def test_atom_copy():
atom = Atom("A", energy=1.0)
copy = atom.copy()
assert copy.name == atom.name
assert copy.energy == atom.energy
atom.energy = 2.0
assert copy.energy != atom.energy
def test_atoms_equal():
atom1 = Atom("A", energy=1.0)
atom2 = Atom("B")
atom3 = Atom("B", energy=1.0)
assert atom1 != atom2
assert atom2 == atom3
assert atom1 == "A"
assert atom1 != "B"
assert atom2 == "B"
assert atom3 == "B"
def test_atom_params():
atom = Atom("A", color="r", energy=1)
assert atom.color == "r"
assert atom["color"] == "r"
assert atom.energy == 1
assert atom["energy"] == 1
atom["spin"] = 1
assert atom.spin == 1
assert atom["spin"] == 1
atom.spin = 1
assert atom.spin == 1
assert atom["spin"] == 1
assert atom.get("spin") == 1
del atom["spin"]
assert atom.get("spin", None) is None
def test_atom_iter():
atom = Atom("A", energy=1.0)
assert list(atom) == ["color", "radius", "energy"]
def test_atom_param_length():
atom = Atom("A", energy=1.0)
assert len(atom) == 3
def test_atom_to_dict():
atom = Atom("A", energy=1.0)
expected = {"name": "A", "color": None, "radius": 0.2, "energy": 1.0}
actual = atom.dict()
actual.pop("index")
assert actual == expected
def test_atom_uniqueness():
atom1 = Atom("A")
atom2 = Atom("A")
assert atom1 == atom2
assert atom1.__hash__() == atom2.__hash__()
atom1 = Atom("A")
atom2 = Atom("B")
assert atom1 != atom2
assert atom1.__hash__() != atom2.__hash__()