Hydrogens::Hydrogens(QObject *parent_) :
Avogadro::QtGui::ExtensionPlugin(parent_),
m_molecule(NULL)
{
QAction *action = new QAction(tr("Adjust &Hydrogens (Add and Remove)"), this);
action->setShortcut(QKeySequence("Ctrl+Alt+H"));
connect(action, SIGNAL(triggered()), SLOT(adjustHydrogens()));
m_actions.append(action);
action = new QAction(tr("Adjust Hydrogens (&Add Only)"), this);
connect(action, SIGNAL(triggered()), SLOT(addHydrogens()));
m_actions.append(action);
action = new QAction(tr("Adjust Hydrogens (&Remove Only)"), this);
connect(action, SIGNAL(triggered()), SLOT(removeHydrogens()));
m_actions.append(action);
action = new QAction(tr("&Remove All Hydrogens"), this);
connect(action, SIGNAL(triggered()), SLOT(removeAllHydrogens()));
m_actions.append(action);
}
void MainWindow::createMenus()
{
QAction* action;
QString name;
QMenu* menu;
QMenu* subMenu;
// ----- File Menu -----
menu = menuBar()->addMenu("File");
name = "About";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(showAbout()));
name = "New Molecule";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewerModel, SLOT(newMoleculeMenu()));
action->setShortcut(QKeySequence::New);
name = "New Viewer";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(newViewer()));
name = "Open";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(openFile()));
action->setShortcut(QKeySequence::Open);
name = "Open Recent";
m_recentFilesMenu = menu->addMenu(name);
updateRecentFilesMenu();
menu->addSeparator();
/*
name = "Parse Test File";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(parseFile()));
menu->addSeparator();
*/
name = "Close Viewer";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(close()));
action->setShortcut(QKeySequence::Close);
name = "Save";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewerModel, SLOT(saveAll()));
action->setShortcut(QKeySequence::Save);
name = "Save As";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewerModel, SLOT(saveAs()));
action->setShortcut(Qt::SHIFT + Qt::CTRL + Qt::Key_S);
menu->addSeparator();
name = "Save Picture";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewer, SLOT(saveSnapshot()));
action->setShortcut(Qt::CTRL + Qt::Key_P);
name = "Record Animation";
action = menu->addAction(name);
action->setCheckable(true);
action->setChecked(false);
connect(action, SIGNAL(triggered()), this, SLOT(toggleRecordingActive()));
action->setShortcut(Qt::SHIFT + Qt::CTRL + Qt::Key_P);
m_recordAnimationAction = action;
name = "Show Message Log";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(showLogMessages()));
action->setShortcut(Qt::CTRL + Qt::Key_L);
name = "Quit";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(quit()));
action->setShortcut(Qt::CTRL + Qt::Key_Q);
// ----- Edit Menu -----
menu = menuBar()->addMenu("Edit");
name = "Undo";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_undoStack, SLOT(undo()));
action->setShortcut(QKeySequence::Undo);
connect(&m_undoStack, SIGNAL(canUndoChanged(bool)), action, SLOT(setEnabled(bool)));
name = "Redo";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_undoStack, SLOT(redo()));
action->setShortcut(QKeySequence::Redo);
connect(&m_undoStack, SIGNAL(canRedoChanged(bool)), action, SLOT(setEnabled(bool)));
menu->addSeparator();
name = "Cut";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewerModel, SLOT(cutSelection()));
action->setShortcut(Qt::CTRL + Qt::Key_X);
name = "Copy";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewerModel, SLOT(copySelectionToClipboard()));
action->setShortcut(Qt::CTRL + Qt::Key_C);
name = "Paste";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewerModel, SLOT(pasteSelectionFromClipboard()));
action->setShortcut(Qt::CTRL + Qt::Key_V);
menu->addSeparator();
name = "Select All";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewerModel, SLOT(selectAll()));
action->setShortcut(Qt::CTRL + Qt::Key_A);
name = "Select None";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewerModel, SIGNAL(clearSelection()));
