def testRadicalCH2(self):
"""
Test that the species [CH2] has two radical electrons and a spin multiplicity of 3.
"""
molecule = Molecule().fromSMILES('[CH2]')
self.assertEqual(molecule.atoms[0].radicalElectrons, 2)
self.assertEqual(molecule.multiplicity, 3)
self.assertEqual(molecule.getRadicalCount(), 2)
def testRadicalCH2(self):
"""
Test that the species [CH2] has two radical electrons and a spin multiplicity of 3.
"""
molecule = Molecule().fromSMILES('[CH2]')
self.assertEqual(molecule.atoms[0].radicalElectrons, 2)
self.assertEqual(molecule.multiplicity, 3)
self.assertEqual(molecule.getRadicalCount(), 2)
def testRadicalCH2CH2CH2(self):
"""
Test radical count on [CH2]C[CH2]
"""
molecule = Molecule().fromSMILES('[CH2]C[CH2]')
self.assertEqual(molecule.getRadicalCount(), 2)
def testRadicalCH2CH2CH2(self):
"""
Test radical count on [CH2]C[CH2]
"""
molecule = Molecule().fromSMILES('[CH2]C[CH2]')
self.assertEqual(molecule.getRadicalCount(), 2)