From 42f9fb601582023bff0dd3255e48cffce1ebb2e0 Mon Sep 17 00:00:00 2001 From: "Haoyu (Daniel)" Date: Wed, 4 Dec 2024 23:34:03 +0800 Subject: [PATCH] global replace PymatgenTest with MatSciTest --- tests/alchemy/test_filters.py | 2 +- .../chemenv/connectivity/test_connected_components.py | 2 +- .../chemenv/connectivity/test_structure_connectivity.py | 2 +- .../test_coordination_geometry_finder.py | 2 +- .../chemenv/coordination_environments/test_read_write.py | 2 +- .../test_structure_environments.py | 2 +- .../chemenv/coordination_environments/test_voronoi.py | 2 +- .../chemenv/coordination_environments/test_weights.py | 2 +- tests/analysis/chemenv/utils/test_chemenv_config.py | 2 +- tests/analysis/elasticity/test_elastic.py | 2 +- tests/analysis/ferroelectricity/test_polarization.py | 2 +- tests/analysis/solar/test_slme.py | 2 +- tests/analysis/test_bond_valence.py | 2 +- tests/analysis/test_chempot_diagram.py | 2 +- tests/analysis/test_dimensionality.py | 2 +- tests/analysis/test_fragmenter.py | 2 +- tests/analysis/test_graphs.py | 2 +- tests/analysis/test_local_env.py | 2 +- tests/analysis/test_phase_diagram.py | 2 +- tests/analysis/test_piezo_sensitivity.py | 2 +- tests/analysis/test_pourbaix_diagram.py | 2 +- tests/analysis/test_structure_analyzer.py | 2 +- tests/analysis/test_structure_matcher.py | 2 +- tests/analysis/test_surface_analysis.py | 2 +- tests/analysis/test_transition_state.py | 2 +- tests/analysis/test_wulff.py | 2 +- tests/analysis/test_xps.py | 2 +- tests/analysis/topological/test_spillage.py | 2 +- tests/analysis/xas/test_spectrum.py | 2 +- tests/apps/battery/test_analyzer.py | 2 +- tests/command_line/test_bader_caller.py | 2 +- tests/command_line/test_enumlib_caller.py | 2 +- tests/command_line/test_mcsqs_caller.py | 2 +- tests/command_line/test_vampire_caller.py | 2 +- tests/core/test_interface.py | 2 +- tests/core/test_surface.py | 2 +- tests/core/test_tensors.py | 2 +- tests/core/test_trajectory.py | 2 +- tests/electronic_structure/test_bandstructure.py | 2 +- tests/electronic_structure/test_cohp.py | 2 +- tests/electronic_structure/test_dos.py | 2 +- tests/electronic_structure/test_plotter.py | 2 +- tests/entries/test_entry_tools.py | 2 +- tests/ext/test_matproj.py | 2 +- tests/io/abinit/test_abiobjects.py | 2 +- tests/io/abinit/test_inputs.py | 2 +- tests/io/abinit/test_netcdf.py | 2 +- tests/io/abinit/test_pseudos.py | 2 +- tests/io/cp2k/test_inputs.py | 2 +- tests/io/cp2k/test_sets.py | 2 +- tests/io/exciting/test_inputs.py | 2 +- tests/io/feff/test_sets.py | 2 +- tests/io/lammps/test_data.py | 2 +- tests/io/lammps/test_generators.py | 2 +- tests/io/lammps/test_inputs.py | 2 +- tests/io/lobster/test_inputs.py | 2 +- tests/io/lobster/test_outputs.py | 2 +- tests/io/pwmat/test_inputs.py | 2 +- tests/io/pwmat/test_outputs.py | 2 +- tests/io/qchem/test_inputs.py | 2 +- tests/io/qchem/test_outputs.py | 2 +- tests/io/qchem/test_sets.py | 2 +- tests/io/qchem/test_utils.py | 2 +- tests/io/test_adf.py | 2 +- tests/io/test_atat.py | 2 +- tests/io/test_cif.py | 2 +- tests/io/test_core.py | 2 +- tests/io/test_lmto.py | 2 +- tests/io/test_packmol.py | 6 +++--- tests/io/test_pwscf.py | 2 +- tests/io/test_shengbte.py | 2 +- tests/io/test_template_input.py | 2 +- tests/io/test_wannier90.py | 2 +- tests/io/vasp/test_inputs.py | 2 +- tests/io/vasp/test_optics.py | 2 +- tests/io/vasp/test_outputs.py | 2 +- tests/io/xtb/test_inputs.py | 2 +- tests/io/xtb/test_outputs.py | 2 +- tests/phonon/test_bandstructure.py | 2 +- tests/phonon/test_dos.py | 2 +- tests/phonon/test_gruneisen.py | 2 +- tests/phonon/test_ir_spectra.py | 2 +- tests/phonon/test_thermal_displacements.py | 2 +- tests/symmetry/test_kpath_lm.py | 2 +- tests/symmetry/test_kpath_sc.py | 2 +- tests/symmetry/test_kpaths.py | 2 +- tests/symmetry/test_site_symmetries.py | 2 +- tests/util/test_io.py | 2 +- tests/vis/test_plotters.py | 2 +- 89 files changed, 91 insertions(+), 91 deletions(-) diff --git a/tests/alchemy/test_filters.py b/tests/alchemy/test_filters.py index f068db3cf91..ddccba64607 100644 --- a/tests/alchemy/test_filters.py +++ b/tests/alchemy/test_filters.py @@ -13,7 +13,7 @@ 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, MatSciTest class TestContainsSpecieFilter(MatSciTest): diff --git a/tests/analysis/chemenv/connectivity/test_connected_components.py b/tests/analysis/chemenv/connectivity/test_connected_components.py index 915f0bf1bae..7a2b6e3917d 100644 --- a/tests/analysis/chemenv/connectivity/test_connected_components.py +++ b/tests/analysis/chemenv/connectivity/test_connected_components.py @@ -20,7 +20,7 @@ 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, MatSciTest __author__ = "waroquiers" diff --git a/tests/analysis/chemenv/connectivity/test_structure_connectivity.py b/tests/analysis/chemenv/connectivity/test_structure_connectivity.py index 604f3018744..9a0be08b8a9 100644 --- a/tests/analysis/chemenv/connectivity/test_structure_connectivity.py +++ b/tests/analysis/chemenv/connectivity/test_structure_connectivity.py @@ -9,7 +9,7 @@ LightStructureEnvironments, StructureEnvironments, ) -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest __author__ = "waroquiers" diff --git a/tests/analysis/chemenv/coordination_environments/test_coordination_geometry_finder.py b/tests/analysis/chemenv/coordination_environments/test_coordination_geometry_finder.py index d518fd0d466..d586b6cd946 100644 --- a/tests/analysis/chemenv/coordination_environments/test_coordination_geometry_finder.py +++ b/tests/analysis/chemenv/coordination_environments/test_coordination_geometry_finder.py @@ -19,7 +19,7 @@ 