batch remove PymatgenTest inheritance and see what fail

tests/alchemy/test_filters.py

@@ -14,10 +14,10 @@
 from pymatgen.alchemy.transmuters import StandardTransmuter
 from pymatgen.analysis.structure_matcher import StructureMatcher
 from pymatgen.core import Lattice, Species, Structure
-from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest
+from pymatgen.util.testing import TEST_FILES_DIR
 
 
-class TestContainsSpecieFilter(PymatgenTest):
+class TestContainsSpecieFilter:
     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]])
@@ -52,7 +52,7 @@ def test_as_from_dict(self):
         assert isinstance(ContainsSpecieFilter.from_dict(dct), ContainsSpecieFilter)
 
 
-class TestSpecieProximityFilter(PymatgenTest):
+class TestSpecieProximityFilter:
     def test_filter(self):
         struct = self.get_structure("Li10GeP2S12")
         sf = SpecieProximityFilter({"Li": 1})

tests/alchemy/test_materials.py

@@ -21,7 +21,7 @@
 TEST_DIR = f"{TEST_FILES_DIR}/alchemy"
 
 
-class TestTransformedStructure(PymatgenTest):
+class TestTransformedStructure:
     def setUp(self):
         structure = PymatgenTest.get_structure("LiFePO4")
         self.structure = structure

tests/alchemy/test_transmuters.py

@@ -8,10 +8,10 @@
     RemoveSpeciesTransformation,
     SubstitutionTransformation,
 )
-from pymatgen.util.testing import TEST_FILES_DIR, VASP_IN_DIR, PymatgenTest
+from pymatgen.util.testing import TEST_FILES_DIR, VASP_IN_DIR
 
 
-class TestCifTransmuter(PymatgenTest):
+class TestCifTransmuter:
     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:
     def test_init(self):
         trafos = [SubstitutionTransformation({"Fe": "Mn"})]
         tsc = PoscarTransmuter.from_filenames([f"{VASP_IN_DIR}/POSCAR", f"{VASP_IN_DIR}/POSCAR"], trafos)

tests/analysis/chemenv/connectivity/test_connected_components.py

@@ -20,12 +20,12 @@
 from pymatgen.core.lattice import Lattice
 from pymatgen.core.sites import PeriodicSite
 from pymatgen.core.structure import Structure
-from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest
+from pymatgen.util.testing import TEST_FILES_DIR
 
 __author__ = "waroquiers"
 
 
-class TestConnectedComponent(PymatgenTest):
+class TestConnectedComponent:
     def test_init(self):
         # Generic connected component not using EnvironmentNodes
         # (as_dict won't work on such a ConnectedComponent instance)

tests/analysis/chemenv/connectivity/test_environment_nodes.py

@@ -3,7 +3,6 @@
 import json
 
 from pymatgen.analysis.chemenv.connectivity.environment_nodes import EnvironmentNode
-from pymatgen.util.testing import PymatgenTest
 
 try:
     import bson
@@ -13,7 +12,7 @@
 __author__ = "waroquiers"
 
 
-class TestEnvironmentNodes(PymatgenTest):
+class TestEnvironmentNodes:
     def test_equal(self):
         struct = self.get_structure("SiO2")
         en = EnvironmentNode(central_site=struct[0], i_central_site=0, ce_symbol="T:4")

tests/analysis/chemenv/connectivity/test_structure_connectivity.py

@@ -9,12 +9,12 @@
     LightStructureEnvironments,
     StructureEnvironments,
 )
-from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest
+from pymatgen.util.testing import TEST_FILES_DIR
 
 __author__ = "waroquiers"
 
 
-class TestStructureConnectivity(PymatgenTest):
+class TestStructureConnectivity:
     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:

tests/analysis/chemenv/coordination_environments/test_chemenv_strategies.py

@@ -10,12 +10,11 @@
     DistanceCutoffFloat,
     SimplestChemenvStrategy,
 )
-from pymatgen.util.testing import PymatgenTest
 
 __author__ = "waroquiers"
 
 
-class TestStrategyOptions(PymatgenTest):
+class TestStrategyOptions:
     def test_options(self):
         # DistanceCutoffFloat
         with pytest.raises(ValueError, match=r"Distance cutoff should be between 1 and \+infinity"):

tests/analysis/chemenv/coordination_environments/test_coordination_geometries.py

@@ -11,7 +11,6 @@
     ExplicitPermutationsAlgorithm,
     SeparationPlane,
 )
-from pymatgen.util.testing import PymatgenTest
 