action->setShortcut(Qt::SHIFT + Qt::CTRL + Qt::Key_A);
name = "Invert Selection";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewerModel, SLOT(invertSelection()));
action->setShortcut(Qt::CTRL + Qt::Key_I);
menu->addSeparator();
name = "Reindex Atoms";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(reindexAtoms()));
menu->addSeparator();
name = "Preferences";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(showPreferences()));
// ----- Display Menu -----
menu = menuBar()->addMenu("Display");
name = "Full Screen";
action = menu->addAction(name);
action->setCheckable(true);
action->setChecked(false);
connect(action, SIGNAL(triggered()), this, SLOT(fullScreen()));
action->setShortcut(Qt::CTRL + Qt::Key_0);
m_fullScreenAction = action;
name = "Reset View";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewer, SLOT(resetView()));
action->setShortcut(Qt::CTRL + Qt::Key_R);
name = "Show Axes";
action = menu->addAction(name);
action->setCheckable(true);
action->setChecked(false);
connect(action, SIGNAL(triggered()), &m_viewerModel, SLOT(toggleAxes()));
connect(&m_viewerModel, SIGNAL(axesOn(bool)), action, SLOT(setChecked(bool)));
action->setShortcut(Qt::Key_A);
menu->addSeparator();
name = "Atom Labels";
subMenu = menu->addMenu(name);
name = "Element";
action = subMenu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(setLabel()));
action->setData(Layer::Atom::Element);
action->setShortcut(Qt::Key_E);
action->setCheckable(true);
m_labelActions << action;
name = "Index";
action = subMenu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(setLabel()));
action->setData(Layer::Atom::Index);
action->setShortcut(Qt::Key_I);
action->setCheckable(true);
m_labelActions << action;
name = "Mass";
action = subMenu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(setLabel()));
action->setData(Layer::Atom::Mass);
action->setShortcut(Qt::Key_M);
action->setCheckable(true);
m_labelActions << action;
/*
name = "NMR Shifts";
action = subMenu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(setLabel()));
action->setData(Layer::Atom::NmrShifts);
action->setShortcut(Qt::Key_N);
action->setCheckable(true);
m_labelActions << action;
*/
name = "Partial Charge";
action = subMenu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(setLabel()));
action->setData(Layer::Atom::Charge);
action->setShortcut(Qt::Key_Q);
action->setCheckable(true);
m_labelActions << action;
name = "Spin Densities";
action = subMenu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(setLabel()));
action->setData(Layer::Atom::Spin);
action->setShortcut(Qt::Key_S);
action->setCheckable(true);
m_labelActions << action;
menu->addSeparator();
name = "Configure Appearance";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(configureAppearance()));
// These are not working correctly at the moment.
/*
name = "Partial Charge Type";
QActionGroup* partialChargeGroup = new QActionGroup(this);
subMenu = menu->addMenu(name);
QString pc("Gasteiger");
action = subMenu->addAction(pc);
action->setCheckable(true);
action->setChecked(true);
action->setData(pc);
partialChargeGroup->addAction(action);
connect(action, SIGNAL(triggered()), this, SLOT(setPartialChargeType()));
pc = "Sanderson";
action = subMenu->addAction(pc);
action->setCheckable(true);
action->setData(pc);
partialChargeGroup->addAction(action);
connect(action, SIGNAL(triggered()), this, SLOT(setPartialChargeType()));
pc = "Mulliken";
action = subMenu->addAction(pc);
action->setCheckable(true);
action->setData(pc);
partialChargeGroup->addAction(action);
connect(action, SIGNAL(triggered()), this, SLOT(setPartialChargeType()));
*/
// ----- Build Menu -----
menu = menuBar()->addMenu("Build");
name = "Fill Valencies With Hydrogens";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewerModel, SLOT(addHydrogens()));
action->setShortcut(Qt::CTRL + Qt::Key_F);
