fix TypeError: allclose() missing 1 required positional argument: 'b'

materialsproject · Oct 19, 2023 · fde68d9 · fde68d9
1 parent 650fb08
commit fde68d9
Showing 1 changed file with 6 additions and 6 deletions.
diff --git a/tests/vasp/flows/test_phonons.py b/tests/vasp/flows/test_phonons.py
@@ -77,7 +77,7 @@ def test_phonon_wf_only_displacements3(mock_vasp, clean_dir):
     assert np.allclose(
         responses[job.jobs[-1].uuid][1].output.temperatures, [0, 100, 200, 300, 400]
     )
-    assert np.allclose(responses[job.jobs[-1].uuid][1].output.has_imaginary_modes)
+    assert responses[job.jobs[-1].uuid][1].output.has_imaginary_modes is False
     assert responses[job.jobs[-1].uuid][1].output.force_constants is None
     assert isinstance(responses[job.jobs[-1].uuid][1].output.jobdirs, PhononJobDirs)
     assert isinstance(responses[job.jobs[-1].uuid][1].output.uuids, PhononUUIDs)
@@ -243,7 +243,7 @@ def test_phonon_wf_only_displacements_no_structural_transformation(
     assert np.allclose(
         responses[job.jobs[-1].uuid][1].output.temperatures, [0, 100, 200, 300, 400]
     )
-    assert np.allclose(responses[job.jobs[-1].uuid][1].output.has_imaginary_modes)
+    assert responses[job.jobs[-1].uuid][1].output.has_imaginary_modes is False
     assert responses[job.jobs[-1].uuid][1].output.force_constants is None
     assert isinstance(responses[job.jobs[-1].uuid][1].output.jobdirs, PhononJobDirs)
     assert isinstance(responses[job.jobs[-1].uuid][1].output.uuids, PhononUUIDs)
@@ -375,7 +375,7 @@ def test_phonon_wf_only_displacements_kpath(mock_vasp, clean_dir, kpathscheme):
     assert np.allclose(
         responses[job.jobs[-1].uuid][1].output.temperatures, [0, 100, 200, 300, 400]
     )
-    assert np.allclose(responses[job.jobs[-1].uuid][1].output.has_imaginary_modes)
+    assert responses[job.jobs[-1].uuid][1].output.has_imaginary_modes is False
     assert np.isclose(
         responses[job.jobs[-1].uuid][1].output.force_constants.force_constants[0][0][0][
             0
@@ -533,7 +533,7 @@ def test_phonon_wf_only_displacements_add_inputs(mock_vasp, clean_dir):
     assert np.allclose(
         responses[job.jobs[-1].uuid][1].output.temperatures, [0, 100, 200, 300, 400]
     )
-    assert np.allclose(responses[job.jobs[-1].uuid][1].output.has_imaginary_modes)
+    assert responses[job.jobs[-1].uuid][1].output.has_imaginary_modes is False
     assert np.isclose(
         responses[job.jobs[-1].uuid][1].output.force_constants.force_constants[0][0][0][
             0
@@ -664,7 +664,7 @@ def test_phonon_wf_only_displacements_optional_settings(mock_vasp, clean_dir):
     assert np.allclose(
         responses[job.jobs[-1].uuid][1].output.temperatures, [0, 100, 200, 300, 400]
     )
-    assert np.allclose(responses[job.jobs[-1].uuid][1].output.has_imaginary_modes)
+    assert responses[job.jobs[-1].uuid][1].output.has_imaginary_modes is False
     assert responses[job.jobs[-1].uuid][1].output.force_constants is None
     assert isinstance(responses[job.jobs[-1].uuid][1].output.jobdirs, PhononJobDirs)
     assert isinstance(responses[job.jobs[-1].uuid][1].output.uuids, PhononUUIDs)
@@ -762,7 +762,7 @@ def test_phonon_wf_all_steps(mock_vasp, clean_dir):
     assert np.allclose(
         responses[job.jobs[-1].uuid][1].output.temperatures, [0, 100, 200, 300, 400]
     )
-    assert np.allclose(responses[job.jobs[-1].uuid][1].output.has_imaginary_modes)
+    assert responses[job.jobs[-1].uuid][1].output.has_imaginary_modes is False
     assert np.isclose(
         responses[job.jobs[-1].uuid][1].output.force_constants.force_constants[0][0][0][
             0