String fileName = outFile.toString();
if (!fileName.endsWith(".smi") && !fileName.endsWith(".smiles")) {
fileName += ".smi";
outFile = new File(fileName);
}
cow = new SMILESWriter(new FileWriter(outFile));
if (cow != null && askIOSettings())
{
cow.addChemObjectIOListener(new SwingGUIListener(jcpPanel, IOSetting.Importance.HIGH));
}
Iterator<IAtomContainer> containers = ChemModelManipulator.getAllAtomContainers(model).iterator();