name = "Reperceive Bonds";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewerModel, SLOT(reperceiveBonds()));
menu->addSeparator();
name = "Set Constraint";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewerModel, SLOT(setConstraint()));
action->setShortcut(Qt::CTRL + Qt::Key_K);
name = "Minimize Structure";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewerModel, SLOT(minimizeEnergy()));
action->setShortcut(Qt::CTRL + Qt::Key_M);
name = "Select Force Field";
QActionGroup* forceFieldGroup = new QActionGroup(this);
subMenu = menu->addMenu(name);
QString ff("MMFF94");
action = subMenu->addAction(ff);
action->setCheckable(true);
action->setData(ff);
forceFieldGroup->addAction(action);
connect(action, SIGNAL(triggered()), this, SLOT(setForceField()));
if (Preferences::DefaultForceField() == ff) action->setChecked(true);
ff = "MMFF94s";
action = subMenu->addAction(ff);
action->setCheckable(true);
action->setData(ff);
forceFieldGroup->addAction(action);
connect(action, SIGNAL(triggered()), this, SLOT(setForceField()));
if (Preferences::DefaultForceField() == ff) action->setChecked(true);
ff = "UFF";
action = subMenu->addAction(ff);
action->setCheckable(true);
action->setData(ff);
forceFieldGroup->addAction(action);
connect(action, SIGNAL(triggered()), this, SLOT(setForceField()));
if (Preferences::DefaultForceField() == ff) action->setChecked(true);
ff = "Ghemical";
action = subMenu->addAction(ff);
action->setCheckable(true);
action->setData(ff);
forceFieldGroup->addAction(action);
connect(action, SIGNAL(triggered()), this, SLOT(setForceField()));
if (Preferences::DefaultForceField() == ff) action->setChecked(true);
ff = "Gaff";
action = subMenu->addAction(ff);
action->setCheckable(true);
action->setData(ff);
forceFieldGroup->addAction(action);
connect(action, SIGNAL(triggered()), this, SLOT(setForceField()));
if (Preferences::DefaultForceField() == ff) action->setChecked(true);
menu->addSeparator();
name = "Translate To Center";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewerModel, SLOT(translateToCenter()));
action->setShortcut(Qt::CTRL + Qt::Key_T );
name = "Symmetrize Molecule";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewerModel, SLOT(symmetrize()));
action->setShortcut(Qt::CTRL + Qt::Key_Y );
name = "Set Symmetry Tolerance";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), &m_viewerModel, SLOT(adjustSymmetryTolerance()));
name = "Auto-detect Symmetry";
action = menu->addAction(name);
action->setCheckable(true);
action->setChecked(false);
connect(action, SIGNAL(triggered()), &m_viewerModel, SLOT(toggleAutoDetectSymmetry()));
// ----- Calculation Menu -----
menu = menuBar()->addMenu("Calculation");
name = "Q-Chem Setup";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(openQChemUI()));
action->setShortcut(Qt::CTRL + Qt::Key_U );
m_qchemSetupAction = action;
name = "Job Monitor";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(showProcessMonitor()));
action->setShortcut(Qt::CTRL + Qt::Key_J );
menu->addSeparator();
name = "Edit Servers";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(editServers()));
name = "Remove All Processes";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()),
&(ProcessMonitor::instance()), SLOT(clearProcessList()));
name = "Reset Password Vault Key";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(setVaultPassword()));
// ----- Help Menu -----
menu = menuBar()->addMenu("Help");
name = "Show Help";
action = menu->addAction(name);
connect(action, SIGNAL(triggered()), this, SLOT(showHelp()));
}
void MainWindow::createConnections()
{
connect(&m_toolBar, SIGNAL(newMolecule()),
&m_viewerModel, SLOT(newMoleculeMenu()));
connect(&m_toolBar, SIGNAL(open()),
this, SLOT(openFile()));
connect(&m_toolBar, SIGNAL(save()),
&m_viewerModel, SLOT(saveAll()));
connect(&m_toolBar, SIGNAL(addHydrogens()),
&m_viewerModel, SLOT(addHydrogens()));
connect(&m_toolBar, SIGNAL(minimizeEnergy()),
&m_viewerModel, SLOT(minimizeEnergy()));
