def test_user_can_set_an_array():
reference = Molecule(atoms)
reference.set_array("numbers", [1, 2, 3])
numbers = reference.get_array("numbers")
assert numbers[0] == 1
assert numbers[1] == 2
assert numbers[2] == 3
reference.set_array("numbers", None)
reference.set_array("numbers", None)
with pytest.raises(Exception) as error:
reference.get_array("numbers")
assert error.value.args[0] == "numbers"
reference.set_array("numbers", [1, 2, 3], None)
numbers = reference.get_array("numbers")
assert numbers[0] == 1
def test_user_cannot_set_array_with_different_sizes():
reference = Molecule(atoms)
with pytest.raises(Exception) as error:
reference.set_array("symbols", [1, 2, 3, 4])
assert "4 != 3" in error.value.args[0]