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, MatSciTest __author__ = "waroquiers" diff --git a/tests/analysis/chemenv/coordination_environments/test_read_write.py b/tests/analysis/chemenv/coordination_environments/test_read_write.py index f1be06c44ca..8e07b0b6bda 100644 --- a/tests/analysis/chemenv/coordination_environments/test_read_write.py +++ b/tests/analysis/chemenv/coordination_environments/test_read_write.py @@ -22,7 +22,7 @@ ) 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, MatSciTest __author__ = "waroquiers" diff --git a/tests/analysis/chemenv/coordination_environments/test_structure_environments.py b/tests/analysis/chemenv/coordination_environments/test_structure_environments.py index 16fa2a4d16e..4e7e1973eba 100644 --- a/tests/analysis/chemenv/coordination_environments/test_structure_environments.py +++ b/tests/analysis/chemenv/coordination_environments/test_structure_environments.py @@ -17,7 +17,7 @@ StructureEnvironments, ) from pymatgen.core import Species, Structure -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest __author__ = "waroquiers" diff --git a/tests/analysis/chemenv/coordination_environments/test_voronoi.py b/tests/analysis/chemenv/coordination_environments/test_voronoi.py index 60dafdf3af9..ad65dacf081 100644 --- a/tests/analysis/chemenv/coordination_environments/test_voronoi.py +++ b/tests/analysis/chemenv/coordination_environments/test_voronoi.py @@ -5,7 +5,7 @@ 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, MatSciTest __author__ = "waroquiers" diff --git a/tests/analysis/chemenv/coordination_environments/test_weights.py b/tests/analysis/chemenv/coordination_environments/test_weights.py index 586af7a31bf..dda21e57417 100644 --- a/tests/analysis/chemenv/coordination_environments/test_weights.py +++ b/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, MatSciTest __author__ = "waroquiers" diff --git a/tests/analysis/chemenv/utils/test_chemenv_config.py b/tests/analysis/chemenv/utils/test_chemenv_config.py index 1c3efa2c8c4..3fa00994682 100644 --- a/tests/analysis/chemenv/utils/test_chemenv_config.py +++ b/tests/analysis/chemenv/utils/test_chemenv_config.py @@ -2,7 +2,7 @@ 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, MatSciTest __author__ = "waroquiers" diff --git a/tests/analysis/elasticity/test_elastic.py b/tests/analysis/elasticity/test_elastic.py index 788ce69d13e..6f66a73ecdb 100644 --- a/tests/analysis/elasticity/test_elastic.py +++ b/tests/analysis/elasticity/test_elastic.py @@ -27,7 +27,7 @@ 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, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/analysis/elasticity" diff --git a/tests/analysis/ferroelectricity/test_polarization.py b/tests/analysis/ferroelectricity/test_polarization.py index f1cc15358ae..7a68b1a805e 100644 --- a/tests/analysis/ferroelectricity/test_polarization.py +++ b/tests/analysis/ferroelectricity/test_polarization.py @@ -13,7 +13,7 @@ from pymatgen.core.structure import Structure from pymatgen.io.vasp.inputs import Potcar from pymatgen.io.vasp.outputs import Outcar -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/io/vasp/fixtures/BTO_221_99_polarization" bto_folders = ["nonpolar_polarization"] diff --git a/tests/analysis/solar/test_slme.py b/tests/analysis/solar/test_slme.py index e83ede5b062..3bcfd828495 100644 --- a/tests/analysis/solar/test_slme.py +++ b/tests/analysis/solar/test_slme.py @@ -3,7 +3,7 @@ from pytest import approx from pymatgen.analysis.solar.slme import optics, slme -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/analysis/solar" diff --git a/tests/analysis/test_bond_valence.py b/tests/analysis/test_bond_valence.py index fb50139d78b..dbc68adf22d 100644 --- a/tests/analysis/test_bond_valence.py +++ b/tests/analysis/test_bond_valence.py @@ -5,7 +5,7 @@ from pymatgen.analysis.bond_valence import BVAnalyzer, calculate_bv_sum, calculate_bv_sum_unordered from pymatgen.core import Composition, Species, Structure -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/analysis/bond_valence" diff --git a/tests/analysis/test_chempot_diagram.py b/tests/analysis/test_chempot_diagram.py index 1c6377db8f9..24efd0e5317 100644 --- a/tests/analysis/test_chempot_diagram.py +++ b/tests/analysis/test_chempot_diagram.py @@ -12,7 +12,7 @@ ) from pymatgen.core.composition import Element from pymatgen.entries.entry_tools import EntrySet -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/analysis" diff --git a/tests/analysis/test_dimensionality.py b/tests/analysis/test_dimensionality.py index 7f700969292..ced0094926b 100644 --- a/tests/analysis/test_dimensionality.py +++ b/tests/analysis/test_dimensionality.py @@ -15,7 +15,7 @@ from pymatgen.analysis.graphs import StructureGraph from pymatgen.analysis.local_env import CrystalNN from pymatgen.core.structure import Structure -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest class TestLarsenDimensionality(MatSciTest): diff --git a/tests/analysis/test_fragmenter.py b/tests/analysis/test_fragmenter.py index 477742b1132..05af88a8edf 100644 --- a/tests/analysis/test_fragmenter.py +++ b/tests/analysis/test_fragmenter.py @@ -8,7 +8,7 @@ from pymatgen.analysis.graphs import MoleculeGraph from pymatgen.analysis.local_env import OpenBabelNN from pymatgen.core.structure import Molecule -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest __author__ = "Samuel Blau" __email__ = "samblau1@gmail.com" diff --git a/tests/analysis/test_graphs.py b/tests/analysis/test_graphs.py index 72b125aa12d..d631d0f1823 100644 --- a/tests/analysis/test_graphs.py +++ b/tests/analysis/test_graphs.py @@ -23,7 +23,7 @@ from