fix some paths

materialsproject · Apr 18, 2024 · 7e64b5b · 7e64b5b
1 parent 4109a08
commit 7e64b5b
Show file tree

Hide file tree

Showing 6 changed files with 12 additions and 12 deletions.
diff --git a/tests/analysis/test_graphs.py b/tests/analysis/test_graphs.py
@@ -87,10 +87,10 @@ def setUp(self):
 
         # MoS2 example, structure graph obtained from critic2
         # (not ground state, from mp-1023924, single layer)
-        stdout_file = f"{TEST_FILES_DIR}/critic2/MoS2_critic2_stdout.txt"
+        stdout_file = f"{TEST_FILES_DIR}/command_line/critic2/MoS2_critic2_stdout.txt"
         with open(stdout_file) as txt_file:
             reference_stdout = txt_file.read()
-        self.structure = Structure.from_file(f"{TEST_FILES_DIR}/critic2/MoS2.cif")
+        self.structure = Structure.from_file(f"{TEST_FILES_DIR}/command_line/critic2/MoS2.cif")
         c2o = Critic2Analysis(self.structure, reference_stdout)
         self.mos2_sg = c2o.structure_graph(include_critical_points=False)
 

diff --git a/tests/electronic_structure/test_plotter.py b/tests/electronic_structure/test_plotter.py
@@ -249,7 +249,7 @@ def test_methods(self):
 
 class TestPlotBZ(TestCase):
     def setUp(self):
-        self.rec_latt = Structure.from_file(f"{TEST_FILES_DIR}/cssr/Si.cssr").lattice.reciprocal_lattice
+        self.rec_latt = Structure.from_file(f"{TEST_FILES_DIR}/io/cssr/Si.cssr").lattice.reciprocal_lattice
         self.kpath = [[[0.0, 0.0, 0.0], [0.5, 0.0, 0.5], [0.5, 0.25, 0.75], [0.375, 0.375, 0.75]]]
         self.labels = {
             "\\Gamma": [0.0, 0.0, 0.0],

diff --git a/tests/io/test_adf.py b/tests/io/test_adf.py
@@ -250,13 +250,13 @@ def test_main(self):
         task = AdfTask("optimize", **rhb18)
         inp = AdfInput(task)
         inp.write_file(mol, tmp_file)
-        expected = readfile(f"{TEST_DIR}/adf/RhB18_adf.inp")
+        expected = readfile(f"{TEST_DIR}/RhB18_adf.inp")
         assert readfile(tmp_file) == expected
 
 
 class TestAdfOutput:
     def test_analytical_freq(self):
-        filename = f"{TEST_DIR}/adf/analytical_freq/adf.out"
+        filename = f"{TEST_DIR}/analytical_freq/adf.out"
         adf_out = AdfOutput(filename)
         assert adf_out.final_energy == approx(-0.54340325)
         assert len(adf_out.energies) == 4
@@ -269,7 +269,7 @@ def test_analytical_freq(self):
         assert adf_out.normal_modes[0][8] == approx(-0.562)
 
     def test_numerical_freq(self):
-        filename = f"{TEST_DIR}/adf/numerical_freq/adf.out"
+        filename = f"{TEST_DIR}/numerical_freq/adf.out"
         adf_out = AdfOutput(filename)
         assert adf_out.freq_type == "Numerical"
         assert len(adf_out.final_structure) == 4
@@ -285,7 +285,7 @@ def test_numerical_freq(self):
         assert adf_out.normal_modes[1][9] == approx(-0.536)
 
     def test_single_point(self):
-        filename = f"{TEST_DIR}/adf/sp/adf.out"
+        filename = f"{TEST_DIR}/sp/adf.out"
         adf_out = AdfOutput(filename)
         assert adf_out.final_energy == approx(-0.74399276)
         assert len(adf_out.final_structure) == 4
diff --git a/tests/io/test_cif.py b/tests/io/test_cif.py
@@ -543,7 +543,7 @@ def test_disordered(self):
             assert l1.strip() == l2.strip()
 
     def test_cif_writer_without_refinement(self):
-        si2 = Structure.from_file(f"{TEST_FILES_DIR}/abinit/si.cif")
+        si2 = Structure.from_file(f"{TEST_FILES_DIR}/io/abinit/si.cif")
 
         writer = CifWriter(si2, symprec=1e-3, significant_figures=10, refine_struct=False)
         cif_str = str(writer)

diff --git a/tests/io/vasp/test_outputs.py b/tests/io/vasp/test_outputs.py
@@ -1913,11 +1913,11 @@ def test_get_parchg(self):
         assert_allclose(c.data["total"], 0.0)
 
     def test_write_unks(self):
-        unk_std = Unk.from_file(f"{TEST_FILES_DIR}/wannier90/UNK.N2.std")
-        unk_ncl = Unk.from_file(f"{TEST_FILES_DIR}/wannier90/UNK.H2.ncl")
+        unk_std = Unk.from_file(f"{TEST_FILES_DIR}/io/wannier90/UNK.N2.std")
+        unk_ncl = Unk.from_file(f"{TEST_FILES_DIR}/io/wannier90/UNK.H2.ncl")
 
         with pytest.raises(ValueError, match="invalid directory"):
-            self.wavecar.write_unks(f"{TEST_FILES_DIR}/wannier90/UNK.N2.std")
+            self.wavecar.write_unks(f"{TEST_FILES_DIR}/io/wannier90/UNK.N2.std")
 
         # different grids
         self.wavecar.write_unks("./unk_dir")

diff --git a/tests/phonon/test_thermal_displacements.py b/tests/phonon/test_thermal_displacements.py
@@ -8,7 +8,7 @@
 from pymatgen.phonon.thermal_displacements import ThermalDisplacementMatrices
 from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest
 
-TEST_DIR = TEST_FILES_DIR / "phonopy"
+TEST_DIR = f"{TEST_FILES_DIR}/io/phonopy"
 
 
 class TestThermalDisplacement(PymatgenTest):