def test_bond(): b = Bond(0, 1) assert b.get_bond_order() == 1 b1 = Bond(1, 0) assert b == b1 assert b.get_nbr_atom_idx(1) == 0
def test_type_checking(): b = Bond(2, 0) with pytest.raises(TypeError): value_long = float( 2) # do not test long because it obsolete in python3 b.get_nbr_atom_idx(value_long)