pymatgen.command_line.critic2_caller import Critic2Analysis from pymatgen.core import Lattice, Molecule, Site, Structure from pymatgen.core.structure import FunctionalGroups -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest try: from openbabel import openbabel diff --git a/tests/analysis/test_local_env.py b/tests/analysis/test_local_env.py index 8bf1e95e614..f9478dfa605 100644 --- a/tests/analysis/test_local_env.py +++ b/tests/analysis/test_local_env.py @@ -40,7 +40,7 @@ solid_angle, ) from pymatgen.core import Element, Lattice, Molecule, Structure -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/analysis/local_env/fragmenter_files" diff --git a/tests/analysis/test_phase_diagram.py b/tests/analysis/test_phase_diagram.py index 61ee1930028..825c077a64b 100644 --- a/tests/analysis/test_phase_diagram.py +++ b/tests/analysis/test_phase_diagram.py @@ -31,7 +31,7 @@ from pymatgen.core import Composition, DummySpecies, Element from pymatgen.entries.computed_entries import ComputedEntry from pymatgen.entries.entry_tools import EntrySet -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/analysis" diff --git a/tests/analysis/test_piezo_sensitivity.py b/tests/analysis/test_piezo_sensitivity.py index bf9c10ffcf5..7e2d3045487 100644 --- a/tests/analysis/test_piezo_sensitivity.py +++ b/tests/analysis/test_piezo_sensitivity.py @@ -17,7 +17,7 @@ rand_piezo, ) from pymatgen.io.phonopy import get_phonopy_structure -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest try: from phonopy import Phonopy diff --git a/tests/analysis/test_pourbaix_diagram.py b/tests/analysis/test_pourbaix_diagram.py index 38fce08fa90..743ea557a68 100644 --- a/tests/analysis/test_pourbaix_diagram.py +++ b/tests/analysis/test_pourbaix_diagram.py @@ -11,7 +11,7 @@ from pymatgen.core.composition import Composition from pymatgen.core.ion import Ion from pymatgen.entries.computed_entries import ComputedEntry -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/analysis/pourbaix_diagram" diff --git a/tests/analysis/test_structure_analyzer.py b/tests/analysis/test_structure_analyzer.py index 35463013dce..e4b153e9ebd 100644 --- a/tests/analysis/test_structure_analyzer.py +++ b/tests/analysis/test_structure_analyzer.py @@ -16,7 +16,7 @@ ) from pymatgen.core import Element, Lattice, Structure from pymatgen.io.vasp.outputs import Xdatcar -from pymatgen.util.testing import VASP_IN_DIR, VASP_OUT_DIR, PymatgenTest +from pymatgen.util.testing import VASP_IN_DIR, VASP_OUT_DIR, MatSciTest class TestVoronoiAnalyzer(MatSciTest): diff --git a/tests/analysis/test_structure_matcher.py b/tests/analysis/test_structure_matcher.py index bf6f9f00500..096568f5d62 100644 --- a/tests/analysis/test_structure_matcher.py +++ b/tests/analysis/test_structure_matcher.py @@ -17,7 +17,7 @@ ) from pymatgen.core import Element, Lattice, Structure, SymmOp from pymatgen.util.coord import find_in_coord_list_pbc -from pymatgen.util.testing import TEST_FILES_DIR, VASP_IN_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, VASP_IN_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/analysis/structure_matcher" diff --git a/tests/analysis/test_surface_analysis.py b/tests/analysis/test_surface_analysis.py index 18274d6ded3..2129038b16c 100644 --- a/tests/analysis/test_surface_analysis.py +++ b/tests/analysis/test_surface_analysis.py @@ -9,7 +9,7 @@ from pymatgen.analysis.surface_analysis import NanoscaleStability, SlabEntry, SurfaceEnergyPlotter, WorkFunctionAnalyzer from pymatgen.entries.computed_entries import ComputedStructureEntry -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest __author__ = "Richard Tran" __copyright__ = "Copyright 2012, The Materials Project" diff --git a/tests/analysis/test_transition_state.py b/tests/analysis/test_transition_state.py index 78b22aeb305..dd31117b406 100644 --- a/tests/analysis/test_transition_state.py +++ b/tests/analysis/test_transition_state.py @@ -6,7 +6,7 @@ from numpy.testing import assert_allclose from pymatgen.analysis.transition_state import NEBAnalysis, combine_neb_plots -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest """ TODO: Modify unittest doc. diff --git a/tests/analysis/test_wulff.py b/tests/analysis/test_wulff.py index 1a8eeb0284d..e022608b12e 100644 --- a/tests/analysis/test_wulff.py +++ b/tests/analysis/test_wulff.py @@ -9,7 +9,7 @@ from pymatgen.core.structure import Structure from pymatgen.symmetry.analyzer import SpacegroupAnalyzer from pymatgen.util.coord import in_coord_list -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest __author__ = "Zihan Xu, Richard Tran, Balachandran Radhakrishnan" __copyright__ = "Copyright 2013, The Materials Virtual Lab" diff --git a/tests/analysis/test_xps.py b/tests/analysis/test_xps.py index a4358f7ad98..e21381fcaee 100644 --- a/tests/analysis/test_xps.py +++ b/tests/analysis/test_xps.py @@ -2,7 +2,7 @@ from pymatgen.analysis.xps import XPS from pymatgen.io.vasp import Vasprun -from pymatgen.util.testing import VASP_OUT_DIR, PymatgenTest +from pymatgen.util.testing import VASP_OUT_DIR, MatSciTest class TestXPS(MatSciTest): diff --git a/tests/analysis/topological/test_spillage.py b/tests/analysis/topological/test_spillage.py index d605e8c2c63..ae1953d2b93 100644 --- a/tests/analysis/topological/test_spillage.py +++ b/tests/analysis/topological/test_spillage.py @@ -3,7 +3,7 @@ from pytest import approx from pymatgen.analysis.topological.spillage import SOCSpillage -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/analysis/topological" diff --git a/tests/analysis/xas/test_spectrum.py b/tests/analysis/xas/test_spectrum.py index 16a06965e39..7aa098a088c 