global replace inheritance from PymatgenTest

materialsproject · Dec 4, 2024 · 98f7fc7 · 98f7fc7
1 parent 4429546
commit 98f7fc7
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Showing 134 changed files with 295 additions and 295 deletions.
diff --git a/tests/alchemy/test_filters.py b/tests/alchemy/test_filters.py
@@ -16,7 +16,7 @@
 from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest
 
 
-class TestContainsSpecieFilter(PymatgenTest):
+class TestContainsSpecieFilter(MatSciTest):
     def test_filtering(self):
         coords = [[0, 0, 0], [0.75, 0.75, 0.75], [0.5, 0.5, 0.5], [0.25, 0.25, 0.25]]
         lattice = Lattice([[3.0, 0.0, 0.0], [1.0, 3.0, 0], [0, -2.0, 3.0]])
@@ -51,7 +51,7 @@ def test_as_from_dict(self):
         assert isinstance(ContainsSpecieFilter.from_dict(dct), ContainsSpecieFilter)
 
 
-class TestSpecieProximityFilter(PymatgenTest):
+class TestSpecieProximityFilter(MatSciTest):
     def test_filter(self):
         struct = self.get_structure("Li10GeP2S12")
         sf = SpecieProximityFilter({"Li": 1})

diff --git a/tests/alchemy/test_materials.py b/tests/alchemy/test_materials.py
@@ -21,7 +21,7 @@
 TEST_DIR = f"{TEST_FILES_DIR}/alchemy"
 
 
-class TestTransformedStructure(PymatgenTest):
+class TestTransformedStructure(MatSciTest):
     def setup_method(self):
         structure = PymatgenTest.get_structure("LiFePO4")
         self.structure = structure

diff --git a/tests/alchemy/test_transmuters.py b/tests/alchemy/test_transmuters.py
@@ -11,7 +11,7 @@
 from pymatgen.util.testing import TEST_FILES_DIR, VASP_IN_DIR, PymatgenTest
 
 
-class TestCifTransmuter(PymatgenTest):
+class TestCifTransmuter(MatSciTest):
     def test_init(self):
         trafos = [SubstitutionTransformation({"Fe": "Mn", "Fe2+": "Mn2+"})]
         tsc = CifTransmuter.from_filenames([f"{TEST_FILES_DIR}/cif/MultiStructure.cif"], trafos)
@@ -22,7 +22,7 @@ def test_init(self):
             assert expected == els
 
 
-class TestPoscarTransmuter(PymatgenTest):
+class TestPoscarTransmuter(MatSciTest):
     def test_init(self):
         trafos = [SubstitutionTransformation({"Fe": "Mn"})]
         tsc = PoscarTransmuter.from_filenames([f"{VASP_IN_DIR}/POSCAR", f"{VASP_IN_DIR}/POSCAR"], trafos)

diff --git a/tests/analysis/chemenv/connectivity/test_connected_components.py b/tests/analysis/chemenv/connectivity/test_connected_components.py
@@ -25,7 +25,7 @@
 __author__ = "waroquiers"
 
 
-class TestConnectedComponent(PymatgenTest):
+class TestConnectedComponent(MatSciTest):
     def test_init(self):
         # Generic connected component not using EnvironmentNodes
         # (as_dict won't work on such a ConnectedComponent instance)

diff --git a/tests/analysis/chemenv/connectivity/test_environment_nodes.py b/tests/analysis/chemenv/connectivity/test_environment_nodes.py
@@ -13,7 +13,7 @@
 __author__ = "waroquiers"
 
 
-class TestEnvironmentNodes(PymatgenTest):
+class TestEnvironmentNodes(MatSciTest):
     def test_equal(self):
         struct = self.get_structure("SiO2")
         en = EnvironmentNode(central_site=struct[0], i_central_site=0, ce_symbol="T:4")

diff --git a/tests/analysis/chemenv/connectivity/test_structure_connectivity.py b/tests/analysis/chemenv/connectivity/test_structure_connectivity.py
@@ -14,7 +14,7 @@
 __author__ = "waroquiers"
 
