if __name__ == "__main__": deffn = pyfant.FileMolDB.default_filename parser = argparse.ArgumentParser(description=__doc__, formatter_class=a99.SmartFormatter) parser.add_argument('--fn_molconsts', type=str, help='File name for {}'.format( pyfant.FileMolConsts.description), default=pyfant.FileMolConsts.default_filename, nargs='?') parser.add_argument('--fn_config', type=str, help='File name for {}'.format( pyfant.FileConfigConvMol.description), default=pyfant.FileConfigConvMol.default_filename, nargs='?') args = parser.parse_args() _fnfn = [args.fn_molconsts, args.fn_config] fnfn = [ None if fn is None or not os.path.isfile(fn) else fn for fn in _fnfn ] app = a99.get_QApplication([]) form = pyfant.XConvMol() form.load_many(fnfn) form.show() sys.exit(app.exec_())
def test_MolConversionLog(): app = a99.get_QApplication() w = pyfant.MolConversionLog()
def test_WDBRegistry(): app = a99.get_QApplication() w = a99.WDBRegistry(a99.XLogMainWindow())
def test_XFileMolDB(): app = a99.get_QApplication() w = pyfant.XFileMolDB()
def test_WMolecularConstants(): app = a99.get_QApplication() w = pyfant.WMolecularConstants(a99.XLogMainWindow())
def test_XPFANT(): app = a99.get_QApplication() w = pyfant.XPFANT()
def test_XMulti(): app = a99.get_QApplication() w = pyfant.XMulti()
def test_XRunnableManager(): app = a99.get_QApplication() rm = pyfant.RunnableManager() w = pyfant.XRunnableManager(None, rm)