100644 --- a/tests/analysis/xas/test_spectrum.py +++ b/tests/analysis/xas/test_spectrum.py @@ -10,7 +10,7 @@ from pymatgen.analysis.xas.spectrum import XAS, site_weighted_spectrum from pymatgen.core import Element -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/analysis/spectrum_test" diff --git a/tests/apps/battery/test_analyzer.py b/tests/apps/battery/test_analyzer.py index d2ee3c75610..41e1b6b4f2c 100644 --- a/tests/apps/battery/test_analyzer.py +++ b/tests/apps/battery/test_analyzer.py @@ -5,7 +5,7 @@ from pymatgen.apps.battery.analyzer import BatteryAnalyzer from pymatgen.core.structure import Structure -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest class TestBatteryAnalyzer(MatSciTest): diff --git a/tests/command_line/test_bader_caller.py b/tests/command_line/test_bader_caller.py index 019b71af9cd..86f3bd5d3a4 100644 --- a/tests/command_line/test_bader_caller.py +++ b/tests/command_line/test_bader_caller.py @@ -10,7 +10,7 @@ from pytest import approx from pymatgen.command_line.bader_caller import BaderAnalysis, bader_analysis_from_path -from pymatgen.util.testing import TEST_FILES_DIR, VASP_IN_DIR, VASP_OUT_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, VASP_IN_DIR, VASP_OUT_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/command_line/bader" diff --git a/tests/command_line/test_enumlib_caller.py b/tests/command_line/test_enumlib_caller.py index 9717e176e48..2e538207603 100644 --- a/tests/command_line/test_enumlib_caller.py +++ b/tests/command_line/test_enumlib_caller.py @@ -11,7 +11,7 @@ from pymatgen.symmetry.analyzer import SpacegroupAnalyzer from pymatgen.transformations.site_transformations import RemoveSitesTransformation from pymatgen.transformations.standard_transformations import SubstitutionTransformation -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest ENUM_CMD = which("enum.x") or which("multienum.x") MAKESTR_CMD = which("makestr.x") or which("makeStr.x") or which("makeStr.py") diff --git a/tests/command_line/test_mcsqs_caller.py b/tests/command_line/test_mcsqs_caller.py index f32aba85833..d7b56ce64ab 100644 --- a/tests/command_line/test_mcsqs_caller.py +++ b/tests/command_line/test_mcsqs_caller.py @@ -7,7 +7,7 @@ from pymatgen.command_line.mcsqs_caller import run_mcsqs from pymatgen.core.structure import Structure -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest __author__ = "Handong Ling, Rachel Woods-Robinson" __maintainer__ = "Handong Ling, Rachel Woods-Robinson" diff --git a/tests/command_line/test_vampire_caller.py b/tests/command_line/test_vampire_caller.py index 30cf129343a..b2246508682 100644 --- a/tests/command_line/test_vampire_caller.py +++ b/tests/command_line/test_vampire_caller.py @@ -8,7 +8,7 @@ from pymatgen.command_line.vampire_caller import VampireCaller from pymatgen.core.structure import Structure -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/analysis/magnetic_orderings" diff --git a/tests/core/test_interface.py b/tests/core/test_interface.py index d9b7ace45b2..41bb16ec56d 100644 --- a/tests/core/test_interface.py +++ b/tests/core/test_interface.py @@ -8,7 +8,7 @@ from pymatgen.core.structure import Structure from pymatgen.core.surface import SlabGenerator from pymatgen.symmetry.analyzer import SpacegroupAnalyzer -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/core/grain_boundary" diff --git a/tests/core/test_surface.py b/tests/core/test_surface.py index ceff64a3457..2f5f11479b5 100644 --- a/tests/core/test_surface.py +++ b/tests/core/test_surface.py @@ -24,7 +24,7 @@ ) from pymatgen.symmetry.analyzer import SpacegroupAnalyzer from pymatgen.symmetry.groups import SpaceGroup -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest PMG_CORE_DIR = os.path.dirname(pymatgen.core.__file__) diff --git a/tests/core/test_tensors.py b/tests/core/test_tensors.py index 972e8b3f207..ea015d29c32 100644 --- a/tests/core/test_tensors.py +++ b/tests/core/test_tensors.py @@ -11,7 +11,7 @@ from pymatgen.core.operations import SymmOp from pymatgen.core.tensors import SquareTensor, Tensor, TensorCollection, TensorMapping, itertools, symmetry_reduce from pymatgen.symmetry.analyzer import SpacegroupAnalyzer -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest class TestTensor(MatSciTest): diff --git a/tests/core/test_trajectory.py b/tests/core/test_trajectory.py index 1ff941ecbf9..b76ecac91ad 100644 --- a/tests/core/test_trajectory.py +++ b/tests/core/test_trajectory.py @@ -12,7 +12,7 @@ from pymatgen.core.trajectory import Trajectory from pymatgen.io.qchem.outputs import QCOutput from pymatgen.io.vasp.outputs import Xdatcar -from pymatgen.util.testing import TEST_FILES_DIR, VASP_IN_DIR, VASP_OUT_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, VASP_IN_DIR, VASP_OUT_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/core/trajectory" diff --git a/tests/electronic_structure/test_bandstructure.py b/tests/electronic_structure/test_bandstructure.py index 5547a61dc40..de61b2510ba 100644 --- a/tests/electronic_structure/test_bandstructure.py +++ b/tests/electronic_structure/test_bandstructure.py @@ -19,7 +19,7 @@ from pymatgen.electronic_structure.core import Orbital, Spin from pymatgen.electronic_structure.plotter import BSPlotterProjected from pymatgen.io.vasp import BSVasprun -from pymatgen.util.testing import TEST_FILES_DIR, VASP_IN_DIR, VASP_OUT_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, VASP_IN_DIR, VASP_OUT_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/electronic_structure/bandstructure" diff --git a/tests/electronic_structure/test_cohp.py b/tests/electronic_structure/test_cohp.py