(tests) small cleanup in all files

pysipfenn/tests/test_AllCompatibleONNX_Ward2017.py

@@ -19,6 +19,4 @@ def test_runtime(self):
             c.runFromDirectory(directory=exampleInputsDir, descriptor='Ward2017')
         print(c.get_resultDicts())
         c.writeResultsToCSV('Ward2017-ONNX_testResults.csv')
-
-if __name__ == '__main__':
-    unittest.main()
+

pysipfenn/tests/test_Core_prototypeLibrary.py

@@ -91,8 +91,3 @@ def test_customPrototypeLoad(self):
 
         with self.subTest(msg="Restore the original prototype library"):
             pysipfenn.overwritePrototypeLibrary(backup)
-
-
-
-
-

pysipfenn/tests/test_KS2022.py

@@ -84,7 +84,3 @@ def test_parallel(self):
         '''
         KS2022.profileParallel(test='JVASP-10001', nRuns=24)
         KS2022.profileParallel(test='diluteNiAlloy', nRuns=24)
-
-
-if __name__ == '__main__':
-    unittest.main()

pysipfenn/tests/test_KS2022_dilute.py

@@ -99,7 +99,3 @@ def test_parallel(self):
         workers to speed up the execution.
         '''
         KS2022_dilute.profileParallel(test='diluteNiAlloy', nRuns=64)
-
-
-if __name__ == '__main__':
-    unittest.main()

pysipfenn/tests/test_KS2022_randomSolutions.py

@@ -76,6 +76,3 @@ def test_serialInParallel(self):
     def test_singleInParallel(self):
         '''Tests parallel execution profiling works.'''
         KS2022_randomSolutions.profile(test='BCC', nIterations=2)
-
-if __name__ == '__main__':
-    unittest.main()

pysipfenn/tests/test_Krajewski2020_NN9NN20NN24_ONNX.py

@@ -35,6 +35,4 @@ def test_resutls(self):
         for p, name, ref_mxnet in zip(c.predictions[0], toTest, referenceEnergies_MxNet):
             with self.subTest(msg=f'Predicting vs MxNet with {name:<16}'):
                 self.assertAlmostEqual(p, ref_mxnet, places=6)
-
-if __name__ == '__main__':
-    unittest.main()
+

pysipfenn/tests/test_Ward2017.py

@@ -69,7 +69,3 @@ def test_parallel(self):
         '''
         Ward2017.profileParallel(test='JVASP-10001', nRuns=24)
         Ward2017.profileParallel(test='diluteNiAlloy', nRuns=24)
-
-
-if __name__ == '__main__':
-    unittest.main()

pysipfenn/tests/test_customModel.py

@@ -52,7 +52,3 @@ def tearDown(self) -> None:
         print('\nTearing down')
         os.remove('MyFunNet.onnx')
         print('Removed MyFunNet')
-
-
-if __name__ == '__main__':
-    unittest.main()

pysipfenn/tests/test_pysipfenn.py

@@ -432,7 +432,3 @@ def test_descriptorCalculate_KS2022_randomSolution_parallel_multiple(self):
                 self.assertIn('finalAtomsN', meta)
                 self.assertIn('finalCompositionDistance', meta)
                 self.assertIn('finalComposition', meta)
-
-
-if __name__ == '__main__':
-    unittest.main()