def testCyclicSymmetryNumberDiMethylCycloButane(self): """ Test the Molecule.calculateCyclicSymmetryNumber() on CC1CC(C)C1 """ molecule = Molecule().fromSMILES('CC1CC(C)C1') symmetryNumber = calculateCyclicSymmetryNumber(molecule) self.assertEqual(symmetryNumber, 4)
def testCyclicSymmetryNumberS1(self): """ Test the Molecule.calculateCyclicSymmetryNumber() on [CH]1CCC1CC1CC1 """ molecule = Molecule().fromSMILES('[CH]1CCC1CC1CC1') symmetryNumber = calculateCyclicSymmetryNumber(molecule) self.assertEqual(symmetryNumber, 1)
def testCyclicSymmetryNumberMethylCycloPropene(self): """ Test the Molecule.calculateCyclicSymmetryNumber() on C=C1CC1 """ molecule = Molecule().fromSMILES('C=C1CC1') symmetryNumber = calculateCyclicSymmetryNumber(molecule) self.assertEqual(symmetryNumber, 2)
def testCyclicSymmetryNumberCyclohexane(self): """ Test the Molecule.calculateCyclicSymmetryNumber() on C1CCCCC1 """ molecule = Molecule().fromSMILES('C1CCCCC1') symmetryNumber = calculateCyclicSymmetryNumber(molecule) self.assertEqual(symmetryNumber, 12)
def testCyclicSymmetryNumberCyclohexan_tri_one(self): """ Test the Molecule.calculateCyclicSymmetryNumber() on C1CCC(=O)C(=O)C1=O """ molecule = Molecule().fromSMILES('C1CCC(=O)C(=O)C1=O') symmetryNumber = calculateCyclicSymmetryNumber(molecule) self.assertEqual(symmetryNumber, 2)
def testCyclicSymmetryNumberCyclohexan_tri_one(self): """ Test the Molecule.calculateCyclicSymmetryNumber() on C1CCC(=O)C(=O)C1=O """ molecule = Molecule().fromSMILES('C1CCC(=O)C(=O)C1=O') symmetryNumber = calculateCyclicSymmetryNumber(molecule) self.assertEqual(symmetryNumber, 2)
def testCyclicSymmetryNumberCyclohexane(self): """ Test the Molecule.calculateCyclicSymmetryNumber() on C1CCCCC1 """ molecule = Molecule().fromSMILES('C1CCCCC1') symmetryNumber = calculateCyclicSymmetryNumber(molecule) self.assertEqual(symmetryNumber, 12)
def testCyclicSymmetryNumberDiMethylCycloButane(self): """ Test the Molecule.calculateCyclicSymmetryNumber() on CC1CC(C)C1 """ molecule = Molecule().fromSMILES('CC1CC(C)C1') symmetryNumber = calculateCyclicSymmetryNumber(molecule) self.assertEqual(symmetryNumber, 4)
def testCyclicSymmetryNumberMethylCycloPropene(self): """ Test the Molecule.calculateCyclicSymmetryNumber() on C=C1CC1 """ molecule = Molecule().fromSMILES('C=C1CC1') symmetryNumber = calculateCyclicSymmetryNumber(molecule) self.assertEqual(symmetryNumber, 2)
def testCyclicSymmetryNumberS1(self): """ Test the Molecule.calculateCyclicSymmetryNumber() on [CH]1CCC1CC1CC1 """ molecule = Molecule().fromSMILES('[CH]1CCC1CC1CC1') symmetryNumber = calculateCyclicSymmetryNumber(molecule) self.assertEqual(symmetryNumber, 1)