diff --git a/src/lomap/tests/test_lomapatommapper.py b/src/lomap/tests/test_lomapatommapper.py index 7e5b985..e1a2aa8 100644 --- a/src/lomap/tests/test_lomapatommapper.py +++ b/src/lomap/tests/test_lomapatommapper.py @@ -4,9 +4,12 @@ try: import gufe + from gufe.tests.test_tokenization import GufeTokenizableTestsMixin HAS_GUFE = True except ImportError: + # Fake assign to object to avoid issues + GufeTokenizableTestsMixin = object HAS_GUFE = False @@ -18,43 +21,46 @@ def test_lomap_atommaper_no_gufe_error(): @pytest.mark.skipif(not HAS_GUFE, reason="requires gufe installed") -def test_to_dict_roundtrip(): - ref_vals = { - "time": 19, - "threed": False, - "max3d": 999.0, - "element_change": False, - "seed": "CC", - "shift": False, - } - - m = LomapAtomMapper(**ref_vals) - - d = m.to_dict() - - m2 = LomapAtomMapper.from_dict(d) - - assert m2 - assert m2.time == ref_vals["time"] - assert m2.threed == ref_vals["threed"] - assert m2.max3d == ref_vals["max3d"] - assert m2.element_change == ref_vals["element_change"] - assert m2.seed == ref_vals["seed"] - assert m2.shift == ref_vals["shift"] - - -@pytest.mark.skipif(not HAS_GUFE, reason="requires gufe installed") -def test_repr(): - m = LomapAtomMapper() - - assert repr(m) == ( +class TestLomapAtomMapper(GufeTokenizableTestsMixin): + cls = LomapAtomMapper + key = None + repr = ( "" ) - m = LomapAtomMapper(time=15, seed="c1ccccc1") - - assert repr(m) == ( - "" - ) + @pytest.fixture + def instance(self): + return LomapAtomMapper() + + def test_to_dict_roundtrip_different(self): + ref_vals = { + "time": 19, + "threed": False, + "max3d": 999.0, + "element_change": False, + "seed": "CC", + "shift": True, + } + + m = LomapAtomMapper(**ref_vals) + + d = m.to_dict() + + m2 = LomapAtomMapper.from_dict(d) + + assert isinstance(m2, LomapAtomMapper) + assert m2.time == ref_vals["time"] + assert m2.threed == ref_vals["threed"] + assert m2.max3d == ref_vals["max3d"] + assert m2.element_change == ref_vals["element_change"] + assert m2.seed == ref_vals["seed"] + assert m2.shift == ref_vals["shift"] + + def test_repr_different(self): + m = LomapAtomMapper(time=15, seed="c1ccccc1") + + assert repr(m) == ( + "" + )