Пример #1
0
 def test_is_complete_additional_cases(self):
     kdict = dict()
     kdict["ibrion"] = "-1"
     kdict["nsw"] = "0"
     vcs = VaspChecker(name="done_static", program_keys=kdict)
     self.assertTrue(vcs.is_complete())
     vcs = VaspChecker(name="done_static_butnotconverged", program_keys=kdict)
     self.assertFalse(vcs.is_complete())
     vcs = VaspChecker(name="notdone_static_notconverged", program_keys=kdict)
     self.assertFalse(vcs.is_complete())
     kdict = dict()
     kdict["ibrion"] = "2"
     kdict["nsw"] = "191"
     vcr = VaspChecker(name="notdone_notconverged", program_keys=kdict)
     self.assertFalse(vcr.is_complete())
     vcr = VaspChecker(name="done_butnotconverged", program_keys=kdict)
     self.assertFalse(vcr.is_complete())
     kdict = dict()
     kdict["ibrion"] = "0"
     kdict["nsw"] = "191"
     vcr = VaspChecker(name="done_butnotconverged", program_keys=kdict)
     self.assertTrue(vcr.is_complete())
     vcr = VaspChecker(name="notdone_notconverged", program_keys=kdict)
     self.assertFalse(vcr.is_complete())
     kdict = dict()
     kdict["ibrion"] = "5"
     kdict["nsw"] = "191"
     vcr = VaspChecker(name="done_butnotconverged", program_keys=kdict)
     self.assertTrue(vcr.is_complete())
     vcr = VaspChecker(name="notdone_notconverged", program_keys=kdict)
     self.assertFalse(vcr.is_complete())
Пример #2
0
 def test_is_complete_additional_cases(self):
     kdict = dict()
     kdict['ibrion'] = "-1"
     kdict['nsw'] = "0"
     vcs = VaspChecker(name="done_static", program_keys=kdict)
     self.assertTrue(vcs.is_complete())
     vcs = VaspChecker(name="done_static_butnotconverged",
                       program_keys=kdict)
     self.assertFalse(vcs.is_complete())
     vcs = VaspChecker(name="notdone_static_notconverged",
                       program_keys=kdict)
     self.assertFalse(vcs.is_complete())
     kdict = dict()
     kdict['ibrion'] = "2"
     kdict['nsw'] = "191"
     vcr = VaspChecker(name="notdone_notconverged", program_keys=kdict)
     self.assertFalse(vcr.is_complete())
     vcr = VaspChecker(name="done_butnotconverged", program_keys=kdict)
     self.assertFalse(vcr.is_complete())
     kdict = dict()
     kdict['ibrion'] = "0"
     kdict['nsw'] = "191"
     vcr = VaspChecker(name="done_butnotconverged", program_keys=kdict)
     self.assertTrue(vcr.is_complete())
     vcr = VaspChecker(name="notdone_notconverged", program_keys=kdict)
     self.assertFalse(vcr.is_complete())
     kdict = dict()
     kdict['ibrion'] = "5"
     kdict['nsw'] = "191"
     vcr = VaspChecker(name="done_butnotconverged", program_keys=kdict)
     self.assertTrue(vcr.is_complete())
     vcr = VaspChecker(name="notdone_notconverged", program_keys=kdict)
     self.assertFalse(vcr.is_complete())
Пример #3
0
 def test_is_complete(self):
     vcc = VaspChecker(name="done")
     vcs = VaspChecker(name="started")
     self.assertFalse(vcs.is_complete())
     self.assertTrue(vcc.is_complete())
Пример #4
0
 def test_is_complete(self):
     vcc = VaspChecker(name="done")
     vcs = VaspChecker(name="started")
     self.assertFalse(vcs.is_complete())
     self.assertTrue(vcc.is_complete())