.sourceforge.net,bburns@aundae." "com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com" +#~ msgid "Help..." +#~ msgstr "Help..." + +#~ msgid "Submit Calculation..." +#~ msgstr "Submit Calculation..." + +#~ msgid "Save File..." +#~ msgstr "Save File..." + +#~ msgid "Download Plugins..." +#~ msgstr "Download Plugins..." + +#~ msgid "Record Movie..." +#~ msgstr "Record Movie..." + #~ msgid "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." diff --git a/i18n/eo.po b/i18n/eo.po index a248b92859..d4d70ef94b 100644 --- a/i18n/eo.po +++ b/i18n/eo.po @@ -6,7 +6,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.93.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2021-09-26 12:57+0000\n" "Last-Translator: phlostically \n" "Language-Team: Esperanto 1" @@ -8071,6 +8066,21 @@ msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "phlostically@example.com" +#~ msgid "Help..." +#~ msgstr "Helpo…" + +#~ msgid "Submit Calculation..." +#~ msgstr "Submeti Kalkulon…" + +#~ msgid "Save File..." +#~ msgstr "Konservi Dosieron…" + +#~ msgid "Download Plugins..." +#~ msgstr "Elŝuti kromprogramojn…" + +#~ msgid "Record Movie..." +#~ msgstr "Registri Filmeton…" + #, fuzzy #~| msgid "Other..." #~ msgid "Other..." diff --git a/i18n/es.po b/i18n/es.po index 3f56093b33..18fb0db457 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -13,7 +13,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-11-19 16:57+0000\n" "Last-Translator: gallegonovato \n" "Language-Team: Spanish 1" @@ -7878,6 +7873,21 @@ msgstr "" "tres.14159@gmail.com,monkey.libre@gmail.com,nzahlut@live.com,,paco@byasl." "com,,victorhera@gmail.com,memaljo@yahoo.com," +#~ msgid "Help..." +#~ msgstr "Ayuda…" + +#~ msgid "Submit Calculation..." +#~ msgstr "Enviar Cálculos…" + +#~ msgid "Save File..." +#~ msgstr "Guardar Archivo…" + +#~ msgid "Download Plugins..." +#~ msgstr "Descargar Complementos…" + +#~ msgid "Record Movie..." +#~ msgstr "Grabar Película…" + #~ msgid "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." diff --git a/i18n/et.po b/i18n/et.po index 1f77f8b025..efaf475c4a 100644 --- a/i18n/et.po +++ b/i18n/et.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2016-06-10 06:31+0000\n" "Last-Translator: Avogadro Team \n" "Language-Team: Estonian \n" @@ -3778,7 +3778,9 @@ msgstr "" msgid "Dynamic bonding?" msgstr "" -#: qtplugins/playertool/playertool.cpp:139 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 +#. i18n: ectx: property (text), widget (QPushButton, recordButton) +#: qtplugins/playertool/playertool.cpp:139:1684 msgid "Record Movie…" msgstr "" @@ -3931,7 +3933,9 @@ msgstr "" msgid "Error while extracting: %1" msgstr "" -#: qtplugins/plugindownloader/plugindownloader.cpp:27 +#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) +#: qtplugins/plugindownloader/plugindownloader.cpp:27:1540 msgid "Download Plugins…" msgstr "" @@ -4919,6 +4923,10 @@ msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" @@ -5247,7 +5255,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) -msgid "Help..." +msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 @@ -5284,18 +5292,11 @@ msgstr "" msgid "Defaults" msgstr "" -#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -msgid "Submit Calculation..." -msgstr "" - #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Save File..." +msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 @@ -6384,7 +6385,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Generate..." +msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 @@ -7008,11 +7009,6 @@ msgstr "" msgid "Max 2*theta:" msgstr "" -#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) -msgid "Download Plugins..." -msgstr "" - #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" @@ -7161,11 +7157,6 @@ msgstr "Strontsium" msgid "Calculate" msgstr "Arvuta" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 -#. i18n: ectx: property (text), widget (QPushButton, recordButton) -msgid "Record Movie..." -msgstr "" - #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" diff --git a/i18n/eu.po b/i18n/eu.po index eb937deb66..f302fc3534 100644 --- a/i18n/eu.po +++ b/i18n/eu.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2022-06-22 19:15+0000\n" "Last-Translator: Julen Larrucea \n" "Language-Team: Basque 1" diff --git a/i18n/fa.po b/i18n/fa.po index 42bce45bcf..b3cceab521 100644 --- a/i18n/fa.po +++ b/i18n/fa.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.93.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: Automatically generated\n" "Language-Team: none\n" @@ -3707,7 +3707,9 @@ msgstr "" msgid "Dynamic bonding?" msgstr "" -#: qtplugins/playertool/playertool.cpp:139 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 +#. i18n: ectx: property (text), widget (QPushButton, recordButton) +#: qtplugins/playertool/playertool.cpp:139:1684 msgid "Record Movie…" msgstr "" @@ -3859,7 +3861,9 @@ msgstr "" msgid "Error while extracting: %1" msgstr "" -#: qtplugins/plugindownloader/plugindownloader.cpp:27 +#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) +#: qtplugins/plugindownloader/plugindownloader.cpp:27:1540 msgid "Download Plugins…" msgstr "" @@ -4786,6 +4790,10 @@ msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" @@ -5111,7 +5119,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) -msgid "Help..." +msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 @@ -5148,18 +5156,11 @@ msgstr "" msgid "Defaults" msgstr "" -#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -msgid "Submit Calculation..." -msgstr "" - #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Save File..." +msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 @@ -6231,7 +6232,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Generate..." +msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 @@ -6855,11 +6856,6 @@ msgstr "" msgid "Max 2*theta:" msgstr "" -#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) -msgid "Download Plugins..." -msgstr "" - #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" @@ -7004,11 +7000,6 @@ msgstr "" msgid "Calculate" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 -#. i18n: ectx: property (text), widget (QPushButton, recordButton) -msgid "Record Movie..." -msgstr "" - #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" diff --git a/i18n/fi.po b/i18n/fi.po index a57f2b2d95..cd2a535223 100644 --- a/i18n/fi.po +++ b/i18n/fi.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2016-06-10 06:32+0000\n" "Last-Translator: Avogadro Team \n" "Language-Team: Finnish \n" @@ -3830,7 +3830,9 @@ msgstr "" msgid "Dynamic bonding?" msgstr "" -#: qtplugins/playertool/playertool.cpp:139 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 +#. i18n: ectx: property (text), widget (QPushButton, recordButton) +#: qtplugins/playertool/playertool.cpp:139:1684 msgid "Record Movie…" msgstr "" @@ -3983,7 +3985,9 @@ msgstr "" msgid "Error while extracting: %1" msgstr "" -#: qtplugins/plugindownloader/plugindownloader.cpp:27 +#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) +#: qtplugins/plugindownloader/plugindownloader.cpp:27:1540 msgid "Download Plugins…" msgstr "" @@ -4983,6 +4987,10 @@ msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" @@ -5312,7 +5320,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) -msgid "Help..." +msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 @@ -5349,19 +5357,13 @@ msgstr "" msgid "Defaults" msgstr "Oletusasetukset" -#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -msgid "Submit Calculation..." -msgstr "" - #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Save File..." -msgstr "" +#, fuzzy +msgid "Save File…" +msgstr "Tallenna" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) @@ -6448,7 +6450,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Generate..." +msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 @@ -7075,11 +7077,6 @@ msgstr "" msgid "Max 2*theta:" msgstr "" -#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) -msgid "Download Plugins..." -msgstr "" - #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" @@ -7229,11 +7226,6 @@ msgstr "Strontium" msgid "Calculate" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 -#. i18n: ectx: property (text), widget (QPushButton, recordButton) -msgid "Record Movie..." -msgstr "" - #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" diff --git a/i18n/fr.po b/i18n/fr.po index df531e8d8a..eeda0f8251 100644 --- a/i18n/fr.po +++ b/i18n/fr.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: PACKAGE VERSION\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-11-06 11:35+0000\n" "Last-Translator: research11111 \n" "Language-Team: French 1" @@ -7746,6 +7741,21 @@ msgstr "" "com, jacob.benoit.1@gmail.com, nizarus@nizarus.org, nizarus@nizarus.tn, " "pierre.slamich@gmail.com, etc" +#~ msgid "Help..." +#~ msgstr "Aide..." + +#~ msgid "Submit Calculation..." +#~ msgstr "Soumettre calcul..." + +#~ msgid "Save File..." +#~ msgstr "Enregistrer le fichier..." + +#~ msgid "Download Plugins..." +#~ msgstr "Télécharger des greffons..." + +#~ msgid "Record Movie..." +#~ msgstr "Enregistrer vidéo..." + #~ msgid "Other..." #~ msgstr "Autre..." diff --git a/i18n/fr_CA.po b/i18n/fr_CA.po index afd7b578ab..0b8912e0d6 100644 --- a/i18n/fr_CA.po +++ b/i18n/fr_CA.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: Automatically generated\n" "Language-Team: none\n" @@ -3707,7 +3707,9 @@ msgstr "" msgid "Dynamic bonding?" msgstr "" -#: qtplugins/playertool/playertool.cpp:139 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 +#. i18n: ectx: property (text), widget (QPushButton, recordButton) +#: qtplugins/playertool/playertool.cpp:139:1684 msgid "Record Movie…" msgstr "" @@ -3859,7 +3861,9 @@ msgstr "" msgid "Error while extracting: %1" msgstr "" -#: qtplugins/plugindownloader/plugindownloader.cpp:27 +#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) +#: qtplugins/plugindownloader/plugindownloader.cpp:27:1540 msgid "Download Plugins…" msgstr "" @@ -4786,6 +4790,10 @@ msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" @@ -5111,7 +5119,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) -msgid "Help..." +msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 @@ -5148,18 +5156,11 @@ msgstr "" msgid "Defaults" msgstr "" -#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -msgid "Submit Calculation..." -msgstr "" - #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Save File..." +msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 @@ -6231,7 +6232,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Generate..." +msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 @@ -6855,11 +6856,6 @@ msgstr "" msgid "Max 2*theta:" msgstr "" -#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) -msgid "Download Plugins..." -msgstr "" - #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" @@ -7004,11 +7000,6 @@ msgstr "" msgid "Calculate" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 -#. i18n: ectx: property (text), widget (QPushButton, recordButton) -msgid "Record Movie..." -msgstr "" - #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" diff --git a/i18n/gl.po b/i18n/gl.po index 6c1f0ad40a..271c5625f5 100644 --- a/i18n/gl.po +++ b/i18n/gl.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.1.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2016-06-10 06:32+0000\n" "Last-Translator: Miguel Anxo Bouzada \n" "Language-Team: Galician \n" @@ -3935,7 +3935,9 @@ msgstr "" msgid "Dynamic bonding?" msgstr "Enlaces dinámicos" -#: qtplugins/playertool/playertool.cpp:139 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 +#. i18n: ectx: property (text), widget (QPushButton, recordButton) +#: qtplugins/playertool/playertool.cpp:139:1684 msgid "Record Movie…" msgstr "" @@ -4088,7 +4090,9 @@ msgstr "" msgid "Error while extracting: %1" msgstr "" -#: qtplugins/plugindownloader/plugindownloader.cpp:27 +#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) +#: qtplugins/plugindownloader/plugindownloader.cpp:27:1540 msgid "Download Plugins…" msgstr "" @@ -5131,6 +5135,10 @@ msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) #, fuzzy #| msgid "Running Abinit calculation..." msgid "Submit Calculation…" @@ -5467,7 +5475,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) -msgid "Help..." +msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 @@ -5504,19 +5512,13 @@ msgstr "Restaurar todo" msgid "Defaults" msgstr "Predeterminados" -#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -msgid "Submit Calculation..." -msgstr "" - #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Save File..." -msgstr "" +#, fuzzy +msgid "Save File…" +msgstr "Gardar o ficheiro de vídeo" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) @@ -6615,7 +6617,7 @@ msgstr "Usar a forma" #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Generate..." +msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 @@ -7252,11 +7254,6 @@ msgstr "" msgid "Max 2*theta:" msgstr "" -#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) -msgid "Download Plugins..." -msgstr "" - #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" @@ -7414,11 +7411,6 @@ msgstr "Estroncio" msgid "Calculate" msgstr "Calcular" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 -#. i18n: ectx: property (text), widget (QPushButton, recordButton) -msgid "Record Movie..." -msgstr "" - #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" diff --git a/i18n/he.po b/i18n/he.po index 4632bea261..2a1ef9ed7e 100644 --- a/i18n/he.po +++ b/i18n/he.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2016-06-10 06:32+0000\n" "Last-Translator: Avogadro Team \n" "Language-Team: Hebrew \n" @@ -3745,7 +3745,9 @@ msgstr "" msgid "Dynamic bonding?" msgstr "" -#: qtplugins/playertool/playertool.cpp:139 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 +#. i18n: ectx: property (text), widget (QPushButton, recordButton) +#: qtplugins/playertool/playertool.cpp:139:1684 msgid "Record Movie…" msgstr "" @@ -3898,7 +3900,9 @@ msgstr "" msgid "Error while extracting: %1" msgstr "" -#: qtplugins/plugindownloader/plugindownloader.cpp:27 +#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) +#: qtplugins/plugindownloader/plugindownloader.cpp:27:1540 msgid "Download Plugins…" msgstr "" @@ -4844,6 +4848,10 @@ msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" @@ -5170,7 +5178,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) -msgid "Help..." +msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 @@ -5207,19 +5215,13 @@ msgstr "" msgid "Defaults" msgstr "" -#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -msgid "Submit Calculation..." -msgstr "" - #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Save File..." -msgstr "" +#, fuzzy +msgid "Save File…" +msgstr "שמור קובץ וידאו" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) @@ -6290,7 +6292,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Generate..." +msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 @@ -6914,11 +6916,6 @@ msgstr "" msgid "Max 2*theta:" msgstr "" -#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) -msgid "Download Plugins..." -msgstr "" - #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" @@ -7065,11 +7062,6 @@ msgstr "סטרונציום" msgid "Calculate" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 -#. i18n: ectx: property (text), widget (QPushButton, recordButton) -msgid "Record Movie..." -msgstr "" - #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" diff --git a/i18n/hi.po b/i18n/hi.po index 68d3b20313..88e453cb08 100644 --- a/i18n/hi.po +++ b/i18n/hi.