diff --git a/rmgpy/data/kinetics/familyTest.py b/rmgpy/data/kinetics/familyTest.py index 1082c7624de..e31ba6a474f 100644 --- a/rmgpy/data/kinetics/familyTest.py +++ b/rmgpy/data/kinetics/familyTest.py @@ -68,7 +68,8 @@ def setUpClass(cls): '1,2_shiftC', 'Intra_R_Add_Exo_scission', 'intra_substitutionS_isomerization', - 'R_Addition_COm' + 'R_Addition_COm', + 'R_Recombination' ], ) cls.family = cls.database.families['intra_H_migration'] @@ -637,7 +638,16 @@ def testSaveFamily(self): os.path.join(settings['test_data.directory'], 'testing_database/kinetics/families/intra_H_copy/training/dictionary.txt'))) finally: shutil.rmtree(os.path.join(settings['test_data.directory'], 'testing_database/kinetics/families/intra_H_copy')) - + + def testReactantNumID(self): + """ + Tests that templates aren't applied to the incorrect + number of reactants + """ + family = self.database.families['R_Recombination'] + spc = Molecule().fromSMILES("[CH2]CC[CH2]") + out = family._KineticsFamily__generateReactions(reactants=[spc],forward=True) + self.assertTrue(out==[]) class TestTreeGeneration(unittest.TestCase):