Python main Examples

Example #1

File: test_evbdump2data.py Project: team-mayes/md_utils

 def testNoHydData(self):
     """
     Because the types do not match the data file, did not find the molecules desired.
     """
     evbdump2data.main(["-c", GLU_BAD_ATOM_TYPE_INI])
     with capture_stderr(evbdump2data.main, ["-c", GLU_BAD_ATOM_TYPE_INI]) as output:
         self.assertTrue("Check the data file" in output)
     silent_remove(REPROD_TPL)

Example #2

File: test_evbdump2data.py Project: jiaozihao18/md_utils

 def testNoHydData(self):
     """
     Because the types do not match the data file, did not find the molecules desired.
     """
     evbdump2data.main(["-c", GLU_BAD_ATOM_TYPE_INI])
     with capture_stderr(evbdump2data.main,
                         ["-c", GLU_BAD_ATOM_TYPE_INI]) as output:
         self.assertTrue("Check the data file" in output)
     silent_remove(REPROD_TPL)

Example #3

File: test_evbdump2data.py Project: team-mayes/md_utils

 def testReadOneFile(self):
     main(["-c", GLU_ONE_FILE_INI])

Example #4

File: test_evbdump2data.py Project: team-mayes/md_utils

 def testTplAtomWrongOrder(self):
     main(["-c", TPL_WRONG_ATOM_ORDER_INI])
     with capture_stderr(main, ["-c", TPL_WRONG_ATOM_ORDER_INI]) as output:
         self.assertTrue("which does not match" in output)

Example #5

File: test_evbdump2data.py Project: jiaozihao18/md_utils

 def testReadOneFile(self):
     main(["-c", GLU_ONE_FILE_INI])

Example #6

File: test_evbdump2data.py Project: jiaozihao18/md_utils

 def testTplAtomWrongOrder(self):
     main(["-c", TPL_WRONG_ATOM_ORDER_INI])
     with capture_stderr(main, ["-c", TPL_WRONG_ATOM_ORDER_INI]) as output:
         self.assertTrue("which does not match" in output)