Tests: Detect successful MRCI run in Orca

ReactionMechanismGenerator · Aug 19, 2024 · 9722fe0 · 9722fe0
1 parent c1c1b9a
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diff --git a/arc/job/trsh_test.py b/arc/job/trsh_test.py
@@ -172,6 +172,14 @@ def test_determine_ess_status(self):
         self.assertEqual(keywords, list())
         self.assertEqual(error, "")
         self.assertEqual(line, "")
+        path = os.path.join(self.base_path["orca"], "O2_MRCI.log")
+        status, keywords, error, line = trsh.determine_ess_status(
+            output_path=path, species_label="test", job_type="sp", software="orca"
+        )
+        self.assertEqual(status, "done")
+        self.assertEqual(keywords, list())
+        self.assertEqual(error, "")
+        self.assertEqual(line, "")
 
         # test detection of a successful job
         # notice that the log file in this example has a different format under the line