connect(&m_toolBar, SIGNAL(deleteSelection()),
&m_viewerModel, SLOT(deleteSelection()));
connect(&m_toolBar, SIGNAL(takeSnapshot()),
&m_viewer, SLOT(saveSnapshot()));
connect(&m_toolBar, SIGNAL(record(bool)),
this, SLOT(setRecordingActive(bool)));
connect(this, SIGNAL(recordingActive(bool)),
&m_toolBar, SLOT(setRecordAnimationButtonChecked(bool)));
connect(this, SIGNAL(recordingActive(bool)),
&m_viewer, SLOT(setRecordingActive(bool)));
connect(&m_viewer, SIGNAL(recordingCancelled()),
this, SLOT(recordingCancelled()));
connect(&m_toolBar, SIGNAL(fullScreen()),
this, SLOT(fullScreen()));
connect(&m_toolBar, SIGNAL(showHelp()),
this, SLOT(showHelp()));
connect(&m_toolBar, SIGNAL(viewerModeChanged(Viewer::Mode const)),
&m_viewer, SLOT(setActiveViewerMode(Viewer::Mode const)));
connect(&m_toolBar, SIGNAL(buildElementSelected(unsigned int)),
&m_viewer, SLOT(setDefaultBuildElement(unsigned int)));
connect(&m_toolBar,
SIGNAL(buildFragmentSelected(QString const&, Viewer::Mode const)),
&m_viewer,
SLOT(setDefaultBuildFragment(QString const&, Viewer::Mode const)));
// ViewerModel
connect(&m_viewerModel, SIGNAL(updated()),
&m_viewer, SLOT(updateGL()));
connect(&m_viewerView, SIGNAL(doubleClicked(QModelIndex const&)),
&m_viewerModel, SLOT(itemDoubleClicked(QModelIndex const&)));
connect(&m_viewerView, SIGNAL(expanded(QModelIndex const&)),
&m_viewerModel, SLOT(itemExpanded(QModelIndex const&)));
connect(&m_viewerModel, SIGNAL(sceneRadiusChanged(double const)),
&m_viewer, SLOT(setSceneRadius(double const)));
connect(&m_viewerModel, SIGNAL(changeActiveViewerMode(Viewer::Mode const)),
&m_viewer, SLOT(setActiveViewerMode(Viewer::Mode const)));
connect(&m_viewerModel, SIGNAL(displayMessage(QString const&)),
&m_viewer, SLOT(displayMessage(QString const&)));
connect(&m_viewerModel, SIGNAL(postCommand(QUndoCommand*)),
this, SLOT(addCommand(QUndoCommand*)));
connect(&m_viewerModel, SIGNAL(foregroundColorChanged(QColor const&)),
&m_viewer, SLOT(setForegroundColor(QColor const&)));
connect(&(ProcessMonitor::instance()), SIGNAL(resultsAvailable(JobInfo*)),
&m_viewerModel, SLOT(openCalculationResults(JobInfo*)));
// Viewer
connect(&m_viewer, SIGNAL(enableUpdate(bool const)),
&m_viewerModel, SLOT(enableUpdate(bool const)));
connect(&m_viewerModel, SIGNAL(pushAnimators(AnimatorList const&)),
&m_viewer, SLOT(pushAnimators(AnimatorList const&)));
connect(&m_viewerModel, SIGNAL(popAnimators(AnimatorList const&)),
&m_viewer, SLOT(popAnimators(AnimatorList const&)));
connect(&m_viewer, SIGNAL(postCommand(QUndoCommand*)),
this, SLOT(addCommand(QUndoCommand*)));
connect(&m_viewer, SIGNAL(openFileFromDrop(QString const&)),
this, SLOT(openFile(QString const&)));
connect(&m_viewer, SIGNAL(activeViewerModeChanged(Viewer::Mode const)),
&m_toolBar, SLOT(setToolBarMode(Viewer::Mode const)));
connect(&m_viewer, SIGNAL(escapeFullScreen()),
this, SLOT(fullScreen()));
connect(&m_viewer, SIGNAL(animationStep()),
&m_viewerModel, SLOT(reperceiveBondsForAnimation()));
// Selection
connect(&m_viewerSelectionModel,
SIGNAL(selectionChanged(QItemSelection const&, QItemSelection const&)),
&m_viewerModel, SLOT(selectionChanged(QItemSelection const&, QItemSelection const&)) );
connect(&m_viewerModel,
SIGNAL(selectionChanged(QItemSelection const&, QItemSelectionModel::SelectionFlags)),
&m_viewerSelectionModel,
SLOT(select(QItemSelection const&, QItemSelectionModel::SelectionFlags)) );
connect(&m_viewerModel, SIGNAL(clearSelection()),
&m_viewerSelectionModel, SLOT(clearSelection()));
connect(&m_viewer, SIGNAL(clearSelection()),
&m_viewerSelectionModel, SLOT(clearSelection()));
connect(&m_viewer,
SIGNAL(select(QModelIndex const&, QItemSelectionModel::SelectionFlags)),
&m_viewerSelectionModel,
SLOT(select(QModelIndex const&, QItemSelectionModel::SelectionFlags)));
connect(&m_viewerModel,
SIGNAL(select(QModelIndex const&, QItemSelectionModel::SelectionFlags)),
&m_viewerSelectionModel,
SLOT(select(QModelIndex const&, QItemSelectionModel::SelectionFlags)));
}
