def test_unit_z(self): coords = zero2() coords.atom_positions[1].z = 1.0 / smu_utils_lib.BOHR_TO_ANGSTROMS self.assertAlmostEqual(utilities.distance_between_atoms(coords, 0, 1), 1.0)
def test_zero_distance(self): coords = zero2() self.assertEqual(utilities.distance_between_atoms(coords, 0, 1), 0.0)