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-10-31 11:02+0000\n" "Last-Translator: Atharva Kanherkar \n" "Language-Team: Hindi 1" diff --git a/i18n/hr.po b/i18n/hr.po index ea75719e2c..cd7eabe350 100644 --- a/i18n/hr.po +++ b/i18n/hr.po @@ -6,7 +6,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-09-26 15:02+0000\n" "Last-Translator: Milo Ivir \n" "Language-Team: Croatian 1" diff --git a/i18n/hu.po b/i18n/hu.po index a04f740aee..7efd8a3f59 100644 --- a/i18n/hu.po +++ b/i18n/hu.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-10-31 11:02+0000\n" "Last-Translator: ovari \n" "Language-Team: Hungarian 1" @@ -7746,6 +7741,21 @@ msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "E-mail-címek" +#~ msgid "Help..." +#~ msgstr "Súgó…" + +#~ msgid "Submit Calculation..." +#~ msgstr "Számítás elküldése…" + +#~ msgid "Save File..." +#~ msgstr "Fájl mentése…" + +#~ msgid "Download Plugins..." +#~ msgstr "Beépülő modulok letöltése…" + +#~ msgid "Record Movie..." +#~ msgstr "Rajzfilmfájl felvétele…" + #~ msgid "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." diff --git a/i18n/id.po b/i18n/id.po index f9cbea717d..8c4fbb0c03 100644 --- a/i18n/id.po +++ b/i18n/id.po @@ -12,7 +12,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2021-12-22 05:54+0000\n" "Last-Translator: Reza Almanda \n" "Language-Team: Indonesian 1" diff --git a/i18n/it.po b/i18n/it.po index e6a518f010..ee1afb9be3 100644 --- a/i18n/it.po +++ b/i18n/it.po @@ -14,7 +14,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-10-13 13:02+0000\n" "Last-Translator: nicola zanna \n" "Language-Team: Italian 1" @@ -7924,6 +7916,9 @@ msgstr "" "primes2h@ubuntu.com,vito.fasano@gmail.com,mcarlo.95@gmail.com,,," "lexluxsox@hotmail.it" +#~ msgid "Submit Calculation..." +#~ msgstr "Invia calcolo..." + #~ msgid "Other..." #~ msgstr "Altro..." diff --git a/i18n/ja.po b/i18n/ja.po index 949f131748..4cb036b0f2 100644 --- a/i18n/ja.po +++ b/i18n/ja.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-09-05 07:55+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Japanese 1" @@ -7766,6 +7759,12 @@ msgstr "" "com,,,,,avogadro-devel@lists.sourceforge.net,,ktns.87@gmail.com,ken." "i54k@gmail.com,,iwao.aoyama@gmail.com,," +#~ msgid "Help..." +#~ msgstr "ヘルプ..." + +#~ msgid "Save File..." +#~ msgstr "ファイルの保存" + #~ msgid "Other..." #~ msgstr "その他..." diff --git a/i18n/ka.po b/i18n/ka.po index 1ec19410bd..d2fca9d677 100644 --- a/i18n/ka.po +++ b/i18n/ka.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.95.1\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-11-10 06:36+0000\n" "Last-Translator: Temuri Doghonadze \n" "Language-Team: Georgian 1" @@ -7420,6 +7415,15 @@ msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "Temuri.doghonadze@gmail.com" +#~ msgid "Help..." +#~ msgstr "დახმარება..." + +#~ msgid "Save File..." +#~ msgstr "ფაილის შენახვა..." + +#~ msgid "Download Plugins..." +#~ msgstr "დამატებების გადმოწერა…" + #~ msgid "Other..." #~ msgstr "სხვები…" diff --git a/i18n/kn.po b/i18n/kn.po index f7146981d5..7a1d1a5b2e 100644 --- a/i18n/kn.po +++ b/i18n/kn.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-07-02 10:48+0000\n" "Last-Translator: Ajith \n" "Language-Team: Kannada 1" diff --git a/i18n/ko.po b/i18n/ko.po index 66d14f35a6..7bab5342a0 100644 --- a/i18n/ko.po +++ b/i18n/ko.po @@ -8,7 +8,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-10-07 12:12+0000\n" "Last-Translator: Hoseok Seo \n" "Language-Team: Korean 1" @@ -7703,6 +7698,21 @@ msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "loniedavid@gmail.com, an6207@gmail.com" +#~ msgid "Help..." +#~ msgstr "도움말..." + +#~ msgid "Submit Calculation..." +#~ msgstr "계산 제출..." + +#~ msgid "Save File..." +#~ msgstr "파일 저장..." + +#~ msgid "Download Plugins..." +#~ msgstr "플러그인 다운로드..." + +#~ msgid "Record Movie..." +#~ msgstr "동영상 녹화..." + #~ msgid "Other..." #~ msgstr "기타..." diff --git a/i18n/ms.po b/i18n/ms.po index 456ecef052..83bde9f932 100644 --- a/i18n/ms.po +++ b/i18n/ms.po @@ -8,7 +8,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2021-04-04 15:26+0000\n" "Last-Translator: Kazuki278 \n" "Language-Team: Malay 1" diff --git a/i18n/nb.po b/i18n/nb.po index 884fcad2e4..5e851960b3 100644 --- a/i18n/nb.po +++ b/i18n/nb.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-04-27 21:50+0000\n" "Last-Translator: Allan Nordhøy \n" "Language-Team: Norwegian Bokmål 1" @@ -7731,6 +7725,9 @@ msgstr "" "epost@anotheragency.no, anders.oftedal@gmail.com, simen@simenh.com, " "simenheg@gmail.com, sol-moe@online.no" +#~ msgid "Download Plugins..." +#~ msgstr "Laster ned programtillegg …" + #~ msgid "S&erver" #~ msgstr "T&jener" diff --git a/i18n/nl.po b/i18n/nl.po index 80694ad4a7..6699b0ea6c 100644 --- a/i18n/nl.po +++ b/i18n/nl.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2022-10-14 10:56+0000\n" "Last-Translator: Koen Roggemans \n" "Language-Team: Dutch 1" diff --git a/i18n/oc.po b/i18n/oc.po index df5c085d61..4a875a84de 100644 --- a/i18n/oc.po +++ b/i18n/oc.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2016-06-10 06:57+0000\n" "Last-Translator: Cédric VALMARY (Tot en òc) \n" "Language-Team: Occitan (post 1500) \n" @@ -3872,7 +3872,9 @@ msgstr "" msgid "Dynamic bonding?" msgstr "" -#: qtplugins/playertool/playertool.cpp:139 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 +#. i18n: ectx: property (text), widget (QPushButton, recordButton) +#: qtplugins/playertool/playertool.cpp:139:1684 msgid "Record Movie…" msgstr "" @@ -4025,7 +4027,9 @@ msgstr "" msgid "Error while extracting: %1" msgstr "" -#: qtplugins/plugindownloader/plugindownloader.cpp:27 +#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) +#: qtplugins/plugindownloader/plugindownloader.cpp:27:1540 msgid "Download Plugins…" msgstr "" @@ -5042,6 +5046,10 @@ msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" @@ -5375,7 +5383,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) -msgid "Help..." +msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 @@ -5412,19 +5420,13 @@ msgstr "" msgid "Defaults" msgstr "Valors per defaut" -#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -msgid "Submit Calculation..." -msgstr "" - #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Save File..." -msgstr "" +#, fuzzy +msgid "Save File…" +msgstr "Enregistrar lo fichièr vidèo" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) @@ -6517,7 +6519,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Generate..." +msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 @@ -7150,11 +7152,6 @@ msgstr "" msgid "Max 2*theta:" msgstr "" -#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) -msgid "Download Plugins..." -msgstr "" - #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" @@ -7309,11 +7306,6 @@ msgstr "Estronci" msgid "Calculate" msgstr "Calcular" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 -#. i18n: ectx: property (text), widget (QPushButton, recordButton) -msgid "Record Movie..." -msgstr "" - #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" diff --git a/i18n/pl.po b/i18n/pl.po index 1a506852d9..440c82152d 100644 --- a/i18n/pl.po +++ b/i18n/pl.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-06-20 10:49+0000\n" "Last-Translator: Jakub Brzeski \n" "Language-Team: Polish 1" diff --git a/i18n/pt.po b/i18n/pt.po index 91d5adbdde..77d99d0d93 100644 --- a/i18n/pt.po +++ b/i18n/pt.po @@ -12,7 +12,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-01-11 10:11+0000\n" "Last-Translator: ssantos \n" "Language-Team: Portuguese 1" @@ -8086,6 +8081,18 @@ msgstr "" "pt,,,,,avogadro-devel@lists.sourceforge.net,david.rodrigues@gmail.com,,," "ivoxavier.8@gmail.com,manuel.n.silva@gmail.com,,,,,,danielagostinho@sapo.pt" +#~ msgid "Help..." +#~ msgstr "Ajuda..." + +#~ msgid "Submit Calculation..." +#~ msgstr "Submeter Cálculo..." + +#~ msgid "Save File..." +#~ msgstr "Gravar Ficheiro..." + +#~ msgid "Record Movie..." +#~ msgstr "Gravar Vídeo..." + #~ msgid "Other..." #~ msgstr "Outro..." diff --git a/i18n/pt_BR.po b/i18n/pt_BR.po index b2c33f39b8..1a2412516a 100644 --- a/i18n/pt_BR.po +++ b/i18n/pt_BR.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2022-11-27 00:47+0000\n" "Last-Translator: Gustavo Sousa Jr \n" "Language-Team: Portuguese (Brazil) 1" @@ -8073,6 +8068,18 @@ msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "Seus e-mails" +#~ msgid "Help..." +#~ msgstr "Ajuda..." + +#~ msgid "Submit Calculation..." +#~ msgstr "Submeter Cálculo..." + +#~ msgid "Save File..." +#~ msgstr "Salvar Arquivo..." + +#~ msgid "Record Movie..." +#~ msgstr "Gravar Vídeo..." + #~ msgid "Other..." #~ msgstr "Outro..." diff --git a/i18n/ro.po b/i18n/ro.po index 871e03bc51..c0e3e0175e 100644 --- a/i18n/ro.po +++ b/i18n/ro.po @@ -6,7 +6,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2021-02-13 01:19+0000\n" "Last-Translator: Irina Puscas \n" "Language-Team: Romanian 1" diff --git a/i18n/ru.po b/i18n/ru.po index 120538d73d..561ae91e55 100644 --- a/i18n/ru.po +++ b/i18n/ru.po @@ -16,7 +16,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-11-03 21:33+0000\n" "Last-Translator: Ivanushka \n" "Language-Team: Russian 1" diff --git a/i18n/sa.po b/i18n/sa.po index de0351ba70..1dfb1cedbf 100644 --- a/i18n/sa.po +++ b/i18n/sa.po @@ -6,7 +6,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.93.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2021-06-01 14:30+0000\n" "Last-Translator: rahul bahuguna \n" "Language-Team: Sanskrit 1" diff --git a/i18n/sk.po b/i18n/sk.po index a08b2961d2..0adf74cd3f 100644 --- a/i18n/sk.po +++ b/i18n/sk.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2016-06-10 06:52+0000\n" "Last-Translator: Avogadro Team \n" "Language-Team: Slovak \n" @@ -3875,7 +3875,9 @@ msgstr "" msgid "Dynamic bonding?" msgstr "" -#: qtplugins/playertool/playertool.cpp:139 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 +#. i18n: ectx: property (text), widget (QPushButton, recordButton) +#: qtplugins/playertool/playertool.cpp:139:1684 msgid "Record Movie…" msgstr "" @@ -4028,7 +4030,9 @@ msgstr "" msgid "Error while extracting: %1" msgstr "" -#: qtplugins/plugindownloader/plugindownloader.cpp:27 +#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) +#: qtplugins/plugindownloader/plugindownloader.cpp:27:1540 msgid "Download Plugins…" msgstr "" @@ -5041,6 +5045,10 @@ msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" @@ -5371,7 +5379,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) -msgid "Help..." +msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 @@ -5408,19 +5416,13 @@ msgstr "Obnoviť Všetko" msgid "Defaults" msgstr "Predvolené" -#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -msgid "Submit Calculation..." -msgstr "" - #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Save File..." -msgstr "" +#, fuzzy +msgid "Save File…" +msgstr "Uložiť video súbor" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) @@ -6509,7 +6511,7 @@ msgstr "Použite formulár" #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Generate..." +msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 @@ -7137,11 +7139,6 @@ msgstr "" msgid "Max 2*theta:" msgstr "" -#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) -msgid "Download Plugins..." -msgstr "" - #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" @@ -7293,11 +7290,6 @@ msgstr "Stroncium" msgid "Calculate" msgstr "Vypočítať" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 -#. i18n: ectx: property (text), widget (QPushButton, recordButton) -msgid "Record Movie..." -msgstr "" - #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" diff --git a/i18n/sl.po b/i18n/sl.po index 187058748d..47ff9d3c9e 100644 --- a/i18n/sl.po +++ b/i18n/sl.po @@ -8,7 +8,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2016-06-10 06:51+0000\n" "Last-Translator: Matej Urbančič \n" "Language-Team: Slovenian \n" @@ -4019,7 +4019,9 @@ msgstr "" msgid "Dynamic bonding?" msgstr "Dinamične vezi" -#: qtplugins/playertool/playertool.cpp:139 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 +#. i18n: ectx: property (text), widget (QPushButton, recordButton) +#: qtplugins/playertool/playertool.cpp:139:1684 msgid "Record Movie…" msgstr "" @@ -4172,7 +4174,9 @@ msgstr "" msgid "Error while extracting: %1" msgstr "" -#: qtplugins/plugindownloader/plugindownloader.cpp:27 +#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) +#: qtplugins/plugindownloader/plugindownloader.cpp:27:1540 msgid "Download Plugins…" msgstr "" @@ -5237,6 +5241,10 @@ msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) #, fuzzy #| msgid "Calculation:" msgid "Submit Calculation…" @@ -5573,7 +5581,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) -msgid "Help..." +msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 @@ -5610,19 +5618,13 @@ msgstr "Ponastavi vse" msgid "Defaults" msgstr "Privzeto" -#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -msgid "Submit Calculation..." -msgstr "" - #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Save File..." -msgstr "" +#, fuzzy +msgid "Save File…" +msgstr "Shrani datoteko posnetka" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) @@ -6707,7 +6709,7 @@ msgstr "Uporabi obrazec" #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Generate..." +msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 @@ -7337,11 +7339,6 @@ msgstr "" msgid "Max 2*theta:" msgstr "" -#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) -msgid "Download Plugins..." -msgstr "" - #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" @@ -7499,11 +7496,6 @@ msgstr "stroncij" msgid "Calculate" msgstr "Izračunaj" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 -#. i18n: ectx: property (text), widget (QPushButton, recordButton) -msgid "Record Movie..." -msgstr "" - #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" diff --git a/i18n/sq.po b/i18n/sq.po index 569ff7cb1b..7ccfc32be5 100644 --- a/i18n/sq.po +++ b/i18n/sq.