Exemplo n.º 1
0
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)