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Merge pull request #1404 from ghutchis/surface-ui-fixes
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Fix a few UI / UX issues in the surface dialog
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@ghutchis
ghutchis authored Oct 25, 2023
2 parents 34dfb0d + 7c60469 commit 438f584
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Showing 2 changed files with 67 additions and 56 deletions.
62 changes: 37 additions & 25 deletions avogadro/qtplugins/surfaces/surfacedialog.cpp
View file
Original file line number Diff line number Diff line change
Expand Up @@ -11,15 +11,14 @@ 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);

setupSteps(1);

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
Expand Down Expand Up @@ -69,7 +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());
}
}
Expand Down Expand Up @@ -151,28 +150,36 @@ 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)
Expand Down Expand Up @@ -204,21 +211,25 @@ 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);
Expand All @@ -231,8 +242,8 @@ void SurfaceDialog::setupSteps(int stepCount)
}

void SurfaceDialog::setupModels(
const std::set<std::pair<std::string, std::string>> &chargeModels
) {
const std::set<std::pair<std::string, std::string>>& chargeModels)
{
m_chargeModels = chargeModels;
}

Expand All @@ -243,7 +254,8 @@ Surfaces::Type SurfaceDialog::surfaceType()

Surfaces::ColorProperty SurfaceDialog::colorProperty()
{
return static_cast<Surfaces::ColorProperty>(m_ui->propertyCombo->currentIndex());
return static_cast<Surfaces::ColorProperty>(
m_ui->propertyCombo->currentIndex());
}

QString SurfaceDialog::colorModel()
Expand Down Expand Up @@ -320,4 +332,4 @@ void SurfaceDialog::enableRecord()
m_ui->recordButton->setEnabled(true);
}

} // End namespace Avogadro
} // namespace Avogadro::QtPlugins
61 changes: 30 additions & 31 deletions avogadro/qtplugins/surfaces/surfacedialog.ui
View file
Original file line number Diff line number Diff line change
Expand Up @@ -12,8 +12,8 @@
<rect>
<x>0</x>
<y>0</y>
<width>610</width>
<height>337</height>
<width>443</width>
<height>354</height>
</rect>
</property>
<property name="contextMenuPolicy">
Expand All @@ -30,7 +30,7 @@
</property>
<layout class="QVBoxLayout" name="verticalLayout">
<item>
<layout class="QGridLayout" name="gridLayout">
<layout class="QFormLayout" name="formLayout">
<item row="0" column="0">
<widget class="QLabel" name="label">
<property name="text">
Expand Down Expand Up @@ -122,13 +122,6 @@
</property>
</widget>
</item>
<item>
<widget class="QComboBox" name="chargeCombo">
<property name="enabled">
<bool>false</bool>
</property>
</widget>
</item>
<item>
<spacer name="horizontalSpacer_4">
<property name="orientation">
Expand Down Expand Up @@ -314,6 +307,9 @@
<layout class="QHBoxLayout" name="horizontalLayout_3">
<item>
<widget class="QDoubleSpinBox" name="isosurfaceDoubleSpinBox">
<property name="prefix">
<string> </string>
</property>
<property name="decimals">
<number>4</number>
</property>
Expand Down Expand Up @@ -402,16 +398,16 @@
<bool>false</bool>
</property>
<property name="minimum">
<double>0</double>
<number>0</number>
</property>
<property name="maximum">
<double>19</double>
<number>19</number>
</property>
<property name="singleStep">
<double>1</double>
<number>1</number>
</property>
<property name="value">
<double>5</double>
<number>5</number>
</property>
</widget>
</item>
Expand All @@ -431,7 +427,7 @@
</layout>
</item>
<item row="6" column="0">
<widget class="QLabel" name="label_5">
<widget class="QLabel" name="frameLabel">
<property name="text">
<string>Frame:</string>
</property>
Expand All @@ -458,7 +454,8 @@
<string/>
</property>
<property name="icon">
<iconset theme="media-seek-backward"/>
<iconset theme="media-seek-backward">
<normaloff>.</normaloff>.</iconset>
</property>
</widget>
</item>
Expand All @@ -471,7 +468,8 @@
<string/>
</property>
<property name="icon">
<iconset theme="media-playback-start"/>
<iconset theme="media-playback-start">
<normaloff>.</normaloff>.</iconset>
</property>
</widget>
</item>
Expand All @@ -484,7 +482,8 @@
<string/>
</property>
<property name="icon">
<iconset theme="media-seek-forward"/>
<iconset theme="media-seek-forward">
<normaloff>.</normaloff>.</iconset>
</property>
</widget>
</item>
Expand All @@ -505,19 +504,6 @@
</item>
</layout>
</item>
<item>
<spacer name="verticalSpacer">
<property name="orientation">
<enum>Qt::Vertical</enum>
</property>
<property name="sizeHint" stdset="0">
<size>
<width>20</width>
<height>40</height>
</size>
</property>
</spacer>
</item>
<item>
<layout class="QHBoxLayout" name="horizontalLayout_4">
<item>
Expand Down Expand Up @@ -555,6 +541,19 @@
</item>
</layout>
</item>
<item>
<spacer name="verticalSpacer">
<property name="orientation">
<enum>Qt::Vertical</enum>
</property>
<property name="sizeHint" stdset="0">
<size>
<width>20</width>
<height>40</height>
</size>
</property>
</spacer>
</item>
</layout>
</widget>
<resources/>
Expand Down

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