def testIsInCycleCyclohexane(self):
"""
Test the Molecule.isInCycle() method with ethane.
"""
molecule = Molecule().fromInChI('InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2')
for atom in molecule.atoms:
if atom.isHydrogen():
self.assertFalse(molecule.isAtomInCycle(atom))
elif atom.isCarbon():
self.assertTrue(molecule.isAtomInCycle(atom))
for atom1 in molecule.atoms:
for atom2, bond in atom1.bonds.items():
if atom1.isCarbon() and atom2.isCarbon():
self.assertTrue(molecule.isBondInCycle(bond))
else:
self.assertFalse(molecule.isBondInCycle(bond))
def testIsInCycleCyclohexane(self):
"""
Test the Molecule.isInCycle() method with ethane.
"""
molecule = Molecule().fromInChI('InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2')
for atom in molecule.atoms:
if atom.isHydrogen():
self.assertFalse(molecule.isAtomInCycle(atom))
elif atom.isCarbon():
self.assertTrue(molecule.isAtomInCycle(atom))
for atom1 in molecule.atoms:
for atom2, bond in atom1.bonds.items():
if atom1.isCarbon() and atom2.isCarbon():
self.assertTrue(molecule.isBondInCycle(bond))
else:
self.assertFalse(molecule.isBondInCycle(bond))
def testIsInCycleEthane(self):
"""
Test the Molecule.isInCycle() method with ethane.
"""
molecule = Molecule().fromSMILES('CC')
for atom in molecule.atoms:
self.assertFalse(molecule.isAtomInCycle(atom))
for atom1 in molecule.atoms:
for atom2, bond in atom1.bonds.items():
self.assertFalse(molecule.isBondInCycle(bond))
def testIsInCycleEthane(self):
"""
Test the Molecule.isInCycle() method with ethane.
"""
molecule = Molecule().fromSMILES('CC')
for atom in molecule.atoms:
self.assertFalse(molecule.isAtomInCycle(atom))
for atom1 in molecule.atoms:
for atom2, bond in atom1.bonds.items():
self.assertFalse(molecule.isBondInCycle(bond))
