Esempio n. 1
0
void Crystal::scaleVolume()
{
  if (!m_molecule->unitCell())
    return;

  VolumeScalingDialog dlg;
  dlg.setCurrentVolume(m_molecule->unitCell()->volume());
  int reply = dlg.exec();
  if (reply != QDialog::Accepted)
    return;

  m_molecule->undoMolecule()->setCellVolume(
      dlg.newVolume(), dlg.transformAtoms() ? CrystalTools::TransformAtoms
                                            : CrystalTools::None);
}
Esempio n. 2
0
void Crystal::scaleVolume()
{
  if (!m_molecule->unitCell())
    return;

  VolumeScalingDialog dlg;
  dlg.setCurrentVolume(m_molecule->unitCell()->volume());
  int reply = dlg.exec();
  if (reply != QDialog::Accepted)
    return;

  CrystalTools::setVolume(*m_molecule, dlg.newVolume(),
                          dlg.transformAtoms() ? CrystalTools::TransformAtoms
                                               : CrystalTools::None);
  m_molecule->emitChanged(Molecule::Modified | Molecule::UnitCell
                          | (dlg.transformAtoms() ? Molecule::Atoms
                                                  : Molecule::NoChange));
}