 
-class TestStructureConnectivity(PymatgenTest):
+class TestStructureConnectivity(MatSciTest):
     def test_serialization(self):
         BaTiO3_se_fpath = f"{TEST_FILES_DIR}/analysis/chemenv/structure_environments/se_mp-5020.json"
         with open(BaTiO3_se_fpath) as file:

diff --git a/tests/analysis/chemenv/coordination_environments/test_chemenv_strategies.py b/tests/analysis/chemenv/coordination_environments/test_chemenv_strategies.py
@@ -15,7 +15,7 @@
 __author__ = "waroquiers"
 
 
-class TestStrategyOptions(PymatgenTest):
+class TestStrategyOptions(MatSciTest):
     def test_options(self):
         # DistanceCutoffFloat
         with pytest.raises(ValueError, match=r"Distance cutoff should be between 1 and \+infinity"):

diff --git a/tests/analysis/chemenv/coordination_environments/test_coordination_geometries.py b/tests/analysis/chemenv/coordination_environments/test_coordination_geometries.py
@@ -23,7 +23,7 @@ def __init__(self, coords):
         self.coords = coords
 
 
-class TestCoordinationGeometries(PymatgenTest):
+class TestCoordinationGeometries(MatSciTest):
     def test_algorithms(self):
         expl_algo = ExplicitPermutationsAlgorithm(permutations=[[0, 1, 2], [1, 2, 3]])
         expl_algo2 = ExplicitPermutationsAlgorithm.from_dict(expl_algo.as_dict())

diff --git a/tests/analysis/chemenv/coordination_environments/test_coordination_geometry_finder.py b/tests/analysis/chemenv/coordination_environments/test_coordination_geometry_finder.py
@@ -26,7 +26,7 @@
 json_dir = f"{TEST_FILES_DIR}/analysis/chemenv/json"
 
 
-class TestCoordinationGeometryFinder(PymatgenTest):
+class TestCoordinationGeometryFinder(MatSciTest):
     def setup_method(self):
         self.lgf = LocalGeometryFinder()
         self.lgf.setup_parameters(

diff --git a/tests/analysis/chemenv/coordination_environments/test_read_write.py b/tests/analysis/chemenv/coordination_environments/test_read_write.py
@@ -30,7 +30,7 @@
 struct_env_dir = f"{TEST_FILES_DIR}/analysis/chemenv/structure_environments"
 
 
-class TestReadWriteChemenv(PymatgenTest):
+class TestReadWriteChemenv(MatSciTest):
     @classmethod
     def setup_class(cls):
         cls.lgf = LocalGeometryFinder()

diff --git a/tests/analysis/chemenv/coordination_environments/test_structure_environments.py b/tests/analysis/chemenv/coordination_environments/test_structure_environments.py
@@ -24,7 +24,7 @@
 TEST_DIR = f"{TEST_FILES_DIR}/analysis/chemenv/structure_environments"
 
 
-class TestStructureEnvironments(PymatgenTest):
+class TestStructureEnvironments(MatSciTest):
     def test_structure_environments(self):
         with open(f"{TEST_DIR}/se_mp-7000.json") as file:
             dct = json.load(file)

diff --git a/tests/analysis/chemenv/coordination_environments/test_voronoi.py b/tests/analysis/chemenv/coordination_environments/test_voronoi.py
@@ -12,7 +12,7 @@
 img_files_dir = f"{TEST_FILES_DIR}/analysis/chemenv/images"
 
 
-class TestVoronoiContainer(PymatgenTest):
+class TestVoronoiContainer(MatSciTest):
     def test_voronoi(self):
         # Define a cubic lattice and a list of species (to be used for the fake structures)
         cubic_lattice = Lattice.cubic(10)

diff --git a/tests/analysis/chemenv/coordination_environments/test_weights.py b/tests/analysis/chemenv/coordination_environments/test_weights.py
@@ -39,7 +39,7 @@ class DummyVoronoiContainer:
     pass
 
 
-class StrategyWeights(PymatgenTest):
+class StrategyWeights(MatSciTest):
     def test_angle_weight(self):
         fake_nb_set = FakeNbSet()
         dummy_se = DummyStructureEnvironments()

diff --git a/tests/analysis/chemenv/utils/test_chemenv_config.py b/tests/analysis/chemenv/utils/test_chemenv_config.py
@@ -9,7 +9,7 @@
 config_file_dir = f"{TEST_FILES_DIR}/analysis/chemenv/config"
 
