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)
