Update test files

SMTG-Bham · Jun 11, 2024 · 42c54ad · 42c54ad
1 parent 209e72e
commit 42c54ad
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Showing 21 changed files with 23 additions and 19 deletions.
diff --git a/doped/utils/symmetry.py b/doped/utils/symmetry.py
@@ -26,6 +26,8 @@
     _get_unrelaxed_defect_structure,
 )
 
+warnings.filterwarnings("ignore", "dict interface")  # ignore spglib warning from v2.4.1
+
 
 def _set_spglib_warnings_env_var():
     """
@@ -1083,6 +1085,7 @@ def point_symmetry_from_defect(defect, symm_ops=None, symprec=0.01):
     Returns:
         str: Defect point symmetry.
     """
+    warnings.filterwarnings("ignore", "dict interface")  # ignore spglib warning from v2.4.1
     symm_dataset, _unique_sites = _get_symm_dataset_of_struc_with_all_equiv_sites(
         defect.site.frac_coords, defect.structure, symm_ops=symm_ops, symprec=symprec
     )

diff --git a/examples/CdTe/CdTe_example_defect_dict.json b/examples/CdTe/CdTe_example_defect_dict.json
diff --git a/examples/CdTe/CdTe_example_thermo.json b/examples/CdTe/CdTe_example_thermo.json
diff --git a/examples/Sb2Si2Te6/Sb2Si2Te6_example_defect_dict.json b/examples/Sb2Si2Te6/Sb2Si2Te6_example_defect_dict.json
diff --git a/examples/Sb2Si2Te6/Sb2Si2Te6_example_thermo.json b/examples/Sb2Si2Te6/Sb2Si2Te6_example_thermo.json
diff --git a/examples/YTOS/YTOS_example_defect_dict.json b/examples/YTOS/YTOS_example_defect_dict.json
diff --git a/examples/YTOS/YTOS_example_thermo.json b/examples/YTOS/YTOS_example_thermo.json
diff --git a/tests/data/CdTe_defect_gen.json b/tests/data/CdTe_defect_gen.json
diff --git a/tests/data/N_diamond_defect_gen.json b/tests/data/N_diamond_defect_gen.json
diff --git a/tests/data/Sb2Se3/Sb2Se3_O_example_thermo.json b/tests/data/Sb2Se3/Sb2Se3_O_example_thermo.json
diff --git a/tests/data/Sb2Se3/defect/Sb2Se3_O_example_defect_dict.json b/tests/data/Sb2Se3/defect/Sb2Se3_O_example_defect_dict.json
diff --git a/tests/data/V2O5/V2O5_example_defect_dict.json b/tests/data/V2O5/V2O5_example_defect_dict.json
diff --git a/tests/data/V2O5/V2O5_example_thermo.json b/tests/data/V2O5/V2O5_example_thermo.json
diff --git a/tests/data/ZnS/ZnS_thermo.json b/tests/data/ZnS/ZnS_thermo.json
diff --git a/tests/data/agcu_defect_gen.json b/tests/data/agcu_defect_gen.json
diff --git a/tests/data/cd_i_supercell_defect_gen.json b/tests/data/cd_i_supercell_defect_gen.json
diff --git a/tests/data/cu_defect_gen.json b/tests/data/cu_defect_gen.json
diff --git a/tests/data/lmno_defect_gen.json b/tests/data/lmno_defect_gen.json
diff --git a/tests/data/ytos_defect_gen.json b/tests/data/ytos_defect_gen.json
diff --git a/tests/data/ytos_defect_gen_supercell.json b/tests/data/ytos_defect_gen_supercell.json
diff --git a/tests/test_analysis.py b/tests/test_analysis.py
@@ -907,6 +907,7 @@ def test_V2O5_same_named_defects(self):
                 shutil.move(f"V2O5_test/{i}", f"V2O5_test/unrecognised_{i[-1]}")
 
         with warnings.catch_warnings(record=True) as w:
+            warnings.simplefilter("error")
             dp = DefectsParser("V2O5_test", dielectric=[4.186, 19.33, 17.49])
         print([str(warning.message) for warning in w])  # for debugging
         assert not w  # no warnings