 
-class TestChemenvConfig(PymatgenTest):
+class TestChemenvConfig(MatSciTest):
     def test_chemenv_config(self):
         config = ChemEnvConfig()
 

diff --git a/tests/analysis/chemenv/utils/test_coordination_geometry_utils.py b/tests/analysis/chemenv/utils/test_coordination_geometry_utils.py
@@ -12,7 +12,7 @@
 __author__ = "David Waroquiers"
 
 
-class TestPlanesUtils(PymatgenTest):
+class TestPlanesUtils(MatSciTest):
     def setup_method(self):
         # Test of plane 4x + 2y - 4z + 3 = 0 (used in most test cases)
         self.expected_coefficients = np.array([4, 2, -4, 3], float)

diff --git a/tests/analysis/chemenv/utils/test_graph_utils.py b/tests/analysis/chemenv/utils/test_graph_utils.py
@@ -68,7 +68,7 @@ def __lt__(self, other):
         return self.isite % 2 < other.isite % 2
 
 
-class TestGraphUtils(PymatgenTest):
+class TestGraphUtils(MatSciTest):
     def test_get_delta(self):
         n1 = FakeNode(3)
         n2 = FakeNode(7)
@@ -664,7 +664,7 @@ def test_multigraph_cycle(self):
             assert mgc.edge_indices == edges_ref, f"Edges not equal for inodes = ({str_nodes})"
 
 
-class TestEnvironmentNodesGraphUtils(PymatgenTest):
+class TestEnvironmentNodesGraphUtils(MatSciTest):
     def test_cycle(self):
         e1 = EnvironmentNode(central_site="Si", i_central_site=0, ce_symbol="T:4")
         e2 = EnvironmentNode(central_site="Si", i_central_site=3, ce_symbol="T:4")

diff --git a/tests/analysis/chemenv/utils/test_math_utils.py b/tests/analysis/chemenv/utils/test_math_utils.py
@@ -21,7 +21,7 @@
 __author__ = "waroquiers"
 
 
-class TestMathUtils(PymatgenTest):
+class TestMathUtils(MatSciTest):
     def test_list_cartesian_product(self):
         list_of_lists = [[0, 1], [2, 5, 4], [5]]
         assert _cartesian_product(lists=list_of_lists) == [

diff --git a/tests/analysis/diffraction/test_neutron.py b/tests/analysis/diffraction/test_neutron.py
@@ -20,7 +20,7 @@
 __date__ = "4/19/18"
 
 
-class TestNDCalculator(PymatgenTest):
+class TestNDCalculator(MatSciTest):
     def test_get_pattern(self):
         struct = self.get_structure("CsCl")
         c = NDCalculator(wavelength=1.54184)  # CuKa radiation

diff --git a/tests/analysis/diffraction/test_tem.py b/tests/analysis/diffraction/test_tem.py
@@ -21,7 +21,7 @@
 __date__ = "2/20/20"
 
 
-class TestTEMCalculator(PymatgenTest):
+class TestTEMCalculator(MatSciTest):
     def test_wavelength_rel(self):
         # Test that the relativistic wavelength formula (for 200 kV electron beam) is correct
         tem_calc = TEMCalculator()

diff --git a/tests/analysis/diffraction/test_xrd.py b/tests/analysis/diffraction/test_xrd.py
@@ -16,7 +16,7 @@
 __date__ = "5/22/14"
 
 
-class TestXRDCalculator(PymatgenTest):
+class TestXRDCalculator(MatSciTest):
     def test_type_wavelength(self):
         """Test TypeError is raised if wavelength is unaccepted type."""
         wavelength = [1.78, 2.78]  # just a list

diff --git a/tests/analysis/elasticity/test_elastic.py b/tests/analysis/elasticity/test_elastic.py
@@ -32,7 +32,7 @@
 TEST_DIR = f"{TEST_FILES_DIR}/analysis/elasticity"
 
 
-class TestElasticTensor(PymatgenTest):
+class TestElasticTensor(MatSciTest):
     def setup_method(self):
         self.voigt_1 = [
             [59.33, 28.08, 28.08, 0, 0, 0],
@@ -263,7 +263,7 @@ def test_energy_density(self):
         )
 
 
-class TestElasticTensorExpansion(PymatgenTest):
+class TestElasticTensorExpansion(MatSciTest):
     def setup_method(self):
         with open(f"{TEST_DIR}/test_toec_data.json") as file:
             self.data_dict = json.load(file)
@@ -364,7 +364,7 @@ def test_get_yield_stress(self):
         self.exp_cu_4.get_yield_stress([1, 0, 0])
 
 
-class TestNthOrderElasticTensor(PymatgenTest):
+class TestNthOrderElasticTensor(MatSciTest):
     def setup_method(self):
         with open(f"{TEST_DIR}/test_toec_data.json") as file:
             self.data_dict = json.load(file)
@@ -401,7 +401,7 @@ def test_energy_density(self):
         self.c3.energy_density(self.strains[0])
 
 
-class TestDiffFit(PymatgenTest):
+class TestDiffFit(MatSciTest):
     """Test various functions related to diff fitting."""
 
     def setup_method(self):

diff --git a/tests/analysis/elasticity/test_strain.py b/tests/analysis/elasticity/test_strain.py
@@ -10,7 +10,7 @@
 from pymatgen.util.testing import PymatgenTest
 
 
-class TestDeformation(PymatgenTest):
+class TestDeformation(MatSciTest):
     def setup_method(self):
         self.norm_defo = Deformation.from_index_amount((0, 0), 0.02)
         self.ind_defo = Deformation.from_index_amount((0, 1), 0.02)
@@ -81,7 +81,7 @@ def test_apply_to_structure(self):
             assert_allclose(new_coord, defo_coord)
 
 
-class TestStrain(PymatgenTest):
+class TestStrain(MatSciTest):
     def setup_method(self):
         self.norm_str = Strain.from_deformation([[1.02, 0, 0], [0, 1, 0], [0, 0, 1]])
         self.ind_str = Strain.from_deformation([[1, 0.02, 0], [0, 1, 0], [0, 0, 1]])
@@ -142,7 +142,7 @@ def test_convert_strain_to_deformation(self):
             assert_allclose(defo.green_lagrange_strain, strain)
 
 
-class TestDeformedStructureSet(PymatgenTest):
+class TestDeformedStructureSet(MatSciTest):
     def setup_method(self):
         self.structure = self.get_structure("Sn")
         self.default_dss = DeformedStructureSet(self.structure)

diff --git a/tests/analysis/elasticity/test_stress.py b/tests/analysis/elasticity/test_stress.py
@@ -10,7 +10,7 @@
 from pymatgen.util.testing import PymatgenTest
 
 
-class TestStress(PymatgenTest):
+class TestStress(MatSciTest):
     def setup_method(self):
         self.rand_stress = Stress(np.random.default_rng().standard_normal((3, 3)))
         self.symm_stress = Stress([[0.51, 2.29, 2.42], [2.29, 5.14, 5.07], [2.42, 5.07, 5.33]])

diff --git a/tests/analysis/ferroelectricity/test_polarization.py b/tests/analysis/ferroelectricity/test_polarization.py
@@ -38,7 +38,7 @@
 )
 
 
-class TestUtils(PymatgenTest):
+class TestUtils(MatSciTest):
     def setup_method(self):
         self.potcar = Potcar.from_file(f"{TEST_DIR}/POTCAR")
         self.zval_dict = {"Ba": 10, "Ti": 10, "O": 6}
@@ -54,7 +54,7 @@ def test_get_total_ionic_dipole(self):
         assert_allclose(p_ion, self.ions[-1].ravel().tolist())
 
 
-class TestPolarization(PymatgenTest):
+class TestPolarization(MatSciTest):
     def setup_method(self):
         self.p_ions = ions
         self.p_ions_outcar = np.array(
@@ -258,7 +258,7 @@ def test_smoothness(self):
         assert_allclose(self.smoothness_all_in_polar, smoothness)
 
 
-class TestEnergyTrend(PymatgenTest):
+class TestEnergyTrend(MatSciTest):
     def setup_method(self):
         self.energies = [
             -7.97738049,

diff --git a/tests/analysis/interfaces/test_coherent_interface.py b/tests/analysis/interfaces/test_coherent_interface.py
@@ -17,7 +17,7 @@
 from pymatgen.util.testing import PymatgenTest
 
 
-class TestInterfaceBuilder(PymatgenTest):
+class TestInterfaceBuilder(MatSciTest):
     @classmethod
     def setup_class(cls):
         si_struct = cls.get_structure("Si")

diff --git a/tests/analysis/interfaces/test_zsl.py b/tests/analysis/interfaces/test_zsl.py
@@ -23,7 +23,7 @@
 __date__ = "2/5/16"
 
 
-class TestZSLGen(PymatgenTest):
+class TestZSLGen(MatSciTest):
     def setup_method(self):
         # Film VO2
         self.film = SpacegroupAnalyzer(self.get_structure("VO2"), symprec=0.1).get_conventional_standard_structure()

diff --git a/tests/analysis/solar/test_slme.py b/tests/analysis/solar/test_slme.py
@@ -8,7 +8,7 @@
 TEST_DIR = f"{TEST_FILES_DIR}/analysis/solar"
 
 
-class TestSolar(PymatgenTest):
+class TestSolar(MatSciTest):
     def test_slme_from_vasprun(self):
         en, abz, dir_gap, indir_gap = optics(f"{TEST_DIR}/vasprun.xml")
         abz *= 100.0

diff --git a/tests/analysis/structure_prediction/test_substitutor.py b/tests/analysis/structure_prediction/test_substitutor.py
@@ -20,7 +20,7 @@ def get_table():
         return json.load(file)
 
 
-class TestSubstitutor(PymatgenTest):
+class TestSubstitutor(MatSciTest):
     def setup_method(self):
         self.substitutor = Substitutor(threshold=1e-3, lambda_table=get_table(), alpha=-5.0)
 

diff --git a/tests/analysis/structure_prediction/test_volume_predictor.py b/tests/analysis/structure_prediction/test_volume_predictor.py
@@ -10,7 +10,7 @@
 TEST_DIR = f"{TEST_FILES_DIR}/analysis/structure_prediction"
 
 
-class TestRLSVolumePredictor(PymatgenTest):
+class TestRLSVolumePredictor(MatSciTest):
     def test_predict(self):
         struct = PymatgenTest.get_structure("CsCl")
         nacl = PymatgenTest.get_structure("CsCl")
@@ -77,7 +77,7 @@ def test_modes(self):
         assert vol_pred.predict(cs_cl, na_cl) == approx(342.84905395082535)
 
 
-class TestDLSVolumePredictor(PymatgenTest):
+class TestDLSVolumePredictor(MatSciTest):
     def test_predict(self):
         vol_pred = DLSVolumePredictor()
         p_fast = DLSVolumePredictor(cutoff=0.0)  # for speed on compressed cells

diff --git a/tests/analysis/test_adsorption.py b/tests/analysis/test_adsorption.py
@@ -11,7 +11,7 @@
 from pymatgen.util.testing import PymatgenTest
 
 
-class TestAdsorbateSiteFinder(PymatgenTest):
+class TestAdsorbateSiteFinder(MatSciTest):
     def setup_method(self):
         self.structure = Structure.from_spacegroup("Fm-3m", Lattice.cubic(3.5), ["Ni"], [[0, 0, 0]])
         lattice = Lattice.cubic(3.010)

diff --git a/tests/analysis/test_bond_valence.py b/tests/analysis/test_bond_valence.py
@@ -10,7 +10,7 @@
 TEST_DIR = f"{TEST_FILES_DIR}/analysis/bond_valence"
 
 
-class TestBVAnalyzer(PymatgenTest):
+class TestBVAnalyzer(MatSciTest):
     def setup_method(self):
         self.analyzer = BVAnalyzer()
 
@@ -44,7 +44,7 @@ def test_get_oxi_state_structure(self):
         assert Species("Mn4+") in oxi_struct.composition.elements
 
 
-class TestBondValenceSum(PymatgenTest):
+class TestBondValenceSum(MatSciTest):
     def test_calculate_bv_sum(self):
         struct = Structure.from_file(f"{TEST_DIR}/LiMn2O4.json")
         neighbors = struct.get_neighbors(struct[0], 3.0)

diff --git a/tests/analysis/test_chempot_diagram.py b/tests/analysis/test_chempot_diagram.py
@@ -17,7 +17,7 @@
 TEST_DIR = f"{TEST_FILES_DIR}/analysis"
 
 
-class TestChemicalPotentialDiagram(PymatgenTest):
+class TestChemicalPotentialDiagram(MatSciTest):
     def setup_method(self):
         self.entries = EntrySet.from_csv(f"{TEST_DIR}/pd_entries_test.csv")
         self.cpd_ternary, self.cpd_ternary_formal = (