def testBasics(self): self.assertTrue(self.m1 is not None) sgs = Chem.GetMolSGroups(self.m1) self.assertEqual(len(sgs), 2) self.assertTrue(sgs[0].HasProp("TYPE")) self.assertTrue(sgs[1].HasProp("TYPE")) self.assertEqual(sgs[0].GetProp("TYPE"), "DAT") self.assertEqual(sgs[1].GetProp("TYPE"), "DAT") self.assertTrue(sgs[0].HasProp("FIELDNAME")) self.assertEqual(sgs[0].GetProp("FIELDNAME"), "pH") self.assertEqual(sorted(sgs[0].GetPropNames()), [ 'DATAFIELDS', 'FIELDDISP', 'FIELDINFO', 'FIELDNAME', 'FIELDTYPE', 'ID', 'QUERYOP', 'QUERYTYPE', 'TYPE' ]) dd = sgs[0].GetPropsAsDict() self.assertTrue("TYPE" in dd) self.assertEqual(dd["TYPE"], "DAT") self.assertTrue("FIELDNAME" in dd) self.assertEqual(dd["FIELDNAME"], "pH") Chem.ClearMolSGroups(self.m1) self.assertEqual(len(Chem.GetMolSGroups(self.m1)), 0)