Crystal::Crystal(QObject *parent_) :
Avogadro::QtGui::ExtensionPlugin(parent_),
m_molecule(NULL),
m_unitCellDialog(NULL),
m_importCrystalClipboardAction(new QAction(this)),
m_editUnitCellAction(new QAction(this)),
m_buildSupercellAction(new QAction(this)),
m_niggliReduceAction(new QAction(this)),
m_scaleVolumeAction(new QAction(this)),
m_standardOrientationAction(new QAction(this)),
m_toggleUnitCellAction(new QAction(this)),
m_wrapAtomsToCellAction(new QAction(this))
{
m_importCrystalClipboardAction->setText(tr("Import Crystal from Clipboard"));
connect(m_importCrystalClipboardAction, SIGNAL(triggered()),
SLOT(importCrystalClipboard()));
m_actions.push_back(m_importCrystalClipboardAction);
m_importCrystalClipboardAction->setProperty("menu priority", 220);
// this will be changed when the molecule is set:
m_toggleUnitCellAction->setText(tr("Toggle Unit Cell"));
connect(m_toggleUnitCellAction, SIGNAL(triggered()), SLOT(toggleUnitCell()));
m_actions.push_back(m_toggleUnitCellAction);
m_toggleUnitCellAction->setProperty("menu priority", 210);
m_editUnitCellAction->setText(tr("Edit Unit Cell..."));
connect(m_editUnitCellAction, SIGNAL(triggered()), SLOT(editUnitCell()));
m_actions.push_back(m_editUnitCellAction);
m_editUnitCellAction->setProperty("menu priority", 190);
m_wrapAtomsToCellAction->setText(tr("&Wrap Atoms to Unit Cell"));
connect(m_wrapAtomsToCellAction, SIGNAL(triggered()),
SLOT(wrapAtomsToCell()));
m_actions.push_back(m_wrapAtomsToCellAction);
m_wrapAtomsToCellAction->setProperty("menu priority", 180);
m_standardOrientationAction->setText(tr("Rotate to Standard &Orientation"));
connect(m_standardOrientationAction, SIGNAL(triggered()),
SLOT(standardOrientation()));
m_actions.push_back(m_standardOrientationAction);
m_standardOrientationAction->setProperty("menu priority", 170);
m_scaleVolumeAction->setText(tr("Scale Cell &Volume"));
connect(m_scaleVolumeAction, SIGNAL(triggered()), SLOT(scaleVolume()));
m_actions.push_back(m_scaleVolumeAction);
m_scaleVolumeAction->setProperty("menu priority", 160);
m_buildSupercellAction->setText(tr("Build &Supercell"));
connect(m_buildSupercellAction, SIGNAL(triggered()), SLOT(buildSupercell()));
m_actions.push_back(m_buildSupercellAction);
m_buildSupercellAction->setProperty("menu priority", 150);
m_niggliReduceAction->setText(tr("Reduce Cell (&Niggli)"));
connect(m_niggliReduceAction, SIGNAL(triggered()), SLOT(niggliReduce()));
m_actions.push_back(m_niggliReduceAction);
m_niggliReduceAction->setProperty("menu priority", 140);
updateActions();
}
void Crystal::toggleUnitCell()
{
if (m_molecule->unitCell()) {
m_molecule->undoMolecule()->removeUnitCell();
}
else {
m_molecule->undoMolecule()->addUnitCell();
editUnitCell();
}
}
Crystal::Crystal(QObject *parent_) :
Avogadro::QtGui::ExtensionPlugin(parent_),
m_molecule(NULL),
m_unitCellDialog(NULL),
m_editUnitCellAction(new QAction(this)),
m_niggliReduceAction(new QAction(this)),
m_scaleVolumeAction(new QAction(this)),
m_standardOrientationAction(new QAction(this)),
m_toggleUnitCellAction(new QAction(this)),
m_wrapAtomsToCellAction(new QAction(this))
{
// this will be changed when the molecule is set:
m_toggleUnitCellAction->setText(tr("Toggle Unit Cell"));
connect(m_toggleUnitCellAction, SIGNAL(triggered()), SLOT(toggleUnitCell()));
m_actions.push_back(m_toggleUnitCellAction);
m_toggleUnitCellAction->setProperty("menu priority", -1);
m_editUnitCellAction->setText(tr("Edit Unit Cell..."));
connect(m_editUnitCellAction, SIGNAL(triggered()), SLOT(editUnitCell()));
m_actions.push_back(m_editUnitCellAction);
m_editUnitCellAction->setProperty("menu priority", -50);
m_wrapAtomsToCellAction->setText(tr("&Wrap Atoms to Unit Cell"));
connect(m_wrapAtomsToCellAction, SIGNAL(triggered()),
SLOT(wrapAtomsToCell()));
m_actions.push_back(m_wrapAtomsToCellAction);
m_wrapAtomsToCellAction->setProperty("menu priority", -200);
m_standardOrientationAction->setText(tr("Rotate to Standard &Orientation"));
connect(m_standardOrientationAction, SIGNAL(triggered()),
SLOT(standardOrientation()));
m_actions.push_back(m_standardOrientationAction);
m_standardOrientationAction->setProperty("menu priority", -250);
m_scaleVolumeAction->setText(tr("Scale Cell &Volume"));
connect(m_scaleVolumeAction, SIGNAL(triggered()), SLOT(scaleVolume()));
m_actions.push_back(m_scaleVolumeAction);
m_scaleVolumeAction->setProperty("menu priority", -275);
m_niggliReduceAction->setText(tr("Reduce Cell (&Niggli)"));
connect(m_niggliReduceAction, SIGNAL(triggered()), SLOT(niggliReduce()));
m_actions.push_back(m_niggliReduceAction);
m_niggliReduceAction->setProperty("menu priority", -350);
updateActions();
}
void Crystal::toggleUnitCell()
{
if (m_molecule->unitCell()) {
m_molecule->setUnitCell(NULL);
m_molecule->emitChanged(Molecule::UnitCell | Molecule::Removed);
}
else {
UnitCell *cell = new UnitCell;
cell->setCellParameters(static_cast<Real>(3.0),
static_cast<Real>(3.0),
static_cast<Real>(3.0),
static_cast<Real>(90.0) * DEG_TO_RAD,
static_cast<Real>(90.0) * DEG_TO_RAD,
static_cast<Real>(90.0) * DEG_TO_RAD);
m_molecule->setUnitCell(cell);
m_molecule->emitChanged(Molecule::UnitCell | Molecule::Added);
editUnitCell();
}
}