def test_molecule_distance(): mol = molpy.Molecule(["He", "He"], [[0, 0, 0], [0, 0, 1]]) assert pytest.approx(1.0) == mol.distance(0, 1)
def test_molecule_distance(): mol = molpy.Molecule(["H", "H"], [[0, 0, 0], [0, 0, 1]])