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2021-06-16 17:34+0000\n" "Last-Translator: Dillon Schultz \n" "Language-Team: Albanian 1" diff --git a/i18n/sr.po b/i18n/sr.po index 45adb48b7e..6dc6369cb3 100644 --- a/i18n/sr.po +++ b/i18n/sr.po @@ -9,7 +9,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2021-08-20 01:04+0000\n" "Last-Translator: Nikola Matić \n" "Language-Team: Serbian 1" @@ -8218,6 +8213,21 @@ msgstr "" "\"miroslavnikolic@rocketmail.com\",\"ivanstar61@gmail.com\"," "\"nikolamatic225@gmail.com\"" +#~ msgid "Help..." +#~ msgstr "Pomoć..." + +#~ msgid "Submit Calculation..." +#~ msgstr "Predloži proračun ..." + +#~ msgid "Save File..." +#~ msgstr "Sačuvaj Datoteku..." + +#~ msgid "Download Plugins..." +#~ msgstr "Preuzmite dodatke ..." + +#~ msgid "Record Movie..." +#~ msgstr "Snimi film..." + #~ msgid "Other..." #~ msgstr "Drugo..." diff --git a/i18n/sv.po b/i18n/sv.po index 2297b99c02..16e96d06e4 100644 --- a/i18n/sv.po +++ b/i18n/sv.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2016-06-10 06:44+0000\n" "Last-Translator: Dostojevskji \n" "Language-Team: Swedish \n" @@ -3791,7 +3791,9 @@ msgstr "" msgid "Dynamic bonding?" msgstr "" -#: qtplugins/playertool/playertool.cpp:139 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 +#. i18n: ectx: property (text), widget (QPushButton, recordButton) +#: qtplugins/playertool/playertool.cpp:139:1684 msgid "Record Movie…" msgstr "" @@ -3943,7 +3945,9 @@ msgstr "" msgid "Error while extracting: %1" msgstr "" -#: qtplugins/plugindownloader/plugindownloader.cpp:27 +#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) +#: qtplugins/plugindownloader/plugindownloader.cpp:27:1540 msgid "Download Plugins…" msgstr "" @@ -4925,6 +4929,10 @@ msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" @@ -5253,7 +5261,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) -msgid "Help..." +msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 @@ -5290,18 +5298,11 @@ msgstr "" msgid "Defaults" msgstr "" -#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -msgid "Submit Calculation..." -msgstr "" - #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Save File..." +msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 @@ -6377,7 +6378,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Generate..." +msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 @@ -7006,11 +7007,6 @@ msgstr "" msgid "Max 2*theta:" msgstr "" -#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) -msgid "Download Plugins..." -msgstr "" - #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" @@ -7157,11 +7153,6 @@ msgstr "Strontium" msgid "Calculate" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 -#. i18n: ectx: property (text), widget (QPushButton, recordButton) -msgid "Record Movie..." -msgstr "" - #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" diff --git a/i18n/ta.po b/i18n/ta.po index 34a52de3b4..43b328b499 100644 --- a/i18n/ta.po +++ b/i18n/ta.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: Automatically generated\n" "Language-Team: none\n" @@ -3707,7 +3707,9 @@ msgstr "" msgid "Dynamic bonding?" msgstr "" -#: qtplugins/playertool/playertool.cpp:139 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 +#. i18n: ectx: property (text), widget (QPushButton, recordButton) +#: qtplugins/playertool/playertool.cpp:139:1684 msgid "Record Movie…" msgstr "" @@ -3859,7 +3861,9 @@ msgstr "" msgid "Error while extracting: %1" msgstr "" -#: qtplugins/plugindownloader/plugindownloader.cpp:27 +#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) +#: qtplugins/plugindownloader/plugindownloader.cpp:27:1540 msgid "Download Plugins…" msgstr "" @@ -4786,6 +4790,10 @@ msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" @@ -5111,7 +5119,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) -msgid "Help..." +msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 @@ -5148,18 +5156,11 @@ msgstr "" msgid "Defaults" msgstr "" -#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -msgid "Submit Calculation..." -msgstr "" - #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Save File..." +msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 @@ -6231,7 +6232,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Generate..." +msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 @@ -6855,11 +6856,6 @@ msgstr "" msgid "Max 2*theta:" msgstr "" -#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) -msgid "Download Plugins..." -msgstr "" - #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" @@ -7004,11 +7000,6 @@ msgstr "" msgid "Calculate" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 -#. i18n: ectx: property (text), widget (QPushButton, recordButton) -msgid "Record Movie..." -msgstr "" - #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" diff --git a/i18n/te.po b/i18n/te.po index ee66a9ada6..cb48dbeb3e 100644 --- a/i18n/te.po +++ b/i18n/te.po @@ -6,7 +6,7 @@ msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-10-11 16:27+0000\n" "Last-Translator: Balavamsi Krishna \n" "Language-Team: Telugu 1" diff --git a/i18n/th.po b/i18n/th.po index b8a65b162d..6758bfd767 100644 --- a/i18n/th.po +++ b/i18n/th.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2016-06-10 06:42+0000\n" "Last-Translator: Rockworld \n" "Language-Team: Thai \n" @@ -3709,7 +3709,9 @@ msgstr "" msgid "Dynamic bonding?" msgstr "" -#: qtplugins/playertool/playertool.cpp:139 +#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 +#. i18n: ectx: property (text), widget (QPushButton, recordButton) +#: qtplugins/playertool/playertool.cpp:139:1684 msgid "Record Movie…" msgstr "" @@ -3861,7 +3863,9 @@ msgstr "" msgid "Error while extracting: %1" msgstr "" -#: qtplugins/plugindownloader/plugindownloader.cpp:27 +#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 +#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) +#: qtplugins/plugindownloader/plugindownloader.cpp:27:1540 msgid "Download Plugins…" msgstr "" @@ -4788,6 +4792,10 @@ msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) +#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 +#. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" @@ -5113,7 +5121,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) -msgid "Help..." +msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 @@ -5150,18 +5158,11 @@ msgstr "" msgid "Defaults" msgstr "" -#. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -#. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 -#. i18n: ectx: property (text), widget (QPushButton, computeButton) -msgid "Submit Calculation..." -msgstr "" - #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Save File..." +msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 @@ -6233,7 +6234,7 @@ msgstr "" #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -msgid "Generate..." +msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 @@ -6857,11 +6858,6 @@ msgstr "" msgid "Max 2*theta:" msgstr "" -#. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 -#. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) -msgid "Download Plugins..." -msgstr "" - #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" @@ -7006,11 +7002,6 @@ msgstr "" msgid "Calculate" msgstr "" -#. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 -#. i18n: ectx: property (text), widget (QPushButton, recordButton) -msgid "Record Movie..." -msgstr "" - #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" diff --git a/i18n/tr.po b/i18n/tr.po index 24dfe62dd6..e5e415f034 100644 --- a/i18n/tr.po +++ b/i18n/tr.po @@ -13,7 +13,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-05-20 18:51+0000\n" "Last-Translator: Hıncal Gökhan BAKIR \n" "Language-Team: Turkish 1" @@ -7815,6 +7810,9 @@ msgstr "" "ciftci@linux.org.tr,,,,,kudretemre@hotmail.com,apshalasha@gmail.com,rainman." "neu@gmail.com,para4360@gmail.com,,ytopcu@gmail.com,,hhaydarakdag@gmail.com," +#~ msgid "Record Movie..." +#~ msgstr "Film Kaydet..." + #, fuzzy #~| msgid "Other…" #~ msgid "Other..." diff --git a/i18n/ug.po b/i18n/ug.po index 3b0bc41143..555c4aef31 100644 --- a/i18n/ug.po +++ b/i18n/ug.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2021-10-14 18:33+0000\n" "Last-Translator: ejatjon amar <3395087980@qq.com>\n" "Language-Team: Uyghur 1" diff --git a/i18n/uk.po b/i18n/uk.po index ebdce21a18..b84eeafce5 100644 --- a/i18n/uk.po +++ b/i18n/uk.po @@ -10,7 +10,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2022-07-05 23:51+0000\n" "Last-Translator: Artem \n" "Language-Team: Ukrainian 1" diff --git a/i18n/vi.po b/i18n/vi.po index 259c1dc353..7c680de043 100644 --- a/i18n/vi.po +++ b/i18n/vi.po @@ -8,7 +8,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2022-11-27 00:47+0000\n" "Last-Translator: Minh P \n" "Language-Team: Vietnamese 1" diff --git a/i18n/zh_CN.po b/i18n/zh_CN.po index e7119440d9..3e84ba550e 100644 --- a/i18n/zh_CN.po +++ b/i18n/zh_CN.po @@ -11,7 +11,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2023-02-16 16:36+0000\n" "Last-Translator: Shusong Zhang \n" "Language-Team: Chinese (Simplified) 1" @@ -7906,6 +7898,9 @@ msgstr "" "chaofeng111@gmail.com,,,,allen19920930@gmail.com,skyxxzc@gmail.com," "cuiweicui1985@gmail.com,,yjjart@gmail.com,sihanzheng@gmail.com" +#~ msgid "Submit Calculation..." +#~ msgstr "提交计算..." + #~ msgid "Other..." #~ msgstr "其它..." diff --git a/i18n/zh_TW.po b/i18n/zh_TW.po index 37beb6989f..4ae12d7cba 100644 --- a/i18n/zh_TW.po +++ b/i18n/zh_TW.po @@ -7,7 +7,7 @@ msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" -"POT-Creation-Date: 2023-11-19 14:57+0000\n" +"POT-Creation-Date: 2023-11-19 16:50+0000\n" "PO-Revision-Date: 2021-01-25 09:32+0000\n" "Last-Translator: crlambda \n" "Language-Team: Chinese (Traditional) 1" From a68636acd89f3e283ec49c644761e8a51d6e89c7 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 21 Nov 2023 13:43:18 -0500 Subject: [PATCH 153/186] Don't show PNG files in the filter dialog Signed-off-by: Geoff Hutchison --- avogadro/qtgui/sortfiltertreeproxymodel.cpp | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/avogadro/qtgui/sortfiltertreeproxymodel.cpp b/avogadro/qtgui/sortfiltertreeproxymodel.cpp index 7eb1a07572..54786153f5 100644 --- a/avogadro/qtgui/sortfiltertreeproxymodel.cpp +++ b/avogadro/qtgui/sortfiltertreeproxymodel.cpp @@ -23,6 +23,11 @@ bool SortFilterTreeProxyModel::filterAcceptsRow( return true; // true root, always accept } + QString data = sourceModel()->data(sourceIndex).toString(); + // ignore any image files + if (data.endsWith(".png")) + return false; + // Now we see if we're a child of the root // If not, we accept -- only filter under *our* tree // Along the way, we'll see if a parent matches the filter @@ -48,7 +53,6 @@ bool SortFilterTreeProxyModel::filterAcceptsRow( // else, sourceParent is a root, so we're good to filter // Check if the data for this row matches. If so, the default is to accept - QString data = sourceModel()->data(sourceIndex).toString(); if (data.contains(filterRegExp())) return true; From af234bf30d6e2714ce0908cb2a7a49db898a5d6b Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Fri, 24 Nov 2023 11:29:51 -0500 Subject: [PATCH 154/186] Add support for "message" return to pop up a dialog Signed-off-by: Geoff Hutchison --- avogadro/qtgui/interfacescript.cpp | 33 ++++++++++++++++++++++++++---- 1 file changed, 29 insertions(+), 4 deletions(-) diff --git a/avogadro/qtgui/interfacescript.cpp b/avogadro/qtgui/interfacescript.cpp index 2e01d793ef..d5737cbe70 100644 --- a/avogadro/qtgui/interfacescript.cpp +++ b/avogadro/qtgui/interfacescript.cpp @@ -21,6 +21,8 @@ #include #include +#include + namespace Avogadro::QtGui { using QtGui::GenericHighlighter; @@ -271,6 +273,25 @@ bool InterfaceScript::processCommand(Core::Molecule* mol) } guiMol->emitChanged(Molecule::Atoms); } + + // check if there are messages for the user + if (obj.contains("message")) { + QString message; + + if (obj["message"].isString()) + message = obj["message"].toString(); + else if (obj["message"].isArray()) { + QJsonArray messageList = obj["message"].toArray(); + for (int i = 0; i < messageList.size(); ++i) { + if (messageList[i].isString()) + message += messageList[i].toString() + "\n"; + } + } + if (!message.isEmpty()) { + QMessageBox::information(qobject_cast(parent()), + tr("%1 Message").arg(m_displayName), message); + } + } } return result; } @@ -505,9 +526,11 @@ bool InterfaceScript::insertMolecule(QJsonObject& json, Io::FileFormatManager& formats = Io::FileFormatManager::instance(); QScopedPointer format( formats.newFormatFromFileExtension(m_moleculeExtension.toStdString())); - QScopedPointer cjsonFormat(formats.newFormatFromFileExtension("cjson")); + QScopedPointer cjsonFormat( + formats.newFormatFromFileExtension("cjson")); - // If we want something *other* than CJSON, check that we can supply that format + // If we want something *other* than CJSON, check that we can supply that + // format if (format.isNull()) { m_errors << tr("Error writing molecule representation to string: " "Unrecognized file format: %1") @@ -522,12 +545,14 @@ bool InterfaceScript::insertMolecule(QJsonObject& json, return false; } + // if we need a different format, insert it if (m_moleculeExtension != QLatin1String("cjson")) { json.insert(m_moleculeExtension, QJsonValue(QString::fromStdString(str))); } - // And we *always* write the CJSON representation - // Embed CJSON as actual JSON, rather than a string, so we have to parse it again + // We will *always* write the CJSON representation + // Embed CJSON as actual JSON, rather than a string, + // .. so we'll have to re-parse it cjsonFormat->writeString(str, mol); QJsonParseError error; QJsonDocument doc = QJsonDocument::fromJson(str.c_str(), &error); From 609884b3daca88d11dc367234e1c2614828eee77 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sat, 25 Nov 2023 09:52:23 -0500 Subject: [PATCH 155/186] Add support for saving partial charges Signed-off-by: Geoff Hutchison --- avogadro/io/cjsonformat.cpp | 14 ++++++++++++++ 1 file changed, 14 insertions(+) diff --git a/avogadro/io/cjsonformat.cpp b/avogadro/io/cjsonformat.cpp index aa73d5e6cb..fb578b55fc 100644 --- a/avogadro/io/cjsonformat.cpp +++ b/avogadro/io/cjsonformat.cpp @@ -915,6 +915,20 @@ bool CjsonFormat::serialize(std::ostream& file, const Molecule& molecule, if (hasCustomColors) root["atoms"]["colors"] = colors; + // check