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pre-commit-ci[bot] committed Dec 4, 2024
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Showing 90 changed files with 90 additions and 90 deletions.
2 changes: 1 addition & 1 deletion tests/alchemy/test_filters.py
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Expand Up @@ -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


class TestContainsSpecieFilter(MatSciTest):
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2 changes: 1 addition & 1 deletion tests/alchemy/test_transmuters.py
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Expand Up @@ -8,7 +8,7 @@
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(MatSciTest):
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Expand Up @@ -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

__author__ = "waroquiers"

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Expand Up @@ -9,7 +9,7 @@
LightStructureEnvironments,
StructureEnvironments,
)
from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest
from pymatgen.util.testing import TEST_FILES_DIR

__author__ = "waroquiers"

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Expand Up @@ -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

__author__ = "waroquiers"

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Expand Up @@ -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

__author__ = "waroquiers"

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Original file line number Diff line number Diff line change
Expand Up @@ -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

__author__ = "waroquiers"

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Original file line number Diff line number Diff line change
Expand Up @@ -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

__author__ = "waroquiers"

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Expand Up @@ -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"

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2 changes: 1 addition & 1 deletion tests/analysis/chemenv/utils/test_chemenv_config.py
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Expand Up @@ -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

__author__ = "waroquiers"

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2 changes: 1 addition & 1 deletion tests/analysis/elasticity/test_elastic.py
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Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/analysis/elasticity"

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2 changes: 1 addition & 1 deletion tests/analysis/ferroelectricity/test_polarization.py
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Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/io/vasp/fixtures/BTO_221_99_polarization"
bto_folders = ["nonpolar_polarization"]
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2 changes: 1 addition & 1 deletion tests/analysis/solar/test_slme.py
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Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/analysis/solar"

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2 changes: 1 addition & 1 deletion tests/analysis/test_bond_valence.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/analysis/bond_valence"

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2 changes: 1 addition & 1 deletion tests/analysis/test_chempot_diagram.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/analysis"

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2 changes: 1 addition & 1 deletion tests/analysis/test_dimensionality.py
Original file line number Diff line number Diff line change
Expand Up @@ -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


class TestLarsenDimensionality(MatSciTest):
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2 changes: 1 addition & 1 deletion tests/analysis/test_fragmenter.py
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Expand Up @@ -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

__author__ = "Samuel Blau"
__email__ = "[email protected]"
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2 changes: 1 addition & 1 deletion tests/analysis/test_graphs.py
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Expand Up @@ -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

try:
from openbabel import openbabel
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2 changes: 1 addition & 1 deletion tests/analysis/test_local_env.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/analysis/local_env/fragmenter_files"

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2 changes: 1 addition & 1 deletion tests/analysis/test_phase_diagram.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/analysis"

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2 changes: 1 addition & 1 deletion tests/analysis/test_piezo_sensitivity.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

try:
from phonopy import Phonopy
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2 changes: 1 addition & 1 deletion tests/analysis/test_pourbaix_diagram.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/analysis/pourbaix_diagram"

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2 changes: 1 addition & 1 deletion tests/analysis/test_structure_analyzer.py
Original file line number Diff line number Diff line change
Expand Up @@ -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


class TestVoronoiAnalyzer(MatSciTest):
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2 changes: 1 addition & 1 deletion tests/analysis/test_structure_matcher.py
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Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/analysis/structure_matcher"

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2 changes: 1 addition & 1 deletion tests/analysis/test_surface_analysis.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

__author__ = "Richard Tran"
__copyright__ = "Copyright 2012, The Materials Project"
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2 changes: 1 addition & 1 deletion tests/analysis/test_transition_state.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

"""
TODO: Modify unittest doc.
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2 changes: 1 addition & 1 deletion tests/analysis/test_wulff.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

__author__ = "Zihan Xu, Richard Tran, Balachandran Radhakrishnan"
__copyright__ = "Copyright 2013, The Materials Virtual Lab"
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2 changes: 1 addition & 1 deletion tests/analysis/test_xps.py
Original file line number Diff line number Diff line change
Expand Up @@ -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


class TestXPS(MatSciTest):
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2 changes: 1 addition & 1 deletion tests/analysis/topological/test_spillage.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/analysis/topological"

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2 changes: 1 addition & 1 deletion tests/analysis/xas/test_spectrum.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/analysis/spectrum_test"

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2 changes: 1 addition & 1 deletion tests/apps/battery/test_analyzer.py
Original file line number Diff line number Diff line change
Expand Up @@ -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


class TestBatteryAnalyzer(MatSciTest):
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2 changes: 1 addition & 1 deletion tests/command_line/test_bader_caller.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/command_line/bader"

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2 changes: 1 addition & 1 deletion tests/command_line/test_enumlib_caller.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

ENUM_CMD = which("enum.x") or which("multienum.x")
MAKESTR_CMD = which("makestr.x") or which("makeStr.x") or which("makeStr.py")
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2 changes: 1 addition & 1 deletion tests/command_line/test_mcsqs_caller.py
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Expand Up @@ -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

__author__ = "Handong Ling, Rachel Woods-Robinson"
__maintainer__ = "Handong Ling, Rachel Woods-Robinson"
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2 changes: 1 addition & 1 deletion tests/command_line/test_vampire_caller.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/analysis/magnetic_orderings"

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2 changes: 1 addition & 1 deletion tests/core/test_interface.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/core/grain_boundary"

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2 changes: 1 addition & 1 deletion tests/core/test_surface.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

PMG_CORE_DIR = os.path.dirname(pymatgen.core.__file__)

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2 changes: 1 addition & 1 deletion tests/core/test_tensors.py
Original file line number Diff line number Diff line change
Expand Up @@ -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


class TestTensor(MatSciTest):
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2 changes: 1 addition & 1 deletion tests/core/test_trajectory.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/core/trajectory"

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2 changes: 1 addition & 1 deletion tests/electronic_structure/test_bandstructure.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/electronic_structure/bandstructure"

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2 changes: 1 addition & 1 deletion tests/electronic_structure/test_cohp.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/electronic_structure/cohp"

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2 changes: 1 addition & 1 deletion tests/electronic_structure/test_dos.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/electronic_structure/dos"

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2 changes: 1 addition & 1 deletion tests/electronic_structure/test_plotter.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

BAND_TEST_DIR = f"{TEST_FILES_DIR}/electronic_structure/bandstructure"

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2 changes: 1 addition & 1 deletion tests/entries/test_entry_tools.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

TEST_DIR = f"{TEST_FILES_DIR}/entries"

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