add test file

materialsproject · Jun 28, 2023 · 4aca411 · 4aca411
1 parent 741cdd9
commit 4aca411
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Showing 2 changed files with 6 additions and 4 deletions.
diff --git a/tests/common/schemas/test_cclib.py b/tests/common/schemas/test_cclib.py
@@ -56,11 +56,13 @@ def test_cclib_taskdoc(test_dir):
     assert "Could not parse" in str(e.value)
 
     # Test a population analysis
-    doc = TaskDocument.from_logfile(p, ".out", analysis="MBO").dict()
+    doc = TaskDocument.from_logfile(p, "psi_test.out", analysis="MBO").dict()
     assert doc["attributes"]["mbo"] is not None
 
     # Let's try with two analysis (also check case-insensitivity)
-    doc = TaskDocument.from_logfile(p, ".out", analysis=["mbo", "density"]).dict()
+    doc = TaskDocument.from_logfile(
+        p, "psi_test.out", analysis=["mbo", "density"]
+    ).dict()
     assert doc["attributes"]["mbo"] is not None
     assert doc["attributes"]["density"] is not None
 
@@ -75,7 +77,7 @@ def test_cclib_taskdoc(test_dir):
         p / "psi_test.cube", "wb"
     ) as f_out:
         shutil.copyfileobj(f_in, f_out)
-    doc = TaskDocument.from_logfile(p, ".out", analysis=["Bader"]).dict()
+    doc = TaskDocument.from_logfile(p, "psi_test.out", analysis=["Bader"]).dict()
     os.remove(p / "psi_test.cube")
     assert doc["attributes"]["bader"] is not None
 
@@ -90,7 +92,7 @@ def test_cclib_taskdoc(test_dir):
     assert doc.dict()["test"] == "hi"
 
     # Test that the dict printing works
-    task = TaskDocument.from_logfile(p, ".out")
+    task = TaskDocument.from_logfile(p, "orca.out")
     task.dict()
 
     # test document can be jsanitized

diff --git a/tests/test_data/schemas/orca.out.gz b/tests/test_data/schemas/orca.out.gz