 __author__ = "waroquiers"
 
@@ -23,7 +22,7 @@ def __init__(self, coords):
         self.coords = coords
 
 
-class TestCoordinationGeometries(PymatgenTest):
+class TestCoordinationGeometries:
     def test_algorithms(self):
         expl_algo = ExplicitPermutationsAlgorithm(permutations=[[0, 1, 2], [1, 2, 3]])
         expl_algo2 = ExplicitPermutationsAlgorithm.from_dict(expl_algo.as_dict())

tests/analysis/chemenv/coordination_environments/test_coordination_geometry_finder.py

@@ -19,14 +19,14 @@
     symmetry_measure,
 )
 from pymatgen.core.structure import Lattice, Structure
-from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest
+from pymatgen.util.testing import TEST_FILES_DIR
 
 __author__ = "waroquiers"
 
 json_dir = f"{TEST_FILES_DIR}/analysis/chemenv/json"
 
 
-class TestCoordinationGeometryFinder(PymatgenTest):
+class TestCoordinationGeometryFinder:
     def setUp(self):
         self.lgf = LocalGeometryFinder()
         self.lgf.setup_parameters(

tests/analysis/chemenv/coordination_environments/test_read_write.py

@@ -22,15 +22,15 @@
 )
 from pymatgen.analysis.chemenv.coordination_environments.voronoi import DetailedVoronoiContainer
 from pymatgen.core.structure import Structure
-from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest
+from pymatgen.util.testing import TEST_FILES_DIR
 
 __author__ = "waroquiers"
 
 json_dir = f"{TEST_FILES_DIR}/analysis/chemenv/json"
 struct_env_dir = f"{TEST_FILES_DIR}/analysis/chemenv/structure_environments"
 
 
-class TestReadWriteChemenv(PymatgenTest):
+class TestReadWriteChemenv:
     @classmethod
     def setUpClass(cls):
         cls.lgf = LocalGeometryFinder()

tests/analysis/chemenv/coordination_environments/test_structure_environments.py

@@ -17,14 +17,14 @@
     StructureEnvironments,
 )
 from pymatgen.core import Species, Structure
-from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest
+from pymatgen.util.testing import TEST_FILES_DIR
 
 __author__ = "waroquiers"
 
 TEST_DIR = f"{TEST_FILES_DIR}/analysis/chemenv/structure_environments"
 
 
-class TestStructureEnvironments(PymatgenTest):
+class TestStructureEnvironments:
     def test_structure_environments(self):
         with open(f"{TEST_DIR}/se_mp-7000.json") as file:
             dct = json.load(file)

tests/analysis/chemenv/coordination_environments/test_voronoi.py

@@ -5,14 +5,14 @@
 from pymatgen.analysis.chemenv.coordination_environments.voronoi import DetailedVoronoiContainer
 from pymatgen.core.lattice import Lattice
 from pymatgen.core.structure import Structure
-from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest
+from pymatgen.util.testing import TEST_FILES_DIR
 
 __author__ = "waroquiers"
 
 img_files_dir = f"{TEST_FILES_DIR}/analysis/chemenv/images"
 
 
-class TestVoronoiContainer(PymatgenTest):
+class TestVoronoiContainer:
     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)

tests/analysis/chemenv/coordination_environments/test_weights.py

@@ -16,7 +16,7 @@
     SelfCSMNbSetWeight,
 )
 from pymatgen.analysis.chemenv.coordination_environments.structure_environments import StructureEnvironments
-from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest
+from pymatgen.util.testing import TEST_FILES_DIR
 
 __author__ = "waroquiers"
 
@@ -39,7 +39,7 @@ class DummyVoronoiContainer:
     pass
 
 
-class StrategyWeights(PymatgenTest):
+class StrategyWeights:
     def test_angle_weight(self):
         fake_nb_set = FakeNbSet()
         dummy_se = DummyStructureEnvironments()

tests/analysis/chemenv/utils/test_chemenv_config.py

@@ -2,14 +2,14 @@
 
 from pymatgen.analysis.chemenv.utils.chemenv_config import ChemEnvConfig
 from pymatgen.core import SETTINGS
-from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest
+from pymatgen.util.testing import TEST_FILES_DIR
 
 __author__ = "waroquiers"
 
 config_file_dir = f"{TEST_FILES_DIR}/analysis/chemenv/config"
 
 
-class TestChemenvConfig(PymatgenTest):
+class TestChemenvConfig:
     def test_chemenv_config(self):
         config = ChemEnvConfig()
 

tests/analysis/chemenv/utils/test_coordination_geometry_utils.py

@@ -7,12 +7,11 @@
 from pytest import approx
 
 from pymatgen.analysis.chemenv.utils.coordination_geometry_utils import Plane
-from pymatgen.util.testing import PymatgenTest
 
 __author__ = "David Waroquiers"
 
 
-class TestPlanesUtils(PymatgenTest):
+class TestPlanesUtils:
     def setUp(self):
         # Test of plane 4x + 2y - 4z + 3 = 0 (used in most test cases)
         self.expected_coefficients = np.array([4, 2, -4, 3], float)

tests/analysis/chemenv/utils/test_graph_utils.py

@@ -5,7 +5,6 @@
 
 from pymatgen.analysis.chemenv.connectivity.environment_nodes import EnvironmentNode
 from pymatgen.analysis.chemenv.utils.graph_utils import MultiGraphCycle, SimpleGraphCycle, get_delta
-from pymatgen.util.testing import PymatgenTest
 
 __author__ = "waroquiers"
 
@@ -68,7 +67,7 @@ def __lt__(self, other):
         return self.isite % 2 < other.isite % 2
 
 
-class TestGraphUtils(PymatgenTest):
+class TestGraphUtils:
     def test_get_delta(self):
         n1 = FakeNode(3)
         n2 = FakeNode(7)
@@ -664,7 +663,7 @@ def test_multigraph_cycle(self):
             assert mgc.edge_indices == edges_ref, f"Edges not equal for inodes = ({str_nodes})"
 
 
-class TestEnvironmentNodesGraphUtils(PymatgenTest):
+class TestEnvironmentNodesGraphUtils:
     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")

tests/analysis/chemenv/utils/test_math_utils.py

@@ -16,12 +16,11 @@
     smootherstep,
     smoothstep,
 )
-from pymatgen.util.testing import PymatgenTest
 
 __author__ = "waroquiers"
 
 
-class TestMathUtils(PymatgenTest):
+class TestMathUtils:
     def test_list_cartesian_product(self):
         list_of_lists = [[0, 1], [2, 5, 4], [5]]
         assert _cartesian_product(lists=list_of_lists) == [

tests/analysis/diffraction/test_neutron.py

@@ -6,7 +6,6 @@
 from pymatgen.analysis.diffraction.neutron import NDCalculator
 from pymatgen.core.lattice import Lattice
 from pymatgen.core.structure import Structure
-from pymatgen.util.testing import PymatgenTest
 
 """
 These calculated values were verified with VESTA and FullProf.
@@ -20,7 +19,7 @@
 __date__ = "4/19/18"
 
 
-class TestNDCalculator(PymatgenTest):
+class TestNDCalculator:
     def test_get_pattern(self):
         struct = self.get_structure("CsCl")
         c = NDCalculator(wavelength=1.54184)  # CuKa radiation

tests/analysis/diffraction/test_tem.py

@@ -11,7 +11,6 @@
 from pymatgen.analysis.diffraction.tem import TEMCalculator
 from pymatgen.core.lattice import Lattice
 from pymatgen.core.structure import Structure
-from pymatgen.util.testing import PymatgenTest
 
 __author__ = "Frank Wan, Jason Liang"
 __copyright__ = "Copyright 2019, The Materials Project"
@@ -21,7 +20,7 @@
 __date__ = "2/20/20"
 
 
-class TestTEMCalculator(PymatgenTest):
+class TestTEMCalculator:
     def test_wavelength_rel(self):
         # Test that the relativistic wavelength formula (for 200 kV electron beam) is correct
         tem_calc = TEMCalculator()

tests/analysis/diffraction/test_xrd.py

@@ -6,7 +6,6 @@
 from pymatgen.analysis.diffraction.xrd import XRDCalculator
 from pymatgen.core.lattice import Lattice
 from pymatgen.core.structure import Structure
-from pymatgen.util.testing import PymatgenTest
 
 __author__ = "Shyue Ping Ong"
 __copyright__ = "Copyright 2012, The Materials Project"
@@ -16,7 +15,7 @@
 __date__ = "5/22/14"
 
 
-class TestXRDCalculator(PymatgenTest):
+class TestXRDCalculator:
     def test_type_wavelength(self):
         """Test TypeError is raised if wavelength is unaccepted type."""
         wavelength = [1.78, 2.78]  # just a list

tests/analysis/elasticity/test_elastic.py

@@ -27,12 +27,12 @@
 from pymatgen.core.structure import Structure
 from pymatgen.core.tensors import Tensor
 from pymatgen.core.units import FloatWithUnit
-from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest
+from pymatgen.util.testing import TEST_FILES_DIR
 
 TEST_DIR = f"{TEST_FILES_DIR}/analysis/elasticity"
 
 
-class TestElasticTensor(PymatgenTest):
+class TestElasticTensor:
     def setUp(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:
     def setUp(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:
     def setUp(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:
     """Test various functions related to diff fitting."""
 
     def setUp(self):