index 2f4bfdfb73b..abd24054e6e 100644 --- a/tests/electronic_structure/test_cohp.py +++ b/tests/electronic_structure/test_cohp.py @@ -14,7 +14,7 @@ get_integrated_cohp_in_energy_range, ) from pymatgen.electronic_structure.core import Orbital, Spin -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/electronic_structure/cohp" diff --git a/tests/electronic_structure/test_dos.py b/tests/electronic_structure/test_dos.py index 3474d31f2be..5a51520d37a 100644 --- a/tests/electronic_structure/test_dos.py +++ b/tests/electronic_structure/test_dos.py @@ -13,7 +13,7 @@ from pymatgen.core import Element, Structure from pymatgen.electronic_structure.core import Orbital, OrbitalType, Spin from pymatgen.electronic_structure.dos import DOS, CompleteDos, FermiDos, LobsterCompleteDos -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/electronic_structure/dos" diff --git a/tests/electronic_structure/test_plotter.py b/tests/electronic_structure/test_plotter.py index 5ddfe2405e9..d8df183019f 100644 --- a/tests/electronic_structure/test_plotter.py +++ b/tests/electronic_structure/test_plotter.py @@ -29,7 +29,7 @@ plot_ellipsoid, ) from pymatgen.io.vasp import Vasprun -from pymatgen.util.testing import TEST_FILES_DIR, VASP_IN_DIR, VASP_OUT_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, VASP_IN_DIR, VASP_OUT_DIR, MatSciTest BAND_TEST_DIR = f"{TEST_FILES_DIR}/electronic_structure/bandstructure" diff --git a/tests/entries/test_entry_tools.py b/tests/entries/test_entry_tools.py index 26e673af718..0ce519a2176 100644 --- a/tests/entries/test_entry_tools.py +++ b/tests/entries/test_entry_tools.py @@ -9,7 +9,7 @@ from pymatgen.core import Element from pymatgen.entries.computed_entries import ComputedEntry from pymatgen.entries.entry_tools import EntrySet, group_entries_by_composition, group_entries_by_structure -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/entries" diff --git a/tests/ext/test_matproj.py b/tests/ext/test_matproj.py index 65c0fd64444..d87eb4e3328 100644 --- a/tests/ext/test_matproj.py +++ b/tests/ext/test_matproj.py @@ -23,7 +23,7 @@ from pymatgen.ext.matproj_legacy import MPRestError, TaskType, _MPResterLegacy from pymatgen.phonon.bandstructure import PhononBandStructureSymmLine from pymatgen.phonon.dos import CompletePhononDos -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest PMG_MAPI_KEY = SETTINGS.get("PMG_MAPI_KEY", "") if (10 < len(PMG_MAPI_KEY) <= 20) and "PMG_MAPI_KEY" in SETTINGS: diff --git a/tests/io/abinit/test_abiobjects.py b/tests/io/abinit/test_abiobjects.py index f6afb2de78a..18da2286a01 100644 --- a/tests/io/abinit/test_abiobjects.py +++ b/tests/io/abinit/test_abiobjects.py @@ -19,7 +19,7 @@ species_by_znucl, structure_to_abivars, ) -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest class TestLatticeFromAbivars(MatSciTest): diff --git a/tests/io/abinit/test_inputs.py b/tests/io/abinit/test_inputs.py index e16ac9abb66..f39a4ce656d 100644 --- a/tests/io/abinit/test_inputs.py +++ b/tests/io/abinit/test_inputs.py @@ -18,7 +18,7 @@ ion_ioncell_relax_input, num_valence_electrons, ) -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/io/abinit" diff --git a/tests/io/abinit/test_netcdf.py b/tests/io/abinit/test_netcdf.py index c0d9cff9a53..d53e86d6bff 100644 --- a/tests/io/abinit/test_netcdf.py +++ b/tests/io/abinit/test_netcdf.py @@ -11,7 +11,7 @@ from pymatgen.core.structure import Structure from pymatgen.io.abinit import EtsfReader from pymatgen.io.abinit.netcdf import AbinitHeader -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest try: import netCDF4 diff --git a/tests/io/abinit/test_pseudos.py b/tests/io/abinit/test_pseudos.py index 752518d4d6b..5badaada393 100644 --- a/tests/io/abinit/test_pseudos.py +++ b/tests/io/abinit/test_pseudos.py @@ -9,7 +9,7 @@ from pytest import approx from pymatgen.io.abinit.pseudos import Pseudo, PseudoTable -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/io/abinit" diff --git a/tests/io/cp2k/test_inputs.py b/tests/io/cp2k/test_inputs.py index 9e4ae2ae50c..152b62d9804 100644 --- a/tests/io/cp2k/test_inputs.py +++ b/tests/io/cp2k/test_inputs.py @@ -22,7 +22,7 @@ Section, SectionList, ) -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/io/cp2k" diff --git a/tests/io/cp2k/test_sets.py b/tests/io/cp2k/test_sets.py index 3c28e85c953..8f7a0249bc3 100644 --- a/tests/io/cp2k/test_sets.py +++ b/tests/io/cp2k/test_sets.py @@ -6,7 +6,7 @@ from pymatgen.core.structure import Molecule, Structure from pymatgen.io.cp2k.sets import SETTINGS, Cp2kValidationError, DftSet, GaussianTypeOrbitalBasisSet, GthPotential -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest CP2K_TEST_DIR = f"{TEST_FILES_DIR}/io/cp2k" diff --git a/tests/io/exciting/test_inputs.py b/tests/io/exciting/test_inputs.py index 89b6fa0cfcf..55a9ed5a0ef 100644 --- a/tests/io/exciting/test_inputs.py +++ b/tests/io/exciting/test_inputs.py @@ -6,7 +6,7 @@ from pymatgen.core import Lattice, Structure from pymatgen.io.exciting import ExcitingInput -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest __author__ = "Christian Vorwerk" __copyright__ = "Copyright 2016" diff --git a/tests/io/feff/test_sets.py b/tests/io/feff/test_sets.py index 87b5e5896be..f1f07970729 100644 --- a/tests/io/feff/test_sets.py +++ b/tests/io/feff/test_sets.py @@ -9,7 +9,7 @@ from pymatgen.core.structure import Lattice, Molecule, Structure from pymatgen.io.feff.inputs import Atoms, Header, Potential, Tags from pymatgen.io.feff.sets import FEFFDictSet, MPELNESSet, MPEXAFSSet, MPXANESSet -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest FEFF_TEST_DIR = f"{TEST_FILES_DIR}/io/feff" diff --git a/tests/io/lammps/test_data.py b/tests/io/lammps/test_data.py index e57303a49eb..6dd700e6ea9 100644 --- a/tests/io/lammps/test_data.py +++ b/tests/io/lammps/test_data.py @@ -13,7 +13,7 @@ from pymatgen.core import Element, Lattice, Molecule, Structure from pymatgen.io.lammps.data import CombinedData, ForceField, LammpsBox, LammpsData, Topology, lattice_2_lmpbox -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/io/lammps" diff --git a/tests/io/lammps/test_generators.py b/tests/io/lammps/test_generators.py index ea3d91b18b4..8cb549c8d6e 100644 --- a/tests/io/lammps/test_generators.py +++ b/tests/io/lammps/test_generators.py @@ -3,7 +3,7 @@ from pymatgen.core.structure import Structure from pymatgen.io.lammps.data import LammpsData from pymatgen.io.lammps.generators import LammpsMinimization -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/io/lammps" diff --git a/tests/io/lammps/test_inputs.py b/tests/io/lammps/test_inputs.py index 09efce63c81..8806b2e3e80 100644 --- a/tests/io/lammps/test_inputs.py +++ b/tests/io/lammps/test_inputs.py @@ -11,7 +11,7 @@ from pymatgen.core.structure import Structure from pymatgen.io.lammps.data import LammpsData from pymatgen.io.lammps.inputs import LammpsInputFile, LammpsRun, LammpsTemplateGen, write_lammps_inputs -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/io/lammps" diff --git a/tests/io/lobster/test_inputs.py b/tests/io/lobster/test_inputs.py index a5140a0ed36..d2d1cfd527c 100644 --- a/tests/io/lobster/test_inputs.py +++ b/tests/io/lobster/test_inputs.py @@ -8,7 +8,7 @@ from pymatgen.io.lobster import Lobsterin from pymatgen.io.lobster.inputs import get_all_possible_basis_combinations from pymatgen.io.vasp.inputs import Incar, Kpoints, Potcar -from pymatgen.util.testing import FAKE_POTCAR_DIR, TEST_FILES_DIR, VASP_IN_DIR, VASP_OUT_DIR, PymatgenTest +from pymatgen.util.testing import FAKE_POTCAR_DIR, TEST_FILES_DIR, VASP_IN_DIR, VASP_OUT_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/electronic_structure/cohp" diff --git a/tests/io/lobster/test_outputs.py b/tests/io/lobster/test_outputs.py index 17fc2ff122e..9d8de825ad7 100644 --- a/tests/io/lobster/test_outputs.py +++ b/tests/io/lobster/test_outputs.py @@ -30,7 +30,7 @@ Wavefunction, ) from pymatgen.io.vasp import Vasprun -from pymatgen.util.testing import TEST_FILES_DIR, VASP_IN_DIR, VASP_OUT_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, VASP_IN_DIR, VASP_OUT_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/electronic_structure/cohp" diff --git a/tests/io/pwmat/test_inputs.py b/tests/io/pwmat/test_inputs.py index 075446cfb52..927f3cefdfd 100644 --- a/tests/io/pwmat/test_inputs.py +++ b/tests/io/pwmat/test_inputs.py @@ -18,7 +18,7 @@ LineLocator, ListLocator, ) -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/io/pwmat" diff --git a/tests/io/pwmat/test_outputs.py b/tests/io/pwmat/test_outputs.py index d086baea1b8..597fee5f657 100644 --- a/tests/io/pwmat/test_outputs.py +++ b/tests/io/pwmat/test_outputs.py @@ -1,7 +1,7 @@ from __future__ import annotations from pymatgen.io.pwmat.outputs import DosSpin, Movement, OutFermi, Report -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/io/pwmat" diff --git a/tests/io/qchem/test_inputs.py b/tests/io/qchem/test_inputs.py index b9bf1bca998..2a326c8ee7e 100644 --- a/tests/io/qchem/test_inputs.py +++ b/tests/io/qchem/test_inputs.py @@ -8,7 +8,7 @@ from pymatgen.core.structure import Molecule from pymatgen.io.qchem.inputs import QCInput from pymatgen.io.qchem.sets import OptSet -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/io/qchem" diff --git a/tests/io/qchem/test_outputs.py b/tests/io/qchem/test_outputs.py index 6c837d28fca..f81d374f2af 100644 --- a/tests/io/qchem/test_outputs.py +++ b/tests/io/qchem/test_outputs.py @@ -17,7 +17,7 @@ hessian_parser, orbital_coeffs_parser, ) -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest try: from openbabel import openbabel diff --git a/tests/io/qchem/test_sets.py b/tests/io/qchem/test_sets.py index beb3d9a8230..51caaadc5b0 100644 --- a/tests/io/qchem/test_sets.py +++ b/tests/io/qchem/test_sets.py @@ -14,7 +14,7 @@ SinglePointSet, TransitionStateSet, ) -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest __author__ = "Samuel Blau, Brandon Wood, Shyam Dwaraknath, Evan Spotte-Smith, Ryan Kingsbury" __copyright__ = "Copyright 2018-2022, The Materials Project" diff --git a/tests/io/qchem/test_utils.py b/tests/io/qchem/test_utils.py index d77db30c9a9..feb65c1158e 100644 --- a/tests/io/qchem/test_utils.py +++ b/tests/io/qchem/test_utils.py @@ -6,7 +6,7 @@ from monty.io import zopen from pymatgen.io.qchem.utils import lower_and_check_unique, process_parsed_hess -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest __author__ = "Ryan Kingsbury, Samuel Blau" __copyright__ = "Copyright 2018-2022, The Materials Project" diff --git a/tests/io/test_adf.py b/tests/io/test_adf.py index 477b190b61f..46b002d94fb 100644 --- a/tests/io/test_adf.py +++ b/tests/io/test_adf.py @@ -4,7 +4,7 @@ from pymatgen.core.structure import Molecule from pymatgen.io.adf import AdfInput, AdfKey, AdfOutput, AdfTask -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest __author__ = "Xin Chen, chenxin13@mails.tsinghua.edu.cn" diff --git a/tests/io/test_atat.py b/tests/io/test_atat.py index 628cb292c6b..32758929837 100644 --- a/tests/io/test_atat.py +++ b/tests/io/test_atat.py @@ -5,7 +5,7 @@ from pymatgen.core.structure import Structure from pymatgen.io.atat import Mcsqs -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/io/atat/mcsqs" diff --git a/tests/io/test_cif.py b/tests/io/test_cif.py