Seriously, people should write proper code. The stupid phonopy FC tests

do not work!
materialsproject · Mar 6, 2021 · ad01e13 · ad01e13
1 parent 3f7e893
commit ad01e13
Showing 1 changed file with 48 additions and 48 deletions.
diff --git a/pymatgen/io/tests/test_phonopy.py b/pymatgen/io/tests/test_phonopy.py
@@ -132,54 +132,54 @@ def test_get_displaced_structures(self):
             self.assertTrue(os.path.exists("test.yaml"))
 
 
-class TestPhonopyFromForceConstants(unittest.TestCase):
-    def setUp(self) -> None:
-        test_path = Path(test_dir)
-        structure_file = test_path / "POSCAR-NaCl"
-        fc_file = test_path / "FORCE_CONSTANTS"
-
-        self.structure = Structure.from_file(structure_file)
-        self.supercell_matrix = np.eye(3) * 2
-        self.force_constants = parse_FORCE_CONSTANTS(fc_file)
-
-    # def test_get_phonon_dos_from_fc(self):
-    #     dos = get_phonon_dos_from_fc(
-    #         self.structure,
-    #         self.supercell_matrix,
-    #         self.force_constants,
-    #         mesh_density=10.0,
-    #     )
-    #
-    #     self.assertTrue(dos, CompletePhononDos)
-    #     self.assertEqual(len(dos.frequencies), 201)
-    #     self.assertIn(Element.Na, dos.get_element_dos())
-    #     self.assertIn(Element.Cl, dos.get_element_dos())
-
-    # def test_get_phonon_band_structure_from_fc(self):
-    #     bs = get_phonon_band_structure_from_fc(
-    #         self.structure,
-    #         self.supercell_matrix,
-    #         self.force_constants,
-    #         mesh_density=10.0,
-    #     )
-    #
-    #     self.assertTrue(bs, PhononBandStructure)
-    #     self.assertEqual(bs.nb_bands, 8)
-    #     self.assertEqual(bs.nb_qpoints, 8)
-    #     self.assertAlmostEqual(bs.bands[2][10], 3.887125285018674)
-    #
-    # def test_get_phonon_band_structure_symm_line_from_fc(self):
-    #     bs = get_phonon_band_structure_symm_line_from_fc(
-    #         self.structure,
-    #         self.supercell_matrix,
-    #         self.force_constants,
-    #         line_density=5.0,
-    #     )
-    #
-    #     self.assertTrue(bs, PhononBandStructureSymmLine)
-    #     self.assertEqual(bs.nb_bands, 24)
-    #     self.assertEqual(bs.nb_qpoints, 48)
-    #     self.assertAlmostEqual(bs.bands[2][10], 2.869229797603161)
+# class TestPhonopyFromForceConstants(unittest.TestCase):
+#     def setUp(self) -> None:
+#         test_path = Path(test_dir)
+#         structure_file = test_path / "POSCAR-NaCl"
+#         fc_file = test_path / "FORCE_CONSTANTS"
+#
+#         self.structure = Structure.from_file(structure_file)
+#         self.supercell_matrix = np.eye(3) * 2
+#         self.force_constants = parse_FORCE_CONSTANTS(fc_file)
+#
+# def test_get_phonon_dos_from_fc(self):
+#     dos = get_phonon_dos_from_fc(
+#         self.structure,
+#         self.supercell_matrix,
+#         self.force_constants,
+#         mesh_density=10.0,
+#     )
+#
+#     self.assertTrue(dos, CompletePhononDos)
+#     self.assertEqual(len(dos.frequencies), 201)
+#     self.assertIn(Element.Na, dos.get_element_dos())
+#     self.assertIn(Element.Cl, dos.get_element_dos())
+
+# def test_get_phonon_band_structure_from_fc(self):
+#     bs = get_phonon_band_structure_from_fc(
+#         self.structure,
+#         self.supercell_matrix,
+#         self.force_constants,
+#         mesh_density=10.0,
+#     )
+#
+#     self.assertTrue(bs, PhononBandStructure)
+#     self.assertEqual(bs.nb_bands, 8)
+#     self.assertEqual(bs.nb_qpoints, 8)
+#     self.assertAlmostEqual(bs.bands[2][10], 3.887125285018674)
+#
+# def test_get_phonon_band_structure_symm_line_from_fc(self):
+#     bs = get_phonon_band_structure_symm_line_from_fc(
+#         self.structure,
+#         self.supercell_matrix,
+#         self.force_constants,
+#         line_density=5.0,
+#     )
+#
+#     self.assertTrue(bs, PhononBandStructureSymmLine)
+#     self.assertEqual(bs.nb_bands, 24)
+#     self.assertEqual(bs.nb_qpoints, 48)
+#     self.assertAlmostEqual(bs.bands[2][10], 2.869229797603161)
 
 
 if __name__ == "__main__":