for partial charges + auto partialCharges = molecule.partialChargeTypes(); + if (!partialCharges.empty()) { + // add them to the atoms object + for (const auto& type : partialCharges) { + MatrixX chargesMatrix = molecule.partialCharges(type); + json charges; + for (Index i = 0; i < molecule.atomCount(); ++i) { + charges.push_back(chargesMatrix(i, 0)); + } + root["atoms"]["partialCharges"][type] = charges; + } + } + // 3d positions: if (molecule.atomPositions3d().size() == molecule.atomCount()) { // everything gets real-space Cartesians From e2980fa5867d6ef543e7a5720e478199bc5a97bc Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sat, 25 Nov 2023 11:42:34 -0500 Subject: [PATCH 156/186] Ensure partial charges are read and retained Signed-off-by: Geoff Hutchison --- avogadro/io/cjsonformat.cpp | 30 +++++++++++++++--------------- 1 file changed, 15 insertions(+), 15 deletions(-) diff --git a/avogadro/io/cjsonformat.cpp b/avogadro/io/cjsonformat.cpp index fb578b55fc..2d2363487b 100644 --- a/avogadro/io/cjsonformat.cpp +++ b/avogadro/io/cjsonformat.cpp @@ -214,21 +214,6 @@ bool CjsonFormat::deserialize(std::istream& file, Molecule& molecule, } } - // Partial charges are optional, but if present should be loaded. - json partialCharges = atoms["partialCharges"]; - if (partialCharges.is_object()) { - // keys are types, values are arrays of charges - for (auto& kv : partialCharges.items()) { - MatrixX charges(atomCount, 1); - if (isNumericArray(kv.value()) && kv.value().size() == atomCount) { - for (size_t i = 0; i < kv.value().size(); ++i) { - charges(i, 0) = kv.value()[i]; - } - molecule.setPartialCharges(kv.key(), charges); - } - } - } - // Bonds are optional, but if present should be loaded. json bonds = jsonRoot["bonds"]; if (bonds.is_object() && isNumericArray(bonds["connections"]["index"])) { @@ -609,6 +594,21 @@ bool CjsonFormat::deserialize(std::istream& file, Molecule& molecule, } } + // Partial charges are optional, but if present should be loaded. + json partialCharges = atoms["partialCharges"]; + if (partialCharges.is_object()) { + // keys are types, values are arrays of charges + for (auto& kv : partialCharges.items()) { + MatrixX charges(atomCount, 1); + if (isNumericArray(kv.value()) && kv.value().size() == atomCount) { + for (size_t i = 0; i < kv.value().size(); ++i) { + charges(i, 0) = kv.value()[i]; + } + molecule.setPartialCharges(kv.key(), charges); + } + } + } + if (jsonRoot.find("layer") != jsonRoot.end()) { auto names = LayerManager::getMoleculeInfo(&molecule); json visible = jsonRoot["layer"]["visible"]; From 36a38e41b287819c997a537b0fd7d55f4c387b33 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sat, 25 Nov 2023 12:22:51 -0500 Subject: [PATCH 157/186] Fix empty window showing up for commands without an option dialog Thanks to the forum for reporting Signed-off-by: Geoff Hutchison --- avogadro/qtgui/jsonwidget.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/avogadro/qtgui/jsonwidget.cpp b/avogadro/qtgui/jsonwidget.cpp index 424c85444e..78abdb1303 100644 --- a/avogadro/qtgui/jsonwidget.cpp +++ b/avogadro/qtgui/jsonwidget.cpp @@ -32,7 +32,7 @@ namespace Avogadro::QtGui { JsonWidget::JsonWidget(QWidget* parent_) : QWidget(parent_), m_molecule(nullptr), m_currentLayout(nullptr), - m_centralWidget(nullptr) + m_centralWidget(nullptr), m_empty(true), m_batchMode(false) { } From dd3ef4e51d514aaf02954f4321dfc8a7f81368d6 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sat, 25 Nov 2023 20:16:32 -0500 Subject: [PATCH 158/186] Fix commands - rotate uses degrees, so no need to pre-convert Needs fix from avogadroapp as well Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/navigator/navigator.cpp | 22 +++++++++------------- 1 file changed, 9 insertions(+), 13 deletions(-) diff --git a/avogadro/qtplugins/navigator/navigator.cpp b/avogadro/qtplugins/navigator/navigator.cpp index cd55a466c5..331aaf2a86 100644 --- a/avogadro/qtplugins/navigator/navigator.cpp +++ b/avogadro/qtplugins/navigator/navigator.cpp @@ -59,35 +59,31 @@ void Navigator::registerCommands() bool Navigator::handleCommand(const QString& command, const QVariantMap& options) { - qDebug() << "Navigator::handleCommand: " << command; - qDebug() << (m_renderer == nullptr); - qDebug() << (m_glWidget == nullptr); - qDebug() << (m_molecule == nullptr); - if (m_renderer == nullptr) return false; // No camera if (command == "rotateScene") { - float x = options.value("x").toFloat() * DEG_TO_RAD; - float y = options.value("y").toFloat() * DEG_TO_RAD; - float z = options.value("z").toFloat() * DEG_TO_RAD; + float x = options.value("x").toFloat(); + float y = options.value("y").toFloat(); + float z = options.value("z").toFloat(); rotate(m_renderer->camera().focus(), x, y, z); + m_glWidget->requestUpdate(); - qDebug() << "rotateScene: " << x << y << z; - return true; } else if (command == "zoomScene") { float d = options.value("delta").toFloat(); zoom(m_renderer->camera().focus(), d); m_glWidget->requestUpdate(); - return true; } else if (command == "translateScene") { float x = options.value("x").toFloat(); float y = options.value("y").toFloat(); translate(m_renderer->camera().focus(), x, y); m_glWidget->requestUpdate(); - return true; + } else { + qDebug() << "Unknown command: " << command; + return false; } - return false; + + return true; } Navigator::~Navigator() {} From a96a1acfdf4dbed4fb81cc682734f25e22225494 Mon Sep 17 00:00:00 2001 From: gallegonovato Date: Sun, 19 Nov 2023 17:11:52 +0000 Subject: [PATCH 159/186] Translated using Weblate (Spanish) Currently translated at 100.0% (1469 of 1469 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/es/ --- i18n/es.po | 10 +++------- 1 file changed, 3 insertions(+), 7 deletions(-) diff --git a/i18n/es.po b/i18n/es.po index 18fb0db457..5a062b1c31 100644 --- a/i18n/es.po +++ b/i18n/es.po @@ -14,7 +14,7 @@ msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-11-19 16:50+0000\n" -"PO-Revision-Date: 2023-11-19 16:57+0000\n" +"PO-Revision-Date: 2023-11-20 18:03+0000\n" "Last-Translator: gallegonovato \n" "Language-Team: Spanish \n" @@ -5387,7 +5387,7 @@ msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" -msgstr "" +msgstr "Auxilio…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) @@ -5427,10 +5427,8 @@ msgstr "Predeterminados" #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -#, fuzzy -#| msgid "Save File" msgid "Save File…" -msgstr "Guardar Archivo" +msgstr "Guardar el archivo…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) @@ -6533,8 +6531,6 @@ msgstr "Utilizar Formulario" #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) -#, fuzzy -#| msgid "Generate..." msgid "Generate…" msgstr "Generar…" From ad7fd3f8c588edf3d00961daf81861712fea578e Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sat, 25 Nov 2023 22:32:28 -0500 Subject: [PATCH 160/186] [skip-ci] Fix linear template Fix #1469 - 1-lin.cjson wasn't valid JSON Signed-off-by: Geoff Hutchison --- .../templatetool/centers/1-lin.cjson | 20 +++++++++---------- 1 file changed, 10 insertions(+), 10 deletions(-) diff --git a/avogadro/qtplugins/templatetool/centers/1-lin.cjson b/avogadro/qtplugins/templatetool/centers/1-lin.cjson index b9e8304677..b83addc66f 100644 --- a/avogadro/qtplugins/templatetool/centers/1-lin.cjson +++ b/avogadro/qtplugins/templatetool/centers/1-lin.cjson @@ -1,21 +1,22 @@ { + "chemicalJson": 1, "atoms": { "coords": { "3d": [ - -2.3474931716918945, - 0.4155503213405609, - -3.9696692510915454e-07, - -2.2536088043600566, - 1.283863887971495, - -1.2275600077714488 + -0.21242, + 0.76221, + 0.0, + 1.78758, + 0.76221, + 0.0 ] }, "elements": { "number": [ - 77, + 26, 1 ] - }, + } }, "bonds": { "connections": { @@ -27,6 +28,5 @@ "order": [ 1 ] - }, - "chemicalJson": 1 + } } From 01a141338e5c98ef29cb7710f182eeb6a102a00c Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sun, 26 Nov 2023 22:18:39 -0500 Subject: [PATCH 161/186] Add readProperties method for copying basis, etc. but not atoms Signed-off-by: Geoff Hutchison --- avogadro/core/molecule.cpp | 34 ++++++++++++++++++++++++++++++++++ avogadro/core/molecule.h | 7 +++++++ 2 files changed, 41 insertions(+) diff --git a/avogadro/core/molecule.cpp b/avogadro/core/molecule.cpp index 3b0484cb87..01541ac0cc 100644 --- a/avogadro/core/molecule.cpp +++ b/avogadro/core/molecule.cpp @@ -9,6 +9,7 @@ #include "color3f.h" #include "cube.h" #include "elements.h" +#include "gaussianset.h" #include "layermanager.h" #include "mdlvalence_p.h" #include "mesh.h" @@ -74,6 +75,39 @@ Molecule::Molecule(const Molecule& other) } } +void Molecule::readProperties(const Molecule& other) +{ + m_data = other.m_data; + m_partialCharges = other.m_partialCharges; + m_label = other.m_label; + m_colors = other.m_colors; + + // copy orbital information + GaussianSet *gaussianSet = dynamic_cast(other.m_basisSet); + if (gaussianSet) { + m_basisSet = gaussianSet->clone(); + m_basisSet->setMolecule(this); + } + + // copy spectra information + m_vibrationFrequencies = other.m_vibrationFrequencies; + m_vibrationIRIntensities = other.m_vibrationIRIntensities; + m_vibrationRamanIntensities = other.m_vibrationRamanIntensities; + m_vibrationLx = other.m_vibrationLx; + + // Copy over any meshes + for (Index i = 0; i < other.meshCount(); ++i) { + Mesh* m = addMesh(); + *m = *other.mesh(i); + } + + // Copy over any cubes + for (Index i = 0; i < other.cubeCount(); ++i) { + Cube* c = addCube(); + *c = *other.cube(i); + } +} + Molecule::Molecule(Molecule&& other) noexcept : m_data(other.m_data), m_partialCharges(std::move(other.m_partialCharges)), m_customElementMap(std::move(other.m_customElementMap)), diff --git a/avogadro/core/molecule.h b/avogadro/core/molecule.h index b4c61297d3..91797875b4 100644 --- a/avogadro/core/molecule.h +++ b/avogadro/core/molecule.h @@ -73,6 +73,13 @@ class AVOGADROCORE_EXPORT Molecule /** Destroys the molecule object. */ virtual ~Molecule(); + /** + * Adds the properties from the supplied + * molecule to this molecule. Does not otherwise + * modify atoms / bonds / residues, etc. + */ + void readProperties(const Molecule& other); + /** Sets the data value with @p name to @p value. */ void setData(const std::string& name, const Variant& value); From baafcc35998bd0dc7318810731381e6b7d7104ee Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sun, 26 Nov 2023 22:19:13 -0500 Subject: [PATCH 162/186] Use readProperties from scripts Doesn't completely work, since extensions need to know Signed-off-by: Geoff Hutchison --- avogadro/qtgui/interfacescript.cpp | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) diff --git a/avogadro/qtgui/interfacescript.cpp b/avogadro/qtgui/interfacescript.cpp index d5737cbe70..c6163186aa 100644 --- a/avogadro/qtgui/interfacescript.cpp +++ b/avogadro/qtgui/interfacescript.cpp @@ -252,8 +252,12 @@ bool InterfaceScript::processCommand(Core::Molecule* mol) newMol.perceiveBondOrders(); } - // just append some new bits - if (obj["append"].toBool()) { + // how do we handle this result? + if (obj["readProperties"].toBool()) { + qDebug() << " reading properties"; + guiMol->readProperties(newMol); + guiMol->emitChanged(Molecule::Atoms); + } else if (obj["append"].toBool()) { guiMol->undoMolecule()->appendMolecule(newMol, m_displayName); } else { // replace the whole molecule Molecule::MoleculeChanges changes = (Molecule::Atoms | Molecule::Bonds | From 88d885a3f0e31a9d5a2e6cbf4cd6cc4d5a4c48dc Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sun, 26 Nov 2023 22:44:48 -0500 Subject: [PATCH 163/186] Fix formatting Signed-off-by: Geoff Hutchison --- avogadro/core/molecule.cpp | 33 ++++++++++++++++----------------- avogadro/core/molecule.h | 8 ++++---- 2 files changed, 20 insertions(+), 21 deletions(-) diff --git a/avogadro/core/molecule.cpp b/avogadro/core/molecule.cpp index 01541ac0cc..da5597d09e 100644 --- a/avogadro/core/molecule.cpp +++ b/avogadro/core/molecule.cpp @@ -83,7 +83,7 @@ void Molecule::readProperties(const Molecule& other) m_colors = other.m_colors; // copy orbital information - GaussianSet *gaussianSet = dynamic_cast(other.m_basisSet); + GaussianSet* gaussianSet = dynamic_cast(other.m_basisSet); if (gaussianSet) { m_basisSet = gaussianSet->clone(); m_basisSet->setMolecule(this); @@ -311,20 +311,20 @@ void Molecule::setFrozenAtom(Index atomId, bool frozen) return; // check if we need to resize - unsigned int size = m_frozenAtomMask.rows(); - if (m_frozenAtomMask.rows() != 3*m_atomicNumbers.size()) - m_frozenAtomMask.conservativeResize(3*m_atomicNumbers.size()); + unsigned int size = m_frozenAtomMask.rows(); + if (m_frozenAtomMask.rows() != 3 * m_atomicNumbers.size()) + m_frozenAtomMask.conservativeResize(3 * m_atomicNumbers.size()); // do we need to initialize new values? if (m_frozenAtomMask.rows() > size) for (unsigned int i = size; i < m_frozenAtomMask.rows(); ++i) m_frozenAtomMask[i] = 1.0; - + float value = frozen ? 0.0 : 1.0; if (atomId * 3 <= m_frozenAtomMask.rows() - 3) { - m_frozenAtomMask[atomId*3] = value; - m_frozenAtomMask[atomId*3+1] = value; - m_frozenAtomMask[atomId*3+2] = value; + m_frozenAtomMask[atomId * 3] = value; + m_frozenAtomMask[atomId * 3 + 1] = value; + m_frozenAtomMask[atomId * 3 + 2] = value; } } @@ -332,9 +332,9 @@ bool Molecule::frozenAtom(Index atomId) const { bool frozen = false; if (atomId * 3 <= m_frozenAtomMask.rows() - 3) { - frozen = (m_frozenAtomMask[atomId*3] == 0.0 && - m_frozenAtomMask[atomId*3+1] == 0.0 && - m_frozenAtomMask[atomId*3+2] == 0.0); + frozen = (m_frozenAtomMask[atomId * 3] == 0.0 && + m_frozenAtomMask[atomId * 3 + 1] == 0.0 && + m_frozenAtomMask[atomId * 3 + 2] == 0.0); } return frozen; } @@ -342,22 +342,21 @@ bool Molecule::frozenAtom(Index atomId) const void Molecule::setFrozenAtomAxis(Index atomId, int axis, bool frozen) { // check if we need to resize - unsigned int size = m_frozenAtomMask.rows(); - if (m_frozenAtomMask.rows() != 3*m_atomicNumbers.size()) - m_frozenAtomMask.conservativeResize(3*m_atomicNumbers.size()); + unsigned int size = m_frozenAtomMask.rows(); + if (m_frozenAtomMask.rows() != 3 * m_atomicNumbers.size()) + m_frozenAtomMask.conservativeResize(3 * m_atomicNumbers.size()); // do we need to initialize new values? if (m_frozenAtomMask.rows() > size) for (unsigned int i = size; i < m_frozenAtomMask.rows(); ++i) m_frozenAtomMask[i] = 1.0; - + float value = frozen ? 0.0 : 1.0; if (atomId * 3 <= m_frozenAtomMask.rows() - 3) { - m_frozenAtomMask[atomId*3 + axis] = value; + m_frozenAtomMask[atomId * 3 + axis] = value; } } - void Molecule::setData(const std::string& name, const Variant& value) { m_data.setValue(name, value); diff --git a/avogadro/core/molecule.h b/avogadro/core/molecule.h index 91797875b4..a242be6ed7 100644 --- a/avogadro/core/molecule.h +++ b/avogadro/core/molecule.h @@ -73,7 +73,7 @@ class AVOGADROCORE_EXPORT Molecule /** Destroys the molecule object. */ virtual ~Molecule(); - /** + /** * Adds the properties from the supplied * molecule to this molecule. Does not otherwise * modify atoms / bonds / residues, etc. @@ -702,12 +702,12 @@ class AVOGADROCORE_EXPORT Molecule /** * Freeze or unfreeze an atom for optimization - */ + */ void setFrozenAtom(Index atomId, bool frozen); /** * Get the frozen status of an atom - */ + */ bool frozenAtom(Index atomId) const; /** @@ -715,7 +715,7 @@ class AVOGADROCORE_EXPORT Molecule * @param atomId The index of the atom to modify. * @param axis The axis to freeze (0, 1, or 2 for X, Y, or Z) * @param frozen True to freeze, false to unfreeze - */ + */ void setFrozenAtomAxis(Index atomId, int axis, bool frozen); Eigen::VectorXd frozenAtomMask() const { return m_frozenAtomMask; } From 323086e566f3dfadd2ff59aa7b537341218508c2 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sun, 26 Nov 2023 22:45:03 -0500 Subject: [PATCH 164/186] Add property change flags and use them Signed-off-by: Geoff Hutchison --- avogadro/qtgui/interfacescript.cpp | 3 +-- avogadro/qtgui/molecule.h | 4 +++- 2 files changed, 4 insertions(+), 3 deletions(-) diff --git a/avogadro/qtgui/interfacescript.cpp b/avogadro/qtgui/interfacescript.cpp index c6163186aa..88195882fd 100644 --- a/avogadro/qtgui/interfacescript.cpp +++ b/avogadro/qtgui/interfacescript.cpp @@ -254,9 +254,8 @@ bool InterfaceScript::processCommand(Core::Molecule* mol) // how do we handle this result? if (obj["readProperties"].toBool()) { - qDebug() << " reading properties"; guiMol->readProperties(newMol); - guiMol->emitChanged(Molecule::Atoms); + guiMol->emitChanged(Molecule::Properties | Molecule::Added); } else if (obj["append"].toBool()) { guiMol->undoMolecule()->appendMolecule(newMol, m_displayName); } else { // replace the whole molecule diff --git a/avogadro/qtgui/molecule.h b/avogadro/qtgui/molecule.h index 9eb86ff981..816e77c538 100644 --- a/avogadro/qtgui/molecule.h +++ b/avogadro/qtgui/molecule.h @@ -73,6 +73,7 @@ class AVOGADROQTGUI_EXPORT Molecule : public QObject, public Core::Molecule UnitCell = 0x04, Selection = 0x08, Layers = 0x16, + Properties = 0x32, /** Operations that can affect the above types. */ Added = 0x1024, Removed = 0x2048, @@ -93,7 +94,8 @@ class AVOGADROQTGUI_EXPORT Molecule : public QObject, public Core::Molecule */ virtual AtomType addAtom(unsigned char atomicNumber, Index uniqueId); - AtomType addAtom(unsigned char number, Vector3 position3d, Index uniqueId = MaxIndex); + AtomType addAtom(unsigned char number, Vector3 position3d, + Index uniqueId = MaxIndex); /** * @brief Remove the specified atom from the molecule. From 55628fb746e570f6f94914639e01ad3c4359db05 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sun, 26 Nov 2023 22:45:25 -0500 Subject: [PATCH 165/186] Connect to molecule changes (e.g., in basis sets) Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/surfaces/surfaces.cpp | 16 ++++++++++++++++ avogadro/qtplugins/surfaces/surfaces.h | 1 + 2 files changed, 17 insertions(+) diff --git a/avogadro/qtplugins/surfaces/surfaces.cpp b/avogadro/qtplugins/surfaces/surfaces.cpp index 3aed3eaef7..375af870b8 100644 --- a/avogadro/qtplugins/surfaces/surfaces.cpp +++ b/avogadro/qtplugins/surfaces/surfaces.cpp @@ -224,6 +224,10 @@ bool Surfaces::handleCommand(const QString& command, const QVariantMap& options) void Surfaces::setMolecule(QtGui::Molecule* mol) { + if (m_molecule != nullptr) { + m_molecule->disconnect(this); + } + if (mol->basisSet()) { m_basis = mol->basisSet(); } else if (mol->cubes().size() != 0) { @@ -234,6 +238,18 @@ void Surfaces::setMolecule(QtGui::Molecule* mol) m_mesh1 = nullptr; m_mesh2 = nullptr; m_molecule = mol; + + if (m_molecule != nullptr) { + connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); + } +} + +void Surfaces::moleculeChanged(unsigned int changes) +{ + if (changes & Molecule::Added || changes & Molecule::Removed) { + m_cubes = m_molecule->cubes(); + m_basis = m_molecule->basisSet(); + } } QList Surfaces::actions() const diff --git a/avogadro/qtplugins/surfaces/surfaces.h b/avogadro/qtplugins/surfaces/surfaces.h index d25df78c11..ee476ca3da 100644 --- a/avogadro/qtplugins/surfaces/surfaces.h +++ b/avogadro/qtplugins/surfaces/surfaces.h @@ -85,6 +85,7 @@ class Surfaces : public QtGui::ExtensionPlugin public slots: bool handleCommand(const QString& command, const QVariantMap& options) override; + void moleculeChanged(unsigned int changes); private slots: void surfacesActivated(); From aa356fc5c362870a24b78834e1471919e1dec859 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sun, 26 Nov 2023 23:54:21 -0500 Subject: [PATCH 166/186] Write to a temporary file if no filename is available Solves problems reading "g98" from XTB scripts Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/openbabel/obfileformat.cpp | 27 ++++++++++++++++--- 1 file changed, 24 insertions(+), 3 deletions(-) diff --git a/avogadro/qtplugins/openbabel/obfileformat.cpp b/avogadro/qtplugins/openbabel/obfileformat.cpp index d0e6410340..5f6a582f5c 100644 --- a/avogadro/qtplugins/openbabel/obfileformat.cpp +++ b/avogadro/qtplugins/openbabel/obfileformat.cpp @@ -12,6 +12,7 @@ #include #include #include +#include #include using json = nlohmann::json; @@ -73,7 +74,8 @@ OBFileFormat::OBFileFormat(const std::string& name_, m_identifier(identifier_), m_name(name_), m_specificationUrl(specificationUrl_), m_defaultFormat(defaultFormat_), m_fileOnly(fileOnly_) -{} +{ +} OBFileFormat::~OBFileFormat() {} @@ -122,7 +124,6 @@ bool OBFileFormat::read(std::istream& in, Core::Molecule& molecule) // default is CML or CJSON QString format = QString::fromStdString(opts.value("format", m_defaultFormat)); - qDebug() << "Reading to format: " << format << m_defaultFormat.c_str(); if (!m_fileOnly) { // Determine length of data @@ -149,6 +150,26 @@ bool OBFileFormat::read(std::istream& in, Core::Molecule& molecule) } else { // Can only read files. Need absolute path. QString filename = QString::fromStdString(fileName()); + if (filename.isEmpty()) { + // no choice but to write to a temporary file + in.seekg(0, std::ios_base::end); + std::istream::pos_type length = in.tellg(); + in.seekg(0, std::ios_base::beg); + in.clear(); + + // Extract data, hope it's not big + QByteArray input; + input.resize(static_cast(length)); + in.read(input.data(), length); + + QTemporaryFile tmpFile; + tmpFile.setAutoRemove(false); + tmpFile.open(); + tmpFile.write(input.data()); + tmpFile.close(); + filename = tmpFile.fileName(); + } + if (!QFileInfo(filename).isAbsolute()) { appendError("Internal error -- filename must be absolute! " + filename.toStdString()); @@ -281,6 +302,6 @@ Io::FileFormat* OBFileFormat::newInstance() const m_defaultFormat, m_fileOnly); } -} // namespace Avogadro +} // namespace Avogadro::QtPlugins #include "obfileformat.moc" From a7248796650ed908a7e048d9fb5ef85999a3148b Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sun, 26 Nov 2023 23:55:01 -0500 Subject: [PATCH 167/186] Connect to the molecule changes that affect vibrations Probably should have been doing this anyway (e.g., edits) Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/spectra/spectra.cpp | 22 ++++++++++++++++++++++ avogadro/qtplugins/spectra/spectra.h | 1 + 2 files changed, 23 insertions(+) diff --git a/avogadro/qtplugins/spectra/spectra.cpp b/avogadro/qtplugins/spectra/spectra.cpp index d893d4e0be..d3e1341a7d 100644 --- a/avogadro/qtplugins/spectra/spectra.cpp +++ b/avogadro/qtplugins/spectra/spectra.cpp @@ -45,6 +45,9 @@ QStringList Spectra::menuPath(QAction*) const void Spectra::setMolecule(QtGui::Molecule* mol) { + if (m_molecule != nullptr) + m_molecule->disconnect(this); + bool isVibrational(false); if (mol->vibrationFrequencies().size()) isVibrational = true; @@ -56,6 +59,25 @@ void Spectra::setMolecule(QtGui::Molecule* mol) if (isVibrational) openDialog(); + + connect(m_molecule, SIGNAL(changed(unsigned int)), + SLOT(moleculeChanged(unsigned int))); +} + +void Spectra::moleculeChanged(unsigned int changes) +{ + if (m_molecule == nullptr) + return; + + bool currentVibrational = m_actions[0]->isEnabled(); + bool isVibrational = (m_molecule->vibrationFrequencies().size() > 0); + if (currentVibrational != isVibrational) { + m_actions[0]->setEnabled(isVibrational); + if (m_dialog) + m_dialog->setMolecule(m_molecule); // update the dialog + if (isVibrational) + openDialog(); + } } void Spectra::registerCommands() diff --git a/avogadro/qtplugins/spectra/spectra.h b/avogadro/qtplugins/spectra/spectra.h index 588210a66a..e3c2a42b6f 100644 --- a/avogadro/qtplugins/spectra/spectra.h +++ b/avogadro/qtplugins/spectra/spectra.h @@ -53,6 +53,7 @@ public slots: void startVibrationAnimation(); void stopVibrationAnimation(); void openDialog(); + void moleculeChanged(unsigned int changes); private slots: void advanceFrame(); From b01f90581a10d39e9c274938989326d225ad595f Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 27 Nov 2023 09:51:18 -0500 Subject: [PATCH 168/186] Make sure to merge properties, not override If the new molecule doesn't have orbitals or vibrations .. don't ignore our current data Signed-off-by: Geoff Hutchison --- avogadro/core/molecule.cpp | 32 ++++++++++++++++++++++++-------- 1 file changed, 24 insertions(+), 8 deletions(-) diff --git a/avogadro/core/molecule.cpp b/avogadro/core/molecule.cpp index da5597d09e..c5db08ae19 100644 --- a/avogadro/core/molecule.cpp +++ b/avogadro/core/molecule.cpp @@ -15,6 +15,7 @@ #include "mesh.h" #include "neighborperceiver.h" #include "residue.h" +#include "slaterset.h" #include "unitcell.h" #include @@ -77,23 +78,38 @@ Molecule::Molecule(const Molecule& other) void Molecule::readProperties(const Molecule& other) { - m_data = other.m_data; - m_partialCharges = other.m_partialCharges; m_label = other.m_label; m_colors = other.m_colors; + // merge data maps by iterating through other's map + for (auto it = other.m_data.begin(); it != other.m_data.end(); ++it) { + // even if we have the same key, we want to overwrite + m_data.setValue(it.key(), it.value()); + } + // merge partial charge maps + for (auto it = other.m_partialCharges.begin(); + it != other.m_partialCharges.end(); ++it) { + m_partialCharges[it.key()] = it.value(); + } // copy orbital information + SlaterSet* slaterSet = dynamic_cast(other.m_basisSet); + if (slaterSet != nullptr) { + m_basisSet = slaterSet->clone(); + m_basisSet->setMolecule(this); + } GaussianSet* gaussianSet = dynamic_cast(other.m_basisSet); - if (gaussianSet) { + if (gaussianSet != nullptr) { m_basisSet = gaussianSet->clone(); m_basisSet->setMolecule(this); } - // copy spectra information - m_vibrationFrequencies = other.m_vibrationFrequencies; - m_vibrationIRIntensities = other.m_vibrationIRIntensities; - m_vibrationRamanIntensities = other.m_vibrationRamanIntensities; - m_vibrationLx = other.m_vibrationLx; + // copy over spectra information + if (other.m_vibrationFrequencies.size() > 0) { + m_vibrationFrequencies = other.m_vibrationFrequencies; + m_vibrationIRIntensities = other.m_vibrationIRIntensities; + m_vibrationRamanIntensities = other.m_vibrationRamanIntensities; + m_vibrationLx = other.m_vibrationLx; + } // Copy over any meshes for (Index i = 0; i < other.meshCount(); ++i) { From 360dcee38edd2c54d82b71180bf7b6f595e194f3 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 27 Nov 2023 10:02:30 -0500 Subject: [PATCH 169/186] Fix compile error Signed-off-by: Geoff Hutchison --- avogadro/core/molecule.cpp | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/avogadro/core/molecule.cpp b/avogadro/core/molecule.cpp index c5db08ae19..e064e8ca44 100644 --- a/avogadro/core/molecule.cpp +++ b/avogadro/core/molecule.cpp @@ -81,14 +81,14 @@ void Molecule::readProperties(const Molecule& other) m_label = other.m_label; m_colors = other.m_colors; // merge data maps by iterating through other's map - for (auto it = other.m_data.begin(); it != other.m_data.end(); ++it) { + for (auto it = other.m_data.constBegin(); it != other.m_data.constEnd(); ++it) { // even if we have the same key, we want to overwrite - m_data.setValue(it.key(), it.value()); + m_data.setValue(it->first, it->second); } // merge partial charge maps - for (auto it = other.m_partialCharges.begin(); - it != other.m_partialCharges.end(); ++it) { - m_partialCharges[it.key()] = it.value(); + for (auto it = other.m_partialCharges.cbegin(); + it != other.m_partialCharges.cend(); ++it) { + m_partialCharges[it->first] = it->second; } // copy orbital information From d7a5d31b5b4d836f45168f80d681dd5a06de1cdc Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 28 Nov 2023 12:44:24 -0500 Subject: [PATCH 170/186] Generate the density matrix if needed for the electron density surface Fix #1480 and the bug report on the forum: https://discuss.avogadro.cc/t/visualize-electron-density-from-orca-molden-file/3750 Signed-off-by: Geoff Hutchison --- avogadro/core/gaussiansettools.cpp | 9 ++++++++- .../qtplugins/surfaces/gaussiansetconcurrent.cpp | 12 +++++++++--- 2 files changed, 17 insertions(+), 4 deletions(-) diff --git a/avogadro/core/gaussiansettools.cpp b/avogadro/core/gaussiansettools.cpp index 72382090f5..b15b8df117 100644 --- a/avogadro/core/gaussiansettools.cpp +++ b/avogadro/core/gaussiansettools.cpp @@ -55,7 +55,13 @@ double GaussianSetTools::calculateMolecularOrbital(const Vector3& position, } bool GaussianSetTools::calculateElectronDensity(Cube& cube) const -{ +{ + const MatrixX& matrix = m_basis->densityMatrix(); + if (matrix.rows() == 0 || matrix.cols() == 0) { + // we don't have a density matrix, so generate one + m_basis->generateDensityMatrix(); + } + for (size_t i = 0; i < cube.data()->size(); ++i) { Vector3 pos = cube.position(i); cube.setValue(i, calculateElectronDensity(pos)); @@ -67,6 +73,7 @@ double GaussianSetTools::calculateElectronDensity(const Vector3& position) const { const MatrixX& matrix = m_basis->densityMatrix(); int matrixSize(static_cast(m_basis->moMatrix().rows())); + if (matrix.rows() != matrixSize || matrix.cols() != matrixSize) { return 0.0; } diff --git a/avogadro/qtplugins/surfaces/gaussiansetconcurrent.cpp b/avogadro/qtplugins/surfaces/gaussiansetconcurrent.cpp index 7c3771fee1..099fc7dacd 100644 --- a/avogadro/qtplugins/surfaces/gaussiansetconcurrent.cpp +++ b/avogadro/qtplugins/surfaces/gaussiansetconcurrent.cpp @@ -56,8 +56,8 @@ void GaussianSetConcurrent::setMolecule(Core::Molecule* mol) if (!mol) return; m_set = dynamic_cast(mol->basisSet()); - - delete m_tools; + + delete m_tools; m_tools = new GaussianSetTools(mol); } @@ -76,6 +76,12 @@ bool GaussianSetConcurrent::calculateMolecularOrbital(Core::Cube* cube, bool GaussianSetConcurrent::calculateElectronDensity(Core::Cube* cube) { + const MatrixX& matrix = m_set->densityMatrix(); + if (matrix.rows() == 0 || matrix.cols() == 0) { + // we don't have a density matrix, so calculate one + m_set->generateDensityMatrix(); + } + return setUpCalculation(cube, 0, GaussianSetConcurrent::processDensity); } @@ -141,4 +147,4 @@ void GaussianSetConcurrent::processSpinDensity(GaussianShell& shell) Vector3 pos = shell.tCube->position(shell.pos); shell.tCube->setValue(shell.pos, shell.tools->calculateSpinDensity(pos)); } -} +} // namespace Avogadro::QtPlugins From 2a8b6d4d69ff26eb0a4fe64a4761ab6693b14a1f Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 28 Nov 2023 13:31:31 -0500 Subject: [PATCH 171/186] Fix formatting Signed-off-by: Geoff Hutchison --- avogadro/core/gaussiansettools.cpp | 30 +++++++++--------------------- 1 file changed, 9 insertions(+), 21 deletions(-) diff --git a/avogadro/core/gaussiansettools.cpp b/avogadro/core/gaussiansettools.cpp index b15b8df117..140032f980 100644 --- a/avogadro/core/gaussiansettools.cpp +++ b/avogadro/core/gaussiansettools.cpp @@ -11,7 +11,6 @@ #include - using std::vector; namespace Avogadro::Core { @@ -22,9 +21,7 @@ GaussianSetTools::GaussianSetTools(Molecule* mol) : m_molecule(mol) m_basis = dynamic_cast(m_molecule->basisSet()); } -GaussianSetTools::~GaussianSetTools() -{ -} +GaussianSetTools::~GaussianSetTools() {} bool GaussianSetTools::calculateMolecularOrbital(Cube& cube, int moNumber) const { @@ -55,7 +52,7 @@ double GaussianSetTools::calculateMolecularOrbital(const Vector3& position, } bool GaussianSetTools::calculateElectronDensity(Cube& cube) const -{ +{ const MatrixX& matrix = m_basis->densityMatrix(); if (matrix.rows() == 0 || matrix.cols() == 0) { // we don't have a density matrix, so generate one @@ -160,7 +157,7 @@ inline vector GaussianSetTools::calculateValues( // Calculate the deltas for the position for (Index i = 0; i < atomsSize; ++i) { deltas.emplace_back(pos - - (m_molecule->atom(i).position3d() * ANGSTROM_TO_BOHR)); + (m_molecule->atom(i).position3d() * ANGSTROM_TO_BOHR)); dr2.push_back(deltas[i].squaredNorm()); } @@ -253,7 +250,7 @@ inline void GaussianSetTools::pointD(unsigned int moIndex, const Vector3& delta, i < m_basis->gtoIndices()[moIndex + 1]; ++i) { // Calculate the common factor double tmpGTO = exp(-gtoA[i] * dr2); - for (double & component : components) + for (double& component : components) component += gtoCN[cIndex++] * tmpGTO; } @@ -286,7 +283,7 @@ inline void GaussianSetTools::pointD5(unsigned int moIndex, i < m_basis->gtoIndices()[moIndex + 1]; ++i) { // Calculate the common factor double tmpGTO = exp(-gtoA[i] * dr2); - for (double & component : components) + for (double& component : components) component += gtoCN[cIndex++] * tmpGTO; } @@ -325,7 +322,7 @@ inline void GaussianSetTools::pointF(unsigned int moIndex, const Vector3& delta, i < m_basis->gtoIndices()[moIndex + 1]; ++i) { // Calculate the common factor double tmpGTO = exp(-gtoA[i] * dr2); - for (double & component : components) + for (double& component : components) component += gtoCN[cIndex++] * tmpGTO; } @@ -343,16 +340,7 @@ inline void GaussianSetTools::pointF(unsigned int moIndex, const Vector3& delta, double componentsF[10] = { // molden order // e.g https://gau2grid.readthedocs.io/en/latest/order.html - xxx, - yyy, - zzz, - xyy, - xxy, - xxz, - xzz, - yzz, - yyz, - xyz + xxx, yyy, zzz, xyy, xxy, xxz, xzz, yzz, yyz, xyz }; for (int i = 0; i < 10; ++i) @@ -378,7 +366,7 @@ inline void GaussianSetTools::pointF7(unsigned int moIndex, i < m_basis->gtoIndices()[moIndex + 1]; ++i) { // Calculate the common factor double tmpGTO = exp(-gtoA[i] * dr2); - for (double & component : components) + for (double& component : components) component += gtoCN[cIndex++] * tmpGTO; } @@ -425,4 +413,4 @@ final normalization values[baseIndex + i] += components[i] * componentsF[i]; } -} // End Avogadro namespace +} // namespace Avogadro::Core From 55331c406dfc70bd3c0e0a59e83dda89ac8595f5 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Wed, 29 Nov 2023 15:05:31 -0500 Subject: [PATCH 172/186] Update README.md Added tweaks to ensure download / citations (etc) are up-to-date Signed-off-by: Geoff Hutchison --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 4699a107cc..d95a889f09 100644 --- a/README.md +++ b/README.md @@ -1,7 +1,7 @@ # ![Avogadro 2][Avogadro2Logo] Avogadro 2 [![Latest Release](https://img.shields.io/github/v/release/openchemistry/avogadrolibs)](https://github.com/OpenChemistry/avogadrolibs/releases) [![BSD License](https://img.shields.io/github/license/openchemistry/avogadrolibs)](https://github.com/OpenChemistry/avogadrolibs/blob/master/LICENSE) [![Build Status](https://img.shields.io/github/actions/workflow/status/openchemistry/avogadrolibs/build_cmake.yml?branch=master)](https://github.com/OpenChemistry/avogadrolibs/actions) [![Codacy Badge](https://app.codacy.com/project/badge/Grade/44bb12662c564ed8a27ee8a7fd89ed50)](https://app.codacy.com/gh/OpenChemistry/avogadrolibs/dashboard?utm_source=gh&utm_medium=referral&utm_content=&utm_campaign=Badge_grade) -[![Download Count](https://avogadro.cc/downloads.svg)](https://github.com/OpenChemistry/avogadrolibs/releases) [![Citation Count](https://avogadro.cc/citations.svg)](http://doi.org/10.1186/1758-2946-4-17) +[![Download Count](https://avogadro.cc/downloads.svg?readme)](https://github.com/OpenChemistry/avogadrolibs/releases) [![Citation Count](https://avogadro.cc/citations.svg?readme)](http://doi.org/10.1186/1758-2946-4-17) [![PRs Welcome](https://img.shields.io/badge/PRs-welcome-brightgreen.svg?style=flat)](http://makeapullrequest.com) [![GitHub contributors](https://img.shields.io/github/contributors/openchemistry/avogadrolibs.svg?style=flat&color=0bf)](https://github.com/OpenChemistry/avogadrolibs/graphs/contributors) [![OpenCollective Backers](https://img.shields.io/opencollective/all/open-chemistry)](https://opencollective.com/open-chemistry) ## Introduction From f0458e8280e7ad3a0db4ecee5ed669592998b0e8 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Thu, 30 Nov 2023 21:41:51 -0500 Subject: [PATCH 173/186] Fix vibration animation Fixes #1445 - animation would "wiggle" from previous frames Optimization steps are now cleared before vibrational modes added Signed-off-by: Geoff Hutchison --- avogadro/core/molecule.cpp | 8 +++++++- avogadro/core/molecule.h | 5 +++++ avogadro/qtplugins/spectra/spectra.cpp | 3 ++- 3 files changed, 14 insertions(+), 2 deletions(-) diff --git a/avogadro/core/molecule.cpp b/avogadro/core/molecule.cpp index e064e8ca44..f82d5a3b44 100644 --- a/avogadro/core/molecule.cpp +++ b/avogadro/core/molecule.cpp @@ -81,7 +81,8 @@ void Molecule::readProperties(const Molecule& other) m_label = other.m_label; m_colors = other.m_colors; // merge data maps by iterating through other's map - for (auto it = other.m_data.constBegin(); it != other.m_data.constEnd(); ++it) { + for (auto it = other.m_data.constBegin(); it != other.m_data.constEnd(); + ++it) { // even if we have the same key, we want to overwrite m_data.setValue(it->first, it->second); } @@ -1218,6 +1219,11 @@ bool Molecule::setCoordinate3d(int coord) return false; } +void Molecule::clearCoordinate3d() +{ + m_coordinates3d.clear(); +} + Array Molecule::coordinate3d(int index) const { return m_coordinates3d[index]; diff --git a/avogadro/core/molecule.h b/avogadro/core/molecule.h index a242be6ed7..cf05ca2ba3 100644 --- a/avogadro/core/molecule.h +++ b/avogadro/core/molecule.h @@ -553,6 +553,11 @@ class AVOGADROCORE_EXPORT Molecule Array coordinate3d(int index) const; bool setCoordinate3d(const Array& coords, int index); + /** + * Clear coordinate sets (except the default set) + */ + void clearCoordinate3d(); + /** * Timestep property is used when molecular dynamics trajectories are read */ diff --git a/avogadro/qtplugins/spectra/spectra.cpp b/avogadro/qtplugins/spectra/spectra.cpp index d3e1341a7d..09c7e25ee3 100644 --- a/avogadro/qtplugins/spectra/spectra.cpp +++ b/avogadro/qtplugins/spectra/spectra.cpp @@ -139,10 +139,11 @@ void Spectra::setMode(int mode) m_molecule->setForceVector(atom, v); ++atom; } - m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Added); + // m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Added); int frames = 5; // TODO: needs an option int frameCounter = 0; + m_molecule->clearCoordinate3d(); m_molecule->setCoordinate3d(atomPositions, frameCounter++); // Current coords + displacement. From 65d3144dddf512593c511726fabb3e6599ff4757 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sat, 2 Dec 2023 14:39:51 -0500 Subject: [PATCH 174/186] Add a "text" option for scripts to add text labels / help Signed-off-by: Geoff Hutchison --- avogadro/qtgui/jsonwidget.cpp | 38 +++++++++++++++++++++++++++++++++++ avogadro/qtgui/jsonwidget.h | 2 ++ 2 files changed, 40 insertions(+) diff --git a/avogadro/qtgui/jsonwidget.cpp b/avogadro/qtgui/jsonwidget.cpp index 78abdb1303..d65ec3cdbf 100644 --- a/avogadro/qtgui/jsonwidget.cpp +++ b/avogadro/qtgui/jsonwidget.cpp @@ -347,6 +347,8 @@ QWidget* JsonWidget::createOptionWidget(const QJsonValue& option) return createFloatWidget(obj); else if (type == QLatin1String("boolean")) return createBooleanWidget(obj); + else if (type == QLatin1String("text")) + return createTextWidget(obj); qDebug() << "Unrecognized option type:" << type; return nullptr; @@ -398,6 +400,19 @@ QWidget* JsonWidget::createStringWidget(const QJsonObject& obj) return edit; } +QWidget* JsonWidget::createTextWidget(const QJsonObject& obj) +{ + auto* text = new QLabel(this); + text->setWordWrap(true); + + if (obj.contains(QStringLiteral("toolTip")) && + obj.value(QStringLiteral("toolTip")).isString()) { + text->setToolTip(obj[QStringLiteral("toolTip")].toString()); + } + + return text; +} + QWidget* JsonWidget::createFilePathWidget(const QJsonObject& obj) { auto* fileBrowse = new QtGui::FileBrowseWidget(this); @@ -551,6 +566,8 @@ void JsonWidget::setOption(const QString& name, const QJsonValue& defaultValue) return setFloatOption(name, defaultValue); else if (type == QLatin1String("boolean")) return setBooleanOption(name, defaultValue); + else if (type == QLatin1String("text")) + return setTextOption(name, defaultValue); qWarning() << tr("Unrecognized option type '%1' for option '%2'.").arg(type).arg(name); @@ -614,6 +631,27 @@ void JsonWidget::setStringOption(const QString& name, const QJsonValue& value) lineEdit->setText(value.toString()); } +void JsonWidget::setTextOption(const QString& name, const QJsonValue& value) +{ + auto* text = qobject_cast(m_widgets.value(name, nullptr)); + if (text == nullptr) { + qWarning() << tr("Error setting default for option '%1'. " + "Bad widget type.") + .arg(name); + return; + } + + if (!value.isString()) { + qWarning() << tr("Error setting default for option '%1'. " + "Bad default value:") + .arg(name) + << value; + return; + } + + text->setText(value.toString()); +} + void JsonWidget::setFilePathOption(const QString& name, const QJsonValue& value) { auto* fileBrowse = diff --git a/avogadro/qtgui/jsonwidget.h b/avogadro/qtgui/jsonwidget.h index f182ea7675..653a376303 100644 --- a/avogadro/qtgui/jsonwidget.h +++ b/avogadro/qtgui/jsonwidget.h @@ -92,6 +92,7 @@ class AVOGADROQTGUI_EXPORT JsonWidget : public QWidget QWidget* createIntegerWidget(const QJsonObject& obj); QWidget* createFloatWidget(const QJsonObject& obj); QWidget* createBooleanWidget(const QJsonObject& obj); + QWidget* createTextWidget(const QJsonObject& obj); /**@}*/ /** @@ -106,6 +107,7 @@ class AVOGADROQTGUI_EXPORT JsonWidget : public QWidget void setIntegerOption(const QString& name, const QJsonValue& value); void setFloatOption(const QString& name, const QJsonValue& value); void setBooleanOption(const QString& name, const QJsonValue& value); + void setTextOption(const QString& name, const QJsonValue& value); /**@}*/ /** From 11bff12d49e347e3dc34c6f318fd8548556977aa Mon Sep 17 00:00:00 2001 From: Makiah Bennett Date: Sun, 3 Dec 2023 19:13:19 -0600 Subject: [PATCH 175/186] Avoid segfaulting while manipulating carbon bonds and associated hydrogens Signed-off-by: Makiah Bennett --- avogadro/qtgui/hydrogentools.cpp | 3 +++ 1 file changed, 3 insertions(+) diff --git a/avogadro/qtgui/hydrogentools.cpp b/avogadro/qtgui/hydrogentools.cpp index 3187889dbf..b7b5266b2d 100644 --- a/avogadro/qtgui/hydrogentools.cpp +++ b/avogadro/qtgui/hydrogentools.cpp @@ -134,6 +134,9 @@ void HydrogenTools::adjustHydrogens(RWAtom& atom, Adjustment adjustment) // convenience RWMolecule* molecule = atom.molecule(); + if (molecule == nullptr) + return; + if (doRemove) { // get the list of hydrogens connected to this std::vector badHIndices; From 27c14a5c948185644d2f910362c3c826f70f8811 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sun, 3 Dec 2023 21:21:18 -0500 Subject: [PATCH 176/186] Add specialization for char* and MatrixXf types Implicit conversion does not work for these types Signed-off-by: Geoff Hutchison --- avogadro/core/variant-inline.h | 20 +++++++++++++++----- avogadro/core/variant.h | 10 ++++++++-- 2 files changed, 23 insertions(+), 7 deletions(-) diff --git a/avogadro/core/variant-inline.h b/avogadro/core/variant-inline.h index 4b6426d2ab..6706e4cf5e 100644 --- a/avogadro/core/variant-inline.h +++ b/avogadro/core/variant-inline.h @@ -13,9 +13,7 @@ namespace Avogadro { namespace Core { -inline Variant::Variant() : m_type(Null) -{ -} +inline Variant::Variant() : m_type(Null) {} template inline Variant::Variant(T v) : m_type(Null) @@ -23,6 +21,18 @@ inline Variant::Variant(T v) : m_type(Null) setValue(v); } +inline Variant::Variant(const char* v) : m_type(String) +{ + m_value.string = new std::string(v); +} + +inline Variant::Variant(const MatrixXf& v) : m_type(Matrix) +{ + MatrixX* m = new MatrixX(v.rows(), v.cols()); + *m = v.cast(); + m_value.matrix = m; +} + inline Variant::Variant(const Variant& variant) : m_type(variant.type()) { if (m_type == String) @@ -444,7 +454,7 @@ inline T Variant::lexical_cast(const std::string& str) return value; } -} // end Core namespace -} // end Avogadro namespace +} // namespace Core +} // namespace Avogadro #endif // AVOGADRO_CORE_VARIANT_INLINE_H diff --git a/avogadro/core/variant.h b/avogadro/core/variant.h index 3f171aebfc..c2b08bd56c 100644 --- a/avogadro/core/variant.h +++ b/avogadro/core/variant.h @@ -48,6 +48,12 @@ class AVOGADROCORE_EXPORT Variant template Variant(T value); + /** Creates a std::string variant to store @p value */ + Variant(const char* value); + + /** Creates a MatrixX variant to store @p value */ + Variant(const MatrixXf& value); + /** Creates a new copy of @p variant. */ inline Variant(const Variant& variant); @@ -146,8 +152,8 @@ class AVOGADROCORE_EXPORT Variant } m_value; }; -} // end Core namespace -} // end Avogadro namespace +} // namespace Core +} // namespace Avogadro #include "variant-inline.h" From 9de7c420c2372770b3b8083abc11b9b0d5b33021 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 4 Dec 2023 11:49:55 -0500 Subject: [PATCH 177/186] Fix potential crashes in selection commands Check that molecules have atoms before doing something Hat tip to Kiran_Vasave on the forum Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/select/select.cpp | 30 +++++++++++++++++++--------- 1 file changed, 21 insertions(+), 9 deletions(-) diff --git a/avogadro/qtplugins/select/select.cpp b/avogadro/qtplugins/select/select.cpp index d4987c1fea..be76ac0fb8 100644 --- a/avogadro/qtplugins/select/select.cpp +++ b/avogadro/qtplugins/select/select.cpp @@ -139,7 +139,7 @@ bool Select::evalSelect(bool input, Index index) const void Select::selectAll() { - if (m_molecule) { + if (m_molecule && m_molecule->atomCount() > 0) { for (Index i = 0; i < m_molecule->atomCount(); ++i) { m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i)); } @@ -150,7 +150,7 @@ void Select::selectAll() void Select::selectNone() { - if (m_molecule) { + if (m_molecule && m_molecule->atomCount() > 0) { for (Index i = 0; i < m_molecule->atomCount(); ++i) m_molecule->undoMolecule()->setAtomSelected(i, false); @@ -160,7 +160,7 @@ void Select::selectNone() void Select::selectElement() { - if (!m_molecule) + if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; if (m_elements == nullptr) { @@ -174,7 +174,7 @@ void Select::selectElement() void Select::selectElement(int element) { - if (!m_molecule) + if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; QString undoText = tr("Select Element"); @@ -211,7 +211,7 @@ bool Select::isWaterOxygen(Index i) void Select::selectWater() { - if (!m_molecule) + if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; QString undoText = tr("Select Water"); @@ -260,6 +260,9 @@ void Select::selectWater() void Select::selectBackboneAtoms() { + if (m_molecule == nullptr || m_molecule->atomCount() == 0) + return; + // unselect everything selectNone(); @@ -296,6 +299,9 @@ void Select::selectBackboneAtoms() void Select::selectSidechainAtoms() { + if (m_molecule == nullptr || m_molecule->atomCount() == 0) + return; + // unselect everything selectNone(); @@ -350,6 +356,9 @@ Vector3 Select::getSelectionCenter() void Select::enlargeSelection() { + if (m_molecule == nullptr || m_molecule->atomCount() == 0) + return; + Vector3 center = getSelectionCenter(); // find the current max distance of the selection Real maxDistance = 0.0; @@ -384,6 +393,9 @@ void Select::enlargeSelection() void Select::shrinkSelection() { + if (m_molecule == nullptr || m_molecule->atomCount() == 0) + return; + Vector3 center = getSelectionCenter(); // find the current max distance of the selection Real maxDistance = 0.0; @@ -420,7 +432,7 @@ void Select::shrinkSelection() void Select::selectAtomIndex() { - if (!m_molecule) + if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; bool ok; @@ -461,7 +473,7 @@ void Select::selectAtomIndex() void Select::selectResidue() { - if (!m_molecule) + if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; bool ok; @@ -531,7 +543,7 @@ void Select::selectResidue() void Select::invertSelection() { - if (m_molecule) { + if (m_molecule && m_molecule->atomCount() > 0) { for (Index i = 0; i < m_molecule->atomCount(); ++i) m_molecule->undoMolecule()->setAtomSelected( i, evalSelect(!m_molecule->atomSelected(i), i), tr("Invert Selection")); @@ -541,7 +553,7 @@ void Select::invertSelection() void Select::createLayerFromSelection() { - if (!m_molecule) + if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; QtGui::RWMolecule* rwmol = m_molecule->undoMolecule(); From 1260e1a03fa72ae0b3b3b6fa9323e5084dfde313 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 4 Dec 2023 12:39:29 -0500 Subject: [PATCH 178/186] Better to use template specialization Signed-off-by: Geoff Hutchison --- avogadro/core/variant-inline.h | 2 ++ avogadro/core/variant.h | 6 ------ 2 files changed, 2 insertions(+), 6 deletions(-) diff --git a/avogadro/core/variant-inline.h b/avogadro/core/variant-inline.h index 6706e4cf5e..16836f4dcb 100644 --- a/avogadro/core/variant-inline.h +++ b/avogadro/core/variant-inline.h @@ -21,11 +21,13 @@ inline Variant::Variant(T v) : m_type(Null) setValue(v); } +template <> inline Variant::Variant(const char* v) : m_type(String) { m_value.string = new std::string(v); } +template <> inline Variant::Variant(const MatrixXf& v) : m_type(Matrix) { MatrixX* m = new MatrixX(v.rows(), v.cols()); diff --git a/avogadro/core/variant.h b/avogadro/core/variant.h index c2b08bd56c..84eda3186d 100644 --- a/avogadro/core/variant.h +++ b/avogadro/core/variant.h @@ -48,12 +48,6 @@ class AVOGADROCORE_EXPORT Variant template Variant(T value); - /** Creates a std::string variant to store @p value */ - Variant(const char* value); - - /** Creates a MatrixX variant to store @p value */ - Variant(const MatrixXf& value); - /** Creates a new copy of @p variant. */ inline Variant(const Variant& variant); From f230d55866c3050f7b4432e54853fd296190dcff Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 4 Dec 2023 19:57:14 -0500 Subject: [PATCH 179/186] Check menu path for {} priority numbers Signed-off-by: Geoff Hutchison --- avogadro/qtplugins/commandscripts/command.cpp | 23 ++++++++++++++++++- 1 file changed, 22 insertions(+), 1 deletion(-) diff --git a/avogadro/qtplugins/commandscripts/command.cpp b/avogadro/qtplugins/commandscripts/command.cpp index dc247fb19a..0e4410813b 100644 --- a/avogadro/qtplugins/commandscripts/command.cpp +++ b/avogadro/qtplugins/commandscripts/command.cpp @@ -76,6 +76,27 @@ QStringList Command::menuPath(QAction* action) const return path; } + // look for {number} in the last part of the path + // (this is a priority integer) + QString lastPart = path.takeLast(); + int priority = 0; + int braceIndex = lastPart.indexOf('{'); + int endBraceIndex = lastPart.indexOf('}'); + if (braceIndex >= 0 && endBraceIndex >= 0 && endBraceIndex > braceIndex) { + bool ok = false; + size_t len = endBraceIndex - braceIndex - 1; + priority = lastPart.mid(braceIndex + 1, len).toInt(&ok); + if (ok) { + lastPart = lastPart.left(braceIndex); + } + } + // add it back to the path + path << lastPart; + + if (priority != 0) { + action->setProperty("menu priority", priority); + } + // try to translate each part of the path // not ideal, but menus should already be in the translation file QStringList translatedPath; @@ -306,4 +327,4 @@ void Command::addAction(const QString& label, const QString& scriptFilePath) m_actions << action; } -} // namespace Avogadro +} // namespace Avogadro::QtPlugins From 66f230b0295b62141c111043613dc10d318ff27e Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 4 Dec 2023 21:18:16 -0500 Subject: [PATCH 180/186] If no partial charges are assigned, set them Signed-off-by: Geoff Hutchison --- .../qtplugins/propertytables/CMakeLists.txt | 2 ++ .../propertytables/propertymodel.cpp | 23 +++++++++++++++++++ 2 files changed, 25 insertions(+) diff --git a/avogadro/qtplugins/propertytables/CMakeLists.txt b/avogadro/qtplugins/propertytables/CMakeLists.txt index 18170b789a..8a73d2bc98 100644 --- a/avogadro/qtplugins/propertytables/CMakeLists.txt +++ b/avogadro/qtplugins/propertytables/CMakeLists.txt @@ -5,3 +5,5 @@ avogadro_plugin(PropertyTables PropertyTables "propertytables.cpp;propertymodel.cpp;propertyview.cpp" ) + +target_link_libraries(PropertyTables PRIVATE Avogadro::Calc) \ No newline at end of file diff --git a/avogadro/qtplugins/propertytables/propertymodel.cpp b/avogadro/qtplugins/propertytables/propertymodel.cpp index 9793106ca4..e1d2a79cc5 100644 --- a/avogadro/qtplugins/propertytables/propertymodel.cpp +++ b/avogadro/qtplugins/propertytables/propertymodel.cpp @@ -5,6 +5,7 @@ #include "propertymodel.h" +#include #include #include #include @@ -135,6 +136,28 @@ QString partialCharge(Molecule* molecule, int atom) auto first = types.cbegin(); MatrixX charges = molecule->partialCharges((*first)); charge = charges(atom, 0); + } else { + // find something + const auto options = + Calc::ChargeManager::instance().identifiersForMolecule(*molecule); + if (options.size() > 0) { + // look for GFN2 or AM1BCC, then MMFF94 then Gasteiger + std::string type; + if (options.find("GFN2") != options.end()) + type = "GFN2"; + else if (options.find("am1bcc") != options.end()) + type = "am1bcc"; + else if (options.find("mmff94") != options.end()) + type = "mmff94"; + else if (options.find("gasteiger") != options.end()) + type = "gasteiger"; + else + type = *options.begin(); + + MatrixX charges = + Calc::ChargeManager::instance().partialCharges(type, *molecule); + charge = charges(atom, 0); + } } return QString("%L1").arg(charge, 0, 'f', 3); } From ea531ac574948b122e51214bb037e2e5fa563a96 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 4 Dec 2023 21:32:32 -0500 Subject: [PATCH 181/186] If userOptions specifies an order, use that to sort the form Fix #1498 Signed-off-by: Geoff Hutchison --- avogadro/qtgui/jsonwidget.cpp | 18 +++++++++++++++++- 1 file changed, 17 insertions(+), 1 deletion(-) diff --git a/avogadro/qtgui/jsonwidget.cpp b/avogadro/qtgui/jsonwidget.cpp index d65ec3cdbf..9d4302803d 100644 --- a/avogadro/qtgui/jsonwidget.cpp +++ b/avogadro/qtgui/jsonwidget.cpp @@ -208,10 +208,26 @@ void JsonWidget::buildOptionGui() } // Add remaining keys at bottom. + // look for "order" key to determine order + QStringList keys; for (QJsonObject::const_iterator it = userOptions.constBegin(), itEnd = userOptions.constEnd(); it != itEnd; ++it) { - addOptionRow(it.key(), it.key(), it.value()); + if (it.value().isObject()) { + QJsonObject obj = it.value().toObject(); + if (obj.contains("order") && obj.value("order").isDouble()) { + keys.insert(obj.value("order").toInt(), it.key()); + } else { + keys.append(it.key()); + } + } else { + keys.append(it.key()); + } + } + + // now loop over keys and add them + for (const QString& key : keys) { + addOptionRow(key, key, userOptions.take(key)); } // Make connections for standard options: From 41580061e194678e35f7e499729d6a0e00ecce69 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 4 Dec 2023 21:55:32 -0500 Subject: [PATCH 182/186] Fix include of avogadrocoreexport.h Fix #1476 Signed-off-by: Geoff Hutchison --- avogadro/core/coordinateblockgenerator.h | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/avogadro/core/coordinateblockgenerator.h b/avogadro/core/coordinateblockgenerator.h index 44f0f266de..216e6e3fe0 100644 --- a/avogadro/core/coordinateblockgenerator.h +++ b/avogadro/core/coordinateblockgenerator.h @@ -6,7 +6,7 @@ #ifndef AVOGADRO_CORE_COORDINATEBLOCKGENERATOR_H #define AVOGADRO_CORE_COORDINATEBLOCKGENERATOR_H -#include +#include "avogadrocoreexport.h" #include #include From b8ae295004973d08133250b512ba644183e59db2 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Mon, 4 Dec 2023 22:57:46 -0500 Subject: [PATCH 183/186] Use a map to sort by order if available Signed-off-by: Geoff Hutchison --- avogadro/qtgui/jsonwidget.cpp | 15 ++++++++------- 1 file changed, 8 insertions(+), 7 deletions(-) diff --git a/avogadro/qtgui/jsonwidget.cpp b/avogadro/qtgui/jsonwidget.cpp index 9d4302803d..b04e502ee4 100644 --- a/avogadro/qtgui/jsonwidget.cpp +++ b/avogadro/qtgui/jsonwidget.cpp @@ -209,26 +209,27 @@ void JsonWidget::buildOptionGui() // Add remaining keys at bottom. // look for "order" key to determine order - QStringList keys; + QMap keys; + int order = 0; for (QJsonObject::const_iterator it = userOptions.constBegin(), itEnd = userOptions.constEnd(); it != itEnd; ++it) { if (it.value().isObject()) { QJsonObject obj = it.value().toObject(); if (obj.contains("order") && obj.value("order").isDouble()) { - keys.insert(obj.value("order").toInt(), it.key()); - } else { - keys.append(it.key()); + order = obj.value("order").toInt(); + keys.insert(order, it.key()); + } else { // object doesn't contain "order" + keys.insert(order++, it.key()); } } else { - keys.append(it.key()); + keys.insert(order++, it.key()); } } // now loop over keys and add them - for (const QString& key : keys) { + for (QString key : std::as_const(keys)) addOptionRow(key, key, userOptions.take(key)); - } // Make connections for standard options: if (auto* combo = qobject_cast( From c00454446fcdeddf9fefda8ba1fcf1ad48f8a26c Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Tue, 5 Dec 2023 09:42:07 -0500 Subject: [PATCH 184/186] Remove duplicate include Signed-off-by: Geoff Hutchison --- avogadro/core/atomutilities.h | 2 -- 1 file changed, 2 deletions(-) diff --git a/avogadro/core/atomutilities.h b/avogadro/core/atomutilities.h index 2170df97b1..64be896f19 100644 --- a/avogadro/core/atomutilities.h +++ b/avogadro/core/atomutilities.h @@ -8,8 +8,6 @@ #include "avogadrocoreexport.h" -#include "avogadrocoreexport.h" - #include #include From 6e89723b41e85a245c679e23cabfb9e128d62359 Mon Sep 17 00:00:00 2001 From: Norwid Behrnd Date: Wed, 29 Nov 2023 15:32:15 +0000 Subject: [PATCH 185/186] Translated using Weblate (German) Currently translated at 74.4% (1093 of 1469 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/de/ --- i18n/de.po | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/i18n/de.po b/i18n/de.po index ae3d53e745..9d215b7593 100644 --- a/i18n/de.po +++ b/i18n/de.po @@ -12,7 +12,7 @@ msgstr "" "Project-Id-Version: _avogadro-de\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-11-19 16:50+0000\n" -"PO-Revision-Date: 2023-08-17 15:50+0000\n" +"PO-Revision-Date: 2023-11-30 16:05+0000\n" "Last-Translator: Norwid Behrnd \n" "Language-Team: German \n" @@ -21,7 +21,7 @@ msgstr "" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" -"X-Generator: Weblate 5.0-dev\n" +"X-Generator: Weblate 5.3-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:70 @@ -684,7 +684,7 @@ msgstr "Zirconium" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" -msgstr "Niob (Columbium)" +msgstr "Niob" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" @@ -852,7 +852,7 @@ msgstr "Blei" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" -msgstr "Bismut (Wismut)" +msgstr "Bismut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" From ce728f9bc4d37d30f439d00e74c776bcd5db3868 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Hakk=C4=B1=20Konu?