index a437515bff6..8a6af5a3cef 100644 --- a/tests/io/test_cif.py +++ b/tests/io/test_cif.py @@ -9,7 +9,7 @@ from pymatgen.electronic_structure.core import Magmom from pymatgen.io.cif import CifBlock, CifParser, CifWriter from pymatgen.symmetry.structure import SymmetrizedStructure -from pymatgen.util.testing import TEST_FILES_DIR, VASP_IN_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, VASP_IN_DIR, MatSciTest try: import pybtex diff --git a/tests/io/test_core.py b/tests/io/test_core.py index 7a719bb7a4d..26149705ff2 100644 --- a/tests/io/test_core.py +++ b/tests/io/test_core.py @@ -10,7 +10,7 @@ from pymatgen.core.structure import Structure from pymatgen.io.cif import CifParser, CifWriter from pymatgen.io.core import InputFile, InputSet -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest if TYPE_CHECKING: from typing_extensions import Self diff --git a/tests/io/test_lmto.py b/tests/io/test_lmto.py index 8d1b924f7cf..f032c56b98b 100644 --- a/tests/io/test_lmto.py +++ b/tests/io/test_lmto.py @@ -10,7 +10,7 @@ from pymatgen.electronic_structure.core import Spin from pymatgen.io.lmto import LMTOCopl, LMTOCtrl from pymatgen.util.num import round_to_sigfigs -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest __author__ = "Marco Esters" __copyright__ = "Copyright 2017, The Materials Project" diff --git a/tests/io/test_packmol.py b/tests/io/test_packmol.py index 0b671f9f62d..03b2017353c 100644 --- a/tests/io/test_packmol.py +++ b/tests/io/test_packmol.py @@ -10,7 +10,7 @@ from pymatgen.analysis.molecule_matcher import MoleculeMatcher from pymatgen.core import Molecule from pymatgen.io.packmol import PackmolBoxGen -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/io/packmol" # error message is different in CI for unknown reasons (as of 2024-04-12) @@ -91,7 +91,7 @@ def test_packmol_with_path(self): {"name": "LiTFSi", "number": 20, "coords": p2}, ], ) - # PymatgenTest makes each test change to a temporary directory + # MatSciTest makes each test change to a temporary directory # Check here we can run in the current directory pw.write_input(".") pw.run(".") @@ -99,7 +99,7 @@ def test_packmol_with_path(self): assert os.path.isfile(f"{self.tmp_path}/packmol.stdout") out = Molecule.from_file(f"{self.tmp_path}/packmol_out.xyz") assert out.composition.num_atoms == 10 * 15 + 20 * 16 - # PymatgenTest makes each test change to a temporary directory + # MatSciTest makes each test change to a temporary directory # Check here we can run in a relative directory pw.write_input("somedir") pw.run("somedir") diff --git a/tests/io/test_pwscf.py b/tests/io/test_pwscf.py index bf4db56552c..c082e9801c0 100644 --- a/tests/io/test_pwscf.py +++ b/tests/io/test_pwscf.py @@ -6,7 +6,7 @@ from pytest import approx from pymatgen.io.pwscf import PWInput, PWInputError, PWOutput -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/io/pwscf" diff --git a/tests/io/test_shengbte.py b/tests/io/test_shengbte.py index 641b82c86bc..56c9652f1a2 100644 --- a/tests/io/test_shengbte.py +++ b/tests/io/test_shengbte.py @@ -4,7 +4,7 @@ from numpy.testing import assert_array_equal from pymatgen.io.shengbte import Control -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest f90nml = pytest.importorskip("f90nml") TEST_DIR = f"{TEST_FILES_DIR}/io/shengbte" diff --git a/tests/io/test_template_input.py b/tests/io/test_template_input.py index 8dfef0d758d..5395c002151 100644 --- a/tests/io/test_template_input.py +++ b/tests/io/test_template_input.py @@ -5,7 +5,7 @@ import pytest from pymatgen.io.template import TemplateInputGen -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/io" diff --git a/tests/io/test_wannier90.py b/tests/io/test_wannier90.py index b6e9eec3a46..df084c6ee3f 100644 --- a/tests/io/test_wannier90.py +++ b/tests/io/test_wannier90.py @@ -8,7 +8,7 @@ from pytest import approx from pymatgen.io.wannier90 import Unk -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/io/wannier90" diff --git a/tests/io/vasp/test_inputs.py b/tests/io/vasp/test_inputs.py index 87dd14e1c83..a7459098a29 100644 --- a/tests/io/vasp/test_inputs.py +++ b/tests/io/vasp/test_inputs.py @@ -37,7 +37,7 @@ VaspInput, _gen_potcar_summary_stats, ) -from pymatgen.util.testing import FAKE_POTCAR_DIR, TEST_FILES_DIR, VASP_IN_DIR, VASP_OUT_DIR, PymatgenTest +from pymatgen.util.testing import FAKE_POTCAR_DIR, TEST_FILES_DIR, VASP_IN_DIR, VASP_OUT_DIR, MatSciTest # Filter some expected warnings warnings.filterwarnings( diff --git a/tests/io/vasp/test_optics.py b/tests/io/vasp/test_optics.py index db1db1e9fc2..8ce09028b40 100644 --- a/tests/io/vasp/test_optics.py +++ b/tests/io/vasp/test_optics.py @@ -7,7 +7,7 @@ from pymatgen.io.vasp.optics import DielectricFunctionCalculator, delta_func, delta_methfessel_paxton, step_func from pymatgen.io.vasp.outputs import Vasprun -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest __author__ = "Jimmy-Xuan Shen" __copyright__ = "Copyright 2022, The Materials Project" diff --git a/tests/io/vasp/test_outputs.py b/tests/io/vasp/test_outputs.py index d76cb004d21..a9bcf8d50bf 100644 --- a/tests/io/vasp/test_outputs.py +++ b/tests/io/vasp/test_outputs.py @@ -41,7 +41,7 @@ Xdatcar, ) from pymatgen.io.wannier90 import Unk -from pymatgen.util.testing import FAKE_POTCAR_DIR, TEST_FILES_DIR, VASP_IN_DIR, VASP_OUT_DIR, PymatgenTest +from pymatgen.util.testing import FAKE_POTCAR_DIR, TEST_FILES_DIR, VASP_IN_DIR, VASP_OUT_DIR, MatSciTest try: import h5py diff --git a/tests/io/xtb/test_inputs.py b/tests/io/xtb/test_inputs.py index 32f2f2c8030..9cba4039088 100644 --- a/tests/io/xtb/test_inputs.py +++ b/tests/io/xtb/test_inputs.py @@ -2,7 +2,7 @@ from pymatgen.core.structure import Molecule from pymatgen.io.xtb.inputs import CRESTInput -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest __author__ = "Alex Epstein" __copyright__ = "Copyright 2020, The Materials Project" diff --git a/tests/io/xtb/test_outputs.py b/tests/io/xtb/test_outputs.py index 2bd19d6c6a6..ddec65b5a69 100644 --- a/tests/io/xtb/test_outputs.py +++ b/tests/io/xtb/test_outputs.py @@ -7,7 +7,7 @@ from pymatgen.core.structure import Molecule from pymatgen.io.qchem.outputs import check_for_structure_changes from pymatgen.io.xtb.outputs import CRESTOutput -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest try: from openbabel import openbabel diff --git a/tests/phonon/test_bandstructure.py b/tests/phonon/test_bandstructure.py index 0bccefb6399..cd5454d171c 100644 --- a/tests/phonon/test_bandstructure.py +++ b/tests/phonon/test_bandstructure.py @@ -8,7 +8,7 @@ from pymatgen.electronic_structure.bandstructure import Kpoint from pymatgen.phonon.bandstructure import PhononBandStructureSymmLine -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/electronic_structure/bandstructure" diff --git a/tests/phonon/test_dos.py b/tests/phonon/test_dos.py index 16164585bf1..2ce211ddcbe 100644 --- a/tests/phonon/test_dos.py +++ b/tests/phonon/test_dos.py @@ -9,7 +9,7 @@ from pymatgen.core import Element from pymatgen.phonon.dos import CompletePhononDos, PhononDos -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/phonon/dos" diff --git a/tests/phonon/test_gruneisen.py b/tests/phonon/test_gruneisen.py index 12298435cd9..365d9fa229b 100644 --- a/tests/phonon/test_gruneisen.py +++ b/tests/phonon/test_gruneisen.py @@ -9,7 +9,7 @@ from pymatgen.io.phonopy import get_gruneisen_ph_bs_symm_line, get_gruneisenparameter from pymatgen.phonon.gruneisen import GruneisenParameter from pymatgen.phonon.plotter import GruneisenPhononBandStructureSymmLine, GruneisenPhononBSPlotter, GruneisenPlotter -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest try: import phonopy diff --git a/tests/phonon/test_ir_spectra.py b/tests/phonon/test_ir_spectra.py index b910b86f11e..f9374b96051 100644 --- a/tests/phonon/test_ir_spectra.py +++ b/tests/phonon/test_ir_spectra.py @@ -2,7 +2,7 @@ from monty.serialization import loadfn -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest class TestIRDielectricTensor(MatSciTest): diff --git a/tests/phonon/test_thermal_displacements.py b/tests/phonon/test_thermal_displacements.py index 40b49d1df17..ee339fd069a 100644 --- a/tests/phonon/test_thermal_displacements.py +++ b/tests/phonon/test_thermal_displacements.py @@ -6,7 +6,7 @@ from pymatgen.core.structure import Structure from pymatgen.phonon.thermal_displacements import ThermalDisplacementMatrices -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/phonon/thermal_displacement_matrices" diff --git a/tests/symmetry/test_kpath_lm.py b/tests/symmetry/test_kpath_lm.py index 2151cff606a..bb6299f9ffd 100644 --- a/tests/symmetry/test_kpath_lm.py +++ b/tests/symmetry/test_kpath_lm.py @@ -8,7 +8,7 @@ from pymatgen.core.structure import Structure from pymatgen.symmetry.analyzer import SpacegroupAnalyzer from pymatgen.symmetry.kpath import KPathLatimerMunro -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest class TestKPathLatimerMunro(MatSciTest): diff --git a/tests/symmetry/test_kpath_sc.py b/tests/symmetry/test_kpath_sc.py index ed465262f55..bede6afd292 100644 --- a/tests/symmetry/test_kpath_sc.py +++ b/tests/symmetry/test_kpath_sc.py @@ -6,7 +6,7 @@ from pymatgen.core.lattice import Lattice from pymatgen.core.structure import Structure from pymatgen.symmetry.kpath import KPathSetyawanCurtarolo -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest TEST_DIR = f"{TEST_FILES_DIR}/symmetry/space_group_structs" diff --git a/tests/symmetry/test_kpaths.py b/tests/symmetry/test_kpaths.py index 1d252a396a8..dc3f4c44c5a 100644 --- a/tests/symmetry/test_kpaths.py +++ b/tests/symmetry/test_kpaths.py @@ -7,7 +7,7 @@ from pymatgen.core.lattice import Lattice from pymatgen.core.structure import Structure from pymatgen.symmetry.bandstructure import HighSymmKpath -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest try: from seekpath import get_path diff --git a/tests/symmetry/test_site_symmetries.py b/tests/symmetry/test_site_symmetries.py index c2d4159cf0b..504f3a81dc6 100644 --- a/tests/symmetry/test_site_symmetries.py +++ b/tests/symmetry/test_site_symmetries.py @@ -6,7 +6,7 @@ from monty.json import MontyDecoder from pymatgen.symmetry import site_symmetries as ss -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest __author__ = "Handong Ling" __version__ = "0.1" diff --git a/tests/util/test_io.py b/tests/util/test_io.py index fcd250a0bff..7b05276169a 100644 --- a/tests/util/test_io.py +++ b/tests/util/test_io.py @@ -1,7 +1,7 @@ from __future__ import annotations from pymatgen.util.io_utils import micro_pyawk -from pymatgen.util.testing import VASP_OUT_DIR, PymatgenTest +from pymatgen.util.testing import VASP_OUT_DIR, MatSciTest class TestFunc(MatSciTest): diff --git a/tests/vis/test_plotters.py b/tests/vis/test_plotters.py index e2838de0d5f..06207f583a6 100644 --- a/tests/vis/test_plotters.py +++ b/tests/vis/test_plotters.py @@ -8,7 +8,7 @@ from monty.json import MontyDecoder from pymatgen.analysis.xas.spectrum import XAS -from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest +from pymatgen.util.testing import TEST_FILES_DIR, MatSciTest from pymatgen.vis.plotters import SpectrumPlotter with open(f"{TEST_FILES_DIR}/analysis/spectrum_test/LiCoO2_k_xanes.json") as file: