Esempio n. 1
0
    def test_species_symmetry_number_is_not_molecule_symmetry_number(self):
        """
        Tests that the species symmetry number can be different from the molecule symmetry number

        This molecule's resonance isomer hybrid should return more symmetry
        than the base molecule object.
        """
        molecule = Molecule().from_smiles('C[CH]C=CC')
        species = Species(molecule=[molecule])
        self.assertEqual(molecule.get_symmetry_number() * 2,
                         species.get_symmetry_number())