= Date: Sat, 2 Dec 2023 00:45:04 +0000 Subject: [PATCH 186/186] Translated using Weblate (Turkish) Currently translated at 51.3% (755 of 1469 strings) Translation: Avogadro/avogadrolibs Translate-URL: https://hosted.weblate.org/projects/avogadro/avogadrolibs/tr/ --- i18n/tr.po | 169 +++++++++++++++++++++++++---------------------------- 1 file changed, 80 insertions(+), 89 deletions(-) diff --git a/i18n/tr.po b/i18n/tr.po index e5e415f034..2af2f811fa 100644 --- a/i18n/tr.po +++ b/i18n/tr.po @@ -9,13 +9,14 @@ # udo pton , 2021. # Acun , 2021. # Hıncal Gökhan BAKIR , 2023. +# Hakkı Konu , 2023. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2023-11-19 16:50+0000\n" -"PO-Revision-Date: 2023-05-20 18:51+0000\n" -"Last-Translator: Hıncal Gökhan BAKIR \n" +"PO-Revision-Date: 2023-12-02 21:28+0000\n" +"Last-Translator: Hakkı Konu \n" "Language-Team: Turkish \n" "Language: tr\n" @@ -23,7 +24,7 @@ msgstr "" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" -"X-Generator: Weblate 4.18-dev\n" +"X-Generator: Weblate 5.3-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:70 @@ -42,6 +43,8 @@ msgid "" "Received:\n" "%1" msgstr "" +"script --print-options çıktısı en üst düzeyde bir JSON nesnesi olmalıdır.\n" +"%1" #: molequeue/inputgenerator.cpp:175 qtgui/interfacescript.cpp:208 #: qtgui/interfacescript.cpp:319 @@ -1023,6 +1026,8 @@ msgid "" "The file extension is missing, so the format cannot be determined.Do you " "want to add it?" msgstr "" +"Dosya uzantısı eksik, bu nedenle format belirlenemiyor Eklemek istiyor " +"musunuz?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." @@ -1064,16 +1069,12 @@ msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "Bu biçimi %2 yapabilen birden çok %1 bulundu. Hangisi kullanılmalı?" #: qtgui/fileformatdialog.cpp:279 -#, fuzzy -#| msgid "All Files" msgid "All files" -msgstr "Bütün Dosyalar" +msgstr "Bütün dosyalar" #: qtgui/fileformatdialog.cpp:282 -#, fuzzy -#| msgid "All supported formats (%1);;" msgid "All supported formats" -msgstr "Desteklenen tüm formatlar (%1) ;;" +msgstr "Desteklenen tüm formatlar" #: qtgui/interfacescript.cpp:225 #, qt-format @@ -1144,7 +1145,7 @@ msgstr "Temel" #: qtgui/jsonwidget.cpp:200 qtgui/jsonwidget.cpp:204 msgid "Charge" -msgstr "" +msgstr "Yük" #: qtgui/jsonwidget.cpp:201 qtgui/jsonwidget.cpp:206 msgid "Multiplicity" @@ -1158,13 +1159,13 @@ msgstr "Hata: '%1' anahtarı için değer nesne olmalıdır." #: qtgui/jsonwidget.cpp:556 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." -msgstr "" +msgstr "'%2' seçeneği için tanınmayan seçenek türü '%1'." #: qtgui/jsonwidget.cpp:565 qtgui/jsonwidget.cpp:600 qtgui/jsonwidget.cpp:622 #: qtgui/jsonwidget.cpp:643 qtgui/jsonwidget.cpp:665 qtgui/jsonwidget.cpp:686 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." -msgstr "" +msgstr "'%1' seçeneği için varsayılan ayar hatası. Hatalı widget türü." #: qtgui/jsonwidget.cpp:572 qtgui/jsonwidget.cpp:607 qtgui/jsonwidget.cpp:629 #: qtgui/jsonwidget.cpp:650 qtgui/jsonwidget.cpp:672 qtgui/jsonwidget.cpp:693 @@ -1184,7 +1185,7 @@ msgstr "" #: qtgui/jsonwidget.cpp:754 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." -msgstr "" +msgstr "'%1' seçeneği için collectOptions içinde işlenmemiş widget." #: qtgui/jsonwidget.cpp:796 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:395 @@ -1192,27 +1193,23 @@ msgid "[no molecule]" msgstr "[molekül yok]" #: qtgui/layermodel.cpp:85 -#, fuzzy, qt-format -#| msgid "Layer" +#, qt-format msgid "Layer %1" -msgstr "Katman" +msgstr "Katman %1" #: qtgui/layermodel.cpp:135 qtplugins/ballandstick/ballandstick.h:29 msgid "Ball and Stick" msgstr "Top ve Çubuk" #: qtgui/layermodel.cpp:137 qtplugins/cartoons/cartoons.h:30 -#, fuzzy -#| msgctxt "protein rendering style" -#| msgid "Cartoon" msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" -msgstr "Karikatür" +msgstr "Karikatürler" #: qtgui/layermodel.cpp:139 qtplugins/closecontacts/closecontacts.h:30 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" -msgstr "" +msgstr "Yakın Temaslar" #: qtgui/layermodel.cpp:141 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" @@ -1227,19 +1224,17 @@ msgid "Labels" msgstr "Etiketler" #: qtgui/layermodel.cpp:147 qtplugins/licorice/licorice.h:29 -#, fuzzy -#| msgid "Licorice" msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Meyan kökü" #: qtgui/layermodel.cpp:149 qtplugins/meshes/meshes.h:29 msgid "Meshes" -msgstr "" +msgstr "Ağlar" #: qtgui/layermodel.cpp:151 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" -msgstr "" +msgstr "Kovalent Olmayan" #: qtgui/layermodel.cpp:153 #, fuzzy @@ -1250,7 +1245,7 @@ msgstr "QTAIM (MAKT)" #: qtgui/layermodel.cpp:155 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" -msgstr "" +msgstr "Simetri Unsurları" #: qtgui/layermodel.cpp:157 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 @@ -1318,11 +1313,9 @@ msgstr "" "%6" #: qtgui/pythonscript.cpp:145 -#, fuzzy, qt-format -#| msgctxt "arg is an executable file." -#| msgid "Starting %1…" +#, qt-format msgid "Warning '%1'" -msgstr "%1 başlatılıyor…" +msgstr "Uyarı '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." @@ -1487,7 +1480,7 @@ msgstr "Temel Ögeye İndirge" #: qtgui/rwmolecule.cpp:628 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:240 msgid "Conventionalize Cell" -msgstr "" +msgstr "Hücreyi Konvansiyonelleştirin" #: qtgui/rwmolecule.cpp:653 qtplugins/spacegroup/spacegroup.cpp:265 msgid "Symmetrize Cell" @@ -1502,10 +1495,8 @@ msgid "Reduce Cell to Asymmetric Unit" msgstr "Hücreyi Asimetrik Birime İndirge" #: qtgui/rwmolecule.h:214 -#, fuzzy -#| msgid "Change Atom Hybridization" msgid "Change Atom Positions" -msgstr "Atom Hibridizasyonunu Değiştir" +msgstr "Atom Konumlarını Değiştirme" #: qtgui/rwmolecule.h:224 #, fuzzy @@ -1538,11 +1529,11 @@ msgstr "Dosya kaydedilemiyor %1." #: qtgui/scriptloader.cpp:68 #, qt-format msgid "Checking for %1 scripts in path %2" -msgstr "" +msgstr "%2 dizininde %1 komut dosyası olup olmadığı kontrol ediliyor" #: qtplugins/3dmol/3dmol.cpp:41 msgid "3DMol HTML Block." -msgstr "" +msgstr "3DMol HTML Bloğu." #: qtplugins/3dmol/3dmol.cpp:51 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:43 @@ -1565,9 +1556,10 @@ msgstr "" #: qtplugins/aligntool/aligntool.cpp:53 qtplugins/aligntool/aligntool.cpp:88 msgid "Align" -msgstr "" +msgstr "Hizala" #: qtplugins/aligntool/aligntool.cpp:56 +#, fuzzy msgid "" "Align Molecules\n" "\n" @@ -1577,42 +1569,41 @@ msgid "" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" +"Molekülleri Hizala\n" +"\n" +"Sol Fare: En fazla iki atom seçin.\n" +"\tİlk atom orijinde ortalanır.\n" +"\tİkinci atom seçilen eksene hizalanır.\n" +"Sağ Fare: Hizalamayı sıfırlayın.\n" +"Çift Tıklama: \tAtomu orijinde ortalar." #: qtplugins/aligntool/aligntool.cpp:75 -#, fuzzy -#| msgid "X Axis" msgid "Axis:" -msgstr "X Ekseni" +msgstr "X Ekseni:" #: qtplugins/aligntool/aligntool.cpp:152 msgid "Align at Origin" -msgstr "" +msgstr "Başlangıçta Hizala" #: qtplugins/aligntool/aligntool.cpp:188 -#, fuzzy -#| msgid "Align View to Axes" msgid "Align to Axis" -msgstr "Görünümü Eksene Hizala" +msgstr "Eksene Hizala" #: qtplugins/aligntool/aligntool.cpp:304 -#, fuzzy -#| msgid "Renders the x, y, and z axes at the origin" msgid "Center the atom at the origin." -msgstr "Merkezdeki x, y, ve x eksenlerini kaplar" +msgstr "Atomu orijinde ortalayın." #: qtplugins/aligntool/aligntool.cpp:307 msgid "Rotate the molecule to align the atom to the specified axis." -msgstr "" +msgstr "Atomu belirtilen eksene hizalamak için molekülü döndürün." #: qtplugins/aligntool/aligntool.h:30 -#, fuzzy -#| msgid "Navigate tool" msgid "Align tool" -msgstr "Gezinme aracı" +msgstr "Hizalama aracı" #: qtplugins/aligntool/aligntool.h:33 msgid "Align molecules to a Cartesian axis" -msgstr "" +msgstr "Molekülleri bir Kartezyen eksene hizalama" #: qtplugins/apbs/apbs.cpp:31 msgid "Run APBS…" @@ -1762,10 +1753,8 @@ msgid "By Chain" msgstr "Zincire Göre" #: qtplugins/applycolors/applycolors.cpp:74 -#, fuzzy -#| msgid "Partial Charge" msgid "By Partial Charge…" -msgstr "Kısmi Yük" +msgstr "Kısmi Talep ile…" #: qtplugins/applycolors/applycolors.cpp:79 msgid "By Secondary Structure" @@ -1785,25 +1774,25 @@ msgstr "Şekil Düzenine Göre" #: qtplugins/surfaces/surfaces.cpp:738 msgctxt "colormap" msgid "Parula" -msgstr "" +msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:106 #: qtplugins/surfaces/surfaces.cpp:740 msgctxt "colormap" msgid "Heat" -msgstr "" +msgstr "Isı" #: qtplugins/applycolors/applycolors.cpp:108 #: qtplugins/surfaces/surfaces.cpp:742 msgctxt "colormap" msgid "Hot" -msgstr "" +msgstr "Sıcak" #: qtplugins/applycolors/applycolors.cpp:110 #: qtplugins/surfaces/surfaces.cpp:744 msgctxt "colormap" msgid "Gray" -msgstr "" +msgstr "Gri" #: qtplugins/applycolors/applycolors.cpp:112 #: qtplugins/applycolors/applycolors.cpp:207 @@ -1811,7 +1800,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:746 msgctxt "colormap" msgid "Magma" -msgstr "" +msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:114 #: qtplugins/applycolors/applycolors.cpp:208 @@ -1819,7 +1808,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:748 msgctxt "colormap" msgid "Inferno" -msgstr "" +msgstr "Cehennem" #: qtplugins/applycolors/applycolors.cpp:116 #: qtplugins/applycolors/applycolors.cpp:208 @@ -1827,7 +1816,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:750 msgctxt "colormap" msgid "Plasma" -msgstr "" +msgstr "Plazma" #: qtplugins/applycolors/applycolors.cpp:118 #: qtplugins/applycolors/applycolors.cpp:209 @@ -1835,7 +1824,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:752 msgctxt "colormap" msgid "Viridis" -msgstr "" +msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:120 #: qtplugins/applycolors/applycolors.cpp:209 @@ -1843,7 +1832,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:754 msgctxt "colormap" msgid "Cividis" -msgstr "" +msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1853,11 +1842,9 @@ msgstr "" #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:302 #: qtplugins/surfaces/surfaces.cpp:756:183 rc.cpp:1615 -#, fuzzy -#| msgid "Neutral" msgctxt "colormap" msgid "Spectral" -msgstr "Nötr" +msgstr "Spektral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1867,7 +1854,7 @@ msgstr "Nötr" #: qtplugins/surfaces/surfaces.cpp:758:180 rc.cpp:1612 msgctxt "colormap" msgid "Coolwarm" -msgstr "" +msgstr "Soğuk sıcak" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1875,11 +1862,9 @@ msgstr "" #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:126 #: qtplugins/surfaces/surfaces.cpp:760:174 rc.cpp:1606 -#, fuzzy -#| msgid "Cancel" msgctxt "colormap" msgid "Balance" -msgstr "İptal" +msgstr "Denge" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1889,7 +1874,7 @@ msgstr "İptal" #: qtplugins/surfaces/surfaces.cpp:762:177 rc.cpp:1609 msgctxt "colormap" msgid "Blue-DarkRed" -msgstr "" +msgstr "Mavi-Koyu Kırmızı" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) @@ -1901,7 +1886,7 @@ msgstr "" #: qtplugins/surfaces/surfaces.cpp:764:186 rc.cpp:1618 msgctxt "colormap" msgid "Turbo" -msgstr "" +msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:138 msgid "Apply color schemes to atoms and residues." @@ -1971,6 +1956,7 @@ msgid "Bond-Centric Manipulation" msgstr "Bağ Merkezli Yönlendirme" #: qtplugins/bondcentrictool/bondcentrictool.cpp:124 +#, fuzzy msgid "" "Bond Centric Manipulation Tool\n" "\n" @@ -1983,6 +1969,17 @@ msgid "" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" +"Tahvil Merkezli Manipülasyon Aracı\n" +"\n" +"Sol Fare: Görünümü döndürmek için tıklayın ve sürükleyin.\n" +"Orta Fare: Yakınlaştırmak veya uzaklaştırmak için tıklayın ve sürükleyin.\n" +"Sağ Fare: Görünümü taşımak için tıklayın ve sürükleyin.\n" +"Çift Tıklama: \tGörünümü sıfırlayın.\n" +"\n" +"Manipülasyon Düzlemini ayarlamak için bir Bağın üzerine Sol Tıklayıp " +"Sürükleyin:\n" +"Açıyı değiştirmek için Bağdaki Atomlardan birini Sol Tıklayıp Sürükleyin\n" +"Uzunluğu değiştirmek için Bağdaki Atomlardan birine Sağ Tıklayıp Sürükleyin" #: qtplugins/bondcentrictool/bondcentrictool.cpp:776 #: qtplugins/bondcentrictool/bondcentrictool.cpp:864 @@ -2052,11 +2049,11 @@ msgstr "Bağ" #: qtplugins/bonding/bonding.cpp:74 msgid "Remove bonds from all or selected atoms." -msgstr "" +msgstr "Tüm atomlardan veya seçilen atomlardan bağları kaldırın." #: qtplugins/bonding/bonding.cpp:76 msgid "Create bonds between all or selected atoms." -msgstr "" +msgstr "Tüm atomlar veya seçilen atomlar arasında bağlar oluşturun." #: qtplugins/bonding/bonding.cpp:77 #, fuzzy @@ -2109,7 +2106,7 @@ msgstr "İp" #: qtplugins/cartoons/cartoons.h:34 msgid "Display of biomolecule ribbons / cartoons." -msgstr "" +msgstr "Biyomolekül şeritlerinin / karikatürlerinin gösterimi." #: qtplugins/centroid/centroid.cpp:20 #, fuzzy @@ -2119,12 +2116,12 @@ msgstr "Kısıtlama ekle" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Center of Mass" -msgstr "" +msgstr "Kütle Merkezi Ekleme" #: qtplugins/centroid/centroid.cpp:23 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" -msgstr "" +msgstr "Dikme Ekle" #: qtplugins/centroid/centroid.h:26 #, fuzzy @@ -2134,7 +2131,7 @@ msgstr "Ortala" #: qtplugins/centroid/centroid.h:30 msgid "Add centroids and center-of-mass." -msgstr "" +msgstr "Merkezleri ve kütle merkezini ekleyin." #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) @@ -3505,10 +3502,8 @@ msgstr "[molekül yok]" #. i18n: ectx: property (text), widget (QLabel, label_3) #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:217 #: qtplugins/molecularproperties/molecularpropertiesdialog.cpp:228:1111 -#, fuzzy -#| msgid "Molecular Dynamics" msgid "Molecule Name:" -msgstr "Molekül Dinamikleri" +msgstr "Molekül Adı:" #. i18n: file: qtplugins/molecularproperties/molecularpropertiesdialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_4) @@ -3582,10 +3577,8 @@ msgid " °" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:368 -#, fuzzy -#| msgid "Set Tolerance…" msgid "Angle tolerance:" -msgstr "Toleransı Ayarla…" +msgstr "Açı toleransı:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." @@ -5789,10 +5782,8 @@ msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) -#, fuzzy -#| msgid "Energy and Forces" msgid "Energy convergence:" -msgstr "Enerji ve Kuvvetler" +msgstr "Enerji yakınsaması:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) @@ -5922,7 +5913,7 @@ msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" -msgstr "" +msgstr "Formül:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton)