Esempio n. 1
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    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
Esempio n. 2
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 def test_degree():
     """Test the degree."""
     molecule = Molecule([AtomSpec('C', 4)], [])
     assert molecule.degree(0) == 0