def test_atom_orbitals(): a = Atom(5, ["x", "y"]) assert len(a) == 2 assert a[0].tag == "x" assert a[1].tag == "y" assert a.maxR() < 0. a = Atom(5, [1.2, 1.4]) assert len(a) == 2 assert a.maxR() == pytest.approx(1.4)