Merge pull request #1830 from ghutchis/cache-scripts

When possible, load script names from cache

avogadro/qtgui/scriptloader.cpp

@@ -14,6 +14,7 @@
 #include <QtCore/QDir>
 #include <QtCore/QJsonArray>
 #include <QtCore/QJsonDocument>
+#include <QtCore/QSettings>
 #include <QtCore/QStandardPaths>
 
 namespace Avogadro::QtGui {
@@ -42,6 +43,14 @@ QMultiMap<QString, QString> ScriptLoader::scriptList(const QString& type)
   QStringList dirs;
   QMultiMap<QString, QString> scriptList;
 
+  QSettings settings; // to cache the names of scripts
+  QStringList scriptFiles = settings.value("scripts/" + type).toStringList();
+  QStringList scriptNames =
+    settings.value("scripts/" + type + "/names").toStringList();
+  // hash from the last modified time and size of the scripts
+  QStringList scriptHashes =
+    settings.value("scripts/" + type + "/hashes").toStringList();
+
   // add the default paths
   QStringList stdPaths =
     QStandardPaths::standardLocations(QStandardPaths::AppLocalDataLocation);
@@ -56,7 +65,9 @@ QMultiMap<QString, QString> ScriptLoader::scriptList(const QString& type)
   // build up a list of possible files, then we check if they're real scripts
   QStringList fileList;
   foreach (const QString& dirStr, dirs) {
+#ifndef NDEBUG
     qDebug() << tr("Checking for %1 scripts in path %2").arg(type).arg(dirStr);
+#endif
     QDir dir(dirStr);
     if (dir.exists() && dir.isReadable()) {
       foreach (
@@ -118,6 +129,21 @@ QMultiMap<QString, QString> ScriptLoader::scriptList(const QString& type)
 
   // go through the list of files to see if they're actually scripts
   foreach (const QString& filePath, fileList) {
+    QFileInfo file(filePath);
+    // check if we have this from the last time
+    if (scriptFiles.contains(filePath)) {
+      int index = scriptFiles.indexOf(filePath);
+      if (index != -1) {
+        QString hash = scriptHashes.at(index);
+        // got a match?
+        if (hash ==
+            QString::number(file.size()) + file.lastModified().toString()) {
+          scriptList.insert(scriptNames.at(index), filePath);
+          continue;
+        }
+      }
+    }
+
     QString displayName;
     if (queryProgramName(filePath, displayName)) {
       if (displayName.isEmpty())
@@ -126,14 +152,27 @@ QMultiMap<QString, QString> ScriptLoader::scriptList(const QString& type)
       // Might be another script with the same name
       if (scriptList.contains(displayName)) {
         // check the last-modified-time of the existing case
-        QFileInfo file(filePath);
         QFileInfo existingFile(scriptList.value(displayName));
         if (file.lastModified() > existingFile.lastModified()) {
           // replace existing with this new entry
           scriptList.replace(displayName, filePath);
+          // update the cache
+          int index = scriptFiles.indexOf(filePath);
+          if (index != -1) {
+            scriptFiles.replace(index, filePath);
+            scriptNames.replace(index, displayName);
+            scriptHashes.replace(index, QString::number(file.size()) +
+                                          file.lastModified().toString());
+          }
         }
-      } else // new entry
+      } else { // new entry
         scriptList.insert(displayName, filePath);
+        // update the cache
+        scriptFiles << filePath;
+        scriptNames << displayName;
+        scriptHashes << QString::number(file.size()) +
+                          file.lastModified().toString();
+      }
     } // run queryProgramName
   }   // foreach files
 

avogadro/qtplugins/commandscripts/command.cpp

@@ -65,6 +65,17 @@ QStringList Command::menuPath(QAction* action) const
     return path;
   }
 
+  // cache the menu paths
+  QSettings settings;
+  QFileInfo info(scriptFileName); // check if the script matches the hash
+  QString hash =
+    settings.value("scripts/" + scriptFileName + "/hash").toString();
+  if (hash == QString::number(info.size()) + info.lastModified().toString()) {
+    path = settings.value("scripts/" + scriptFileName + "/menu").toStringList();
+    if (!path.isEmpty())
+      return path;
+  }
+
   // otherwise, we have a script name, so ask it
   InterfaceScript gen(scriptFileName);
   path = gen.menuPath().split('|');
@@ -93,12 +104,15 @@ QStringList Command::menuPath(QAction* action) const
   // add it back to the path
   path << lastPart;
 
