rm ase adapter tests

Author: cadenmyers13

tests/test_structure.py

@@ -892,97 +892,6 @@ def test_get_lattice_vector_angles(datafile):
     assert np.allclose(actual_lattice_vector_angles, expected_lattice_vector_angles)
 
 
-@pytest.mark.parametrize(
-    "input",
-    [
-        # case: user calls the conversion function on a Structure object that already contains
-        # a structure
-        # expected: the structure is wiped clean and replaced with the converted structure
-        # we use the fixture to create a Structure object that already contains a structure.
-        "use_diffpy_structure_fixture",
-        # case: user calls the conversion function on an empty Structure object
-        # expected: the converted structure is added to the empty Structure object without issue
-        Structure(),
-    ],
-)
-def test_convert_ase_to_diffpy_structure(input, build_ase_atom_object, build_diffpy_structure_object):
-    """Check convert_ase_to_diffpy_structure()"""
-    # input: User wants to convert an ASE.Atoms object to a diffpy.structure.Structure object
-    # expected: All similar data is transferred correctly,
-    #           including chemical symbols, fractional coordinates, and lattice parameters.
-
-    # Create an ASE.Atoms object
-    ase_zb = build_ase_atom_object
-    # Create an identical expected diffpy Structure object
-    expected_structure = build_diffpy_structure_object
-
-    # Create new Structure object and convert ase to diffpy structure.
-    # Use the string input to determine which type of Structure object to create for the test
-    if isinstance(input, str):
-        actual_structure = build_diffpy_structure_object
-    else:
-        actual_structure = input
-    # set the lost_info variable, which gets the attribute of method from ASE.Atoms object, gets the values
-    # and stores it in a dict. This is used because ASE.Atoms stores more/different
-    # info that a diffpy.structure object
-    lost_info_dict = actual_structure.convert_ase_to_diffpy_structure(ase_zb, lost_info="get_masses")
-    actual_masses = lost_info_dict["get_masses"]
-    expected_masses = ase_zb.get_masses()
-    assert np.allclose(actual_masses, expected_masses)
-
-    # Compare the actual and expected values
-    expected_lattice_vectors = expected_structure.get_lattice_vectors()
-    actual_lattice_vectors = actual_structure.get_lattice_vectors()
-    assert np.allclose(expected_lattice_vectors, actual_lattice_vectors)
-
-    expected_lattice_angle = expected_structure.get_lattice_vector_angles()
-    actual_lattice_angle = actual_structure.get_lattice_vector_angles()
-    assert np.allclose(expected_lattice_angle, actual_lattice_angle)
-
-    expected_symbols = expected_structure.get_chemical_symbols()
-    actual_symbols = actual_structure.get_chemical_symbols()
-    assert actual_symbols == expected_symbols
-
-    expected_coords = expected_structure.get_fractional_coordinates()
-    actual_coords = actual_structure.get_fractional_coordinates()
-    assert np.allclose(actual_coords, expected_coords)
-
-
-def test_convert_ase_to_diffpy_structure_bad_typeerror():
-    """Check convert_ase_to_diffpy_structure() with bad input."""
-    bad_input = "string"  # pass a string instead of ase.Atoms
-    expected_error_msg = "Input must be an instance of ase.Atoms but got type <class 'str'>."
-    actual_structure = Structure()
-    with pytest.raises(TypeError, match=expected_error_msg):
-        actual_structure.convert_ase_to_diffpy_structure(bad_input)
-
-
-@pytest.mark.parametrize(
-    "bad_lost_info,error,expected_error_msg",
-    [  # case: User provides an ASE.Atoms object but requests lost_info that is not an attribute of ASE.Atoms
-        # expected: A ValueError is raised with a clear error message indicating the requested lost_info
-        #           attribute is invalid.
-        (["invalid_method"], ValueError, "ASE.Atoms object has no attribute 'invalid_method'"),
-        # case: User provides an ASE.Atoms object but requests lost_info that is an attribute of ASE.Atoms
-        # but has not been set yet.
-        # expected: The error message from ase is raised indicating the specific issue with the
-        #           requested lost_info attribute.
-        # We set the expected error message to None because this expectation is
-        # out of our control, but it is good to make sure that we are
-        # raising the error from ASE.
-        (["get_magnetic_moments"], RuntimeError, None),
-    ],
-)
-def test_convert_ase_to_diffpy_structure_bad_valueerror(
-    bad_lost_info, error, expected_error_msg, build_ase_atom_object
-):
-    """Check convert_ase_to_diffpy_structure() with bad lost_info."""
-    ase_zb = build_ase_atom_object
-    actual_structure = Structure()
-    with pytest.raises(error, match=expected_error_msg):
-        actual_structure.convert_ase_to_diffpy_structure(ase_zb, lost_info=bad_lost_info)
-
-
 # ----------------------------------------------------------------------------
 @pytest.mark.parametrize(
     "existing, atype, xyz, expected_len, expected_element, expected_xyz",