Beispiel #1
0
    def test_degree_expl():
        """Test the degree, constructed with explicit H."""
        carb = AtomSpec('C')
        hyd = AtomSpec('H')

        atoms = [carb, hyd, hyd, hyd, hyd]
        bonds = [
            BondSpec(0, 1, 1),
            BondSpec(0, 2, 1),
            BondSpec(0, 3, 1),
            BondSpec(0, 4, 1),
        ]

        molecule = Molecule(atoms, bonds)
        assert molecule.degree(0) == 4
Beispiel #2
0
 def test_degree():
     """Test the degree."""
     molecule = Molecule([AtomSpec('C', 4)], [])
     assert molecule.degree(0) == 0