fixup! Tests: Added utilTests

ReactionMechanismGenerator · Nov 1, 2019 · 059fb6f · 059fb6f
1 parent 02c5876
commit 059fb6f
Showing 1 changed file with 17 additions and 14 deletions.
diff --git a/arkane/utilTest.py b/arkane/utilTest.py
@@ -47,23 +47,26 @@ class TestThermo(unittest.TestCase):
     """
     Contains unit tests of the util module.
     """
+    @classmethod
+    def setUpClass(cls):
+        """
+        A method that is run before all unit tests in this class.
+        """
+        cls.data_path = os.path.join(os.path.dirname(__file__), 'data')
 
     def test_determine_qm_software(self):
         """Test identifying the electronic structure software from the log file"""
-        gaussian_log_path1 = os.path.join(os.path.dirname(__file__), 'data', 'ethylene_G3.log')
-        gaussian_log_path2 = os.path.join(os.path.dirname(__file__), 'data', 'oxygen.log')
-        molpro_log_path1 = os.path.join(os.path.dirname(__file__), 'data', 'HOSI_ccsd_t1.out')
-        molpro_log_path2 = os.path.join(os.path.dirname(__file__), 'data', 'HOSI_ccsd_t1.out')
-        qchem_log_path1 = os.path.join(os.path.dirname(__file__), 'data', 'CH4_sp_qchem.out')
-        qchem_log_path2 = os.path.join(os.path.dirname(__file__), 'data', 'co.out')
-        terachem_log_path_1 = os.path.join(os.path.dirname(__file__), 'data', 'terachem', 'ethane_minimize_output.out')
-        terachem_log_path_2 = os.path.join(os.path.dirname(__file__), 'data', 'terachem',
-                                           'formaldehyde_sp_terachem_output.out')
-        terachem_log_path_3 = os.path.join(os.path.dirname(__file__), 'data', 'terachem',
-                                           'formaldehyde_sp_terachem_results.dat')
-        terachem_log_path_4 = os.path.join(os.path.dirname(__file__), 'data', 'terachem', 'formaldehyde_coords.xyz')
-        terachem_log_path_5 = os.path.join(os.path.dirname(__file__), 'data', 'terachem',
-                                           'formaldehyde_output.geometry')
+        gaussian_log_path1 = os.path.join(self.data_path, 'gaussian', 'ethylene_G3.log')
+        gaussian_log_path2 = os.path.join(self.data_path, 'gaussian', 'oxygen.log')
+        molpro_log_path1 = os.path.join(self.data_path, 'molpro', 'HOSI_ccsd_t1.out')
+        molpro_log_path2 = os.path.join(self.data_path, 'molpro', 'molpro_mrci+q.out')
+        qchem_log_path1 = os.path.join(self.data_path, 'qchem', 'CH4_sp.out')
+        qchem_log_path2 = os.path.join(self.data_path, 'qchem', 'co.out')
+        terachem_log_path_1 = os.path.join(self.data_path, 'terachem', 'ethane_minimize_output.out')
+        terachem_log_path_2 = os.path.join(self.data_path, 'terachem', 'formaldehyde_sp_terachem_output.out')
+        terachem_log_path_3 = os.path.join(self.data_path, 'terachem', 'formaldehyde_sp_terachem_results.dat')
+        terachem_log_path_4 = os.path.join(self.data_path, 'terachem', 'formaldehyde_coords.xyz')
+        terachem_log_path_5 = os.path.join(self.data_path, 'terachem', 'formaldehyde_output.geometry')
         non_ess_log_path = os.path.join(os.path.dirname(__file__), 'data', 'methoxy.py')
 
         self.assertIsInstance(determine_qm_software(gaussian_log_path1), GaussianLog)