+  // cache the path
+  settings.setValue("scripts/" + scriptFileName + "/menu", path);
+
   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
+  // not ideal, but most menus should already be in the translation file
   QStringList translatedPath;
   foreach (QString part, path)
     translatedPath << tr(part.toUtf8());

avogadro/qtplugins/forcefield/CMakeLists.txt

@@ -61,5 +61,6 @@ if (NOT BUILD_GPL_PLUGINS)
   )
 endif()
 
-install(PROGRAMS ${forcefields}
-DESTINATION "${INSTALL_LIBRARY_DIR}/avogadro2/scripts/energy/")
+# Don't install the scripts - we'll use these as plugins
+# install(PROGRAMS ${forcefields}
+# DESTINATION "${INSTALL_LIBRARY_DIR}/avogadro2/scripts/energy/")

avogadro/qtplugins/forcefield/forcefield.cpp

@@ -14,6 +14,7 @@
 
 #include <QtCore/QDebug>
 #include <QtCore/QSettings>
+#include <QtCore/QTimer>
 
 #include <QAction>
 #include <QtWidgets/QMessageBox>
@@ -65,24 +66,6 @@ Forcefield::Forcefield(QObject* parent_)
   m_gradientTolerance = settings.value("gradientTolerance", 1.0e-4).toDouble();
   settings.endGroup();
 
-  // prefer to use Python interface scripts if available
-  refreshScripts();
-
-  // add the openbabel calculators in case they don't exist
-#ifdef BUILD_GPL_PLUGINS
-  // These directly use Open Babel and are fast
-  qDebug() << " registering GPL plugins";
-  Calc::EnergyManager::registerModel(new OBEnergy("MMFF94"));
-  Calc::EnergyManager::registerModel(new OBEnergy("UFF"));
-  Calc::EnergyManager::registerModel(new OBEnergy("GAFF"));
-#else
-  // These call obmm and can be slower
-  qDebug() << " registering obmm plugins";
-  Calc::EnergyManager::registerModel(new OBMMEnergy("MMFF94"));
-  Calc::EnergyManager::registerModel(new OBMMEnergy("UFF"));
-  Calc::EnergyManager::registerModel(new OBMMEnergy("GAFF"));
-#endif
-
   QAction* action = new QAction(this);
   action->setEnabled(true);
   action->setText(tr("Optimize Geometry"));
@@ -133,6 +116,9 @@ Forcefield::Forcefield(QObject* parent_)
   action->setData(unfreezeAction);
   connect(action, SIGNAL(triggered()), SLOT(unfreezeSelected()));
   m_actions.push_back(action);
+
+  // single-shot timer to allow the GUI to start up
+  QTimer::singleShot(500, this, SLOT(deferredStart()));
 }
 
 Forcefield::~Forcefield() {}
@@ -142,6 +128,28 @@ QList<QAction*> Forcefield::actions() const
   return m_actions;
 }
 
+void Forcefield::deferredStart()
+{
+
+  // prefer to use Python interface scripts if available
+  refreshScripts();
+
+  // add the openbabel calculators in case they don't exist
+#ifdef BUILD_GPL_PLUGINS
+  // These directly use Open Babel and are fast
+  qDebug() << " registering GPL plugins";
+  Calc::EnergyManager::registerModel(new OBEnergy("MMFF94"));
+  Calc::EnergyManager::registerModel(new OBEnergy("UFF"));
+  Calc::EnergyManager::registerModel(new OBEnergy("GAFF"));
+#else
+  // These call obmm and can be slower
+  qDebug() << " registering obmm plugins";
+  Calc::EnergyManager::registerModel(new OBMMEnergy("MMFF94"));
+  Calc::EnergyManager::registerModel(new OBMMEnergy("UFF"));
+  Calc::EnergyManager::registerModel(new OBMMEnergy("GAFF"));
+#endif
+}
+
 QStringList Forcefield::menuPath(QAction* action) const
 {
   QStringList path;

avogadro/qtplugins/forcefield/forcefield.h

@@ -76,6 +76,8 @@ private slots:
   void freezeSelected();
   void unfreezeSelected();
 
+  void deferredStart();
+
 private:
   QList<QAction*> m_actions;
   QtGui::Molecule* m_molecule = nullptr;

avogadro/qtplugins/quantuminput/quantuminput.cpp

@@ -154,7 +154,7 @@ void QuantumInput::updateActions()
     // Include the full path if there are multiple generators with the same
     // name.
     QString label = programName;
-    if (!label.endsWith("…") && !label.endsWith("…"))
+    if (!label.endsWith("…") && !label.endsWith("..."))
       label.append("…");
 
     if (scripts.size() == 1) {