void InputFileExtension::readOutputFile(const QString filename)
{
QApplication::setOverrideCursor(Qt::WaitCursor);
OBConversion conv;
OBFormat *inFormat = conv.FormatFromExt( filename.toAscii() );
if ( !inFormat || !conv.SetInFormat( inFormat ) ) {
QApplication::restoreOverrideCursor();
QMessageBox::warning(m_widget, tr("Avogadro"),
tr("Cannot read file format of file %1.").arg(filename));
return;
}
// TODO: Switch to MoleculeFile
ifstream ifs;
ifs.open(QFile::encodeName(filename));
if (!ifs) { // shouldn't happen, already checked file above
QApplication::restoreOverrideCursor();
QMessageBox::warning(m_widget, tr("Avogadro"),
tr("Cannot read file %1.").arg( filename ) );
return;
}
OBMol *obmol = new OBMol;
if (conv.Read(obmol, &ifs)) {
Molecule *mol = new Molecule;
mol->setOBMol(obmol);
mol->setFileName(filename);
emit moleculeChanged(mol, Extension::DeleteOld);
m_molecule = mol;
}
QApplication::restoreOverrideCursor();
}
void CustomElements::setMolecule(QtGui::Molecule *mol)
{
if (m_molecule != mol) {
if (m_molecule)
m_molecule->disconnect(this);
m_molecule = mol;
if (m_molecule)
connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint)));
updateReassignAction();
}
}
void PlotXrd::setMolecule(QtGui::Molecule* mol)
{
if (m_molecule == mol)
return;
if (m_molecule)
m_molecule->disconnect(this);
m_molecule = mol;
if (m_molecule)
connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint)));
updateActions();
}
void Crystal::setMolecule(QtGui::Molecule *mol)
{
if (m_molecule == mol)
return;
if (m_molecule)
m_molecule->disconnect(this);
m_molecule = mol;
if (m_unitCellDialog)
m_unitCellDialog->setMolecule(m_molecule);
if (m_molecule)
connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint)));
updateActions();
}
void FileImportExtension::import()
{
QString fileName = m_fileImportDialog->fileName->text();
QApplication::setOverrideCursor(Qt::WaitCursor);
/* OBConversion conv;
OBFormat *inFormat = conv.FormatFromExt(( fileName.toAscii() ).data() );
if ( !inFormat || !conv.SetInFormat( inFormat ) ) {
QApplication::restoreOverrideCursor();
QMessageBox::warning(m_fileImportDialog, tr("Avogadro"),
tr("Cannot read file format of file %1.").arg(fileName));
return;
}
ifstream ifs;
ifs.open((fileName.toAscii()).data());
if (!ifs) { // shouldn't happen, already checked file above
QApplication::restoreOverrideCursor();
QMessageBox::warning(m_fileImportDialog, tr("Avogadro"),
tr("Cannot read file %1.").arg( fileName ) );
return;
}
OBMol *obmol = new OBMol; */
// Turn off bond perception
Molecule *mol = MoleculeFile::readMolecule(fileName, "", "b");
if (mol) {
Molecule *oldMol = m_molecule;
qDebug() << "Attempting to read parm file...";
readParmFile(mol);
qDebug() << "Parm file read...";
emit moleculeChanged(mol, Extension::DeleteOld | Extension::NewWindow);
oldMol->deleteLater();
}
else
qDebug() << "Reading molecule file failed...";
QApplication::restoreOverrideCursor();
}
