Ejemplo n.º 1
0
 def test_is_complete(self):
     kdict=dict()
     kdict['mast_neb_settings']=dict()
     kdict['mast_neb_settings']['images']=3
     myvcneb=VaspNEBChecker(name="notready1",program_keys=kdict)
     self.assertFalse(myvcneb.is_complete())
     myvcneb=VaspNEBChecker(name="ready",program_keys=kdict)
     self.assertFalse(myvcneb.is_complete())
     myvcneb=VaspNEBChecker(name="started",program_keys=kdict)
     self.assertFalse(myvcneb.is_complete())
     myvcneb=VaspNEBChecker(name="done",program_keys=kdict)
     self.assertTrue(myvcneb.is_complete())