def test_has_edge(): """Test that the right edges exist.""" carb = AtomSpec('C') hyd = AtomSpec('H') atoms = [carb, hyd, hyd, carb, hyd] bonds = [ BondSpec(0, 1, 1), BondSpec(0, 2, 1), BondSpec(0, 3, 2), BondSpec(3, 4, 1), ] molecule = Molecule(atoms, bonds) assert molecule.has_edge(0, 3)
def test_has_edge(): """Test that ``has_edge`` returns the correct result.""" molecule = Molecule([], []) with pytest.raises(ValueError): molecule.has_edge(0, 1)