Exemple #1
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 def test_has_error(self):
     parser = JobParser.from_file(get_jobs_path("error/mdtemp_error.out"))
     self.assertTrue(parser.has_error())
Exemple #2
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 def setUp(self):
     self.parser = MolecularDynamicsParser.from_file(
         get_jobs_path("md/molecule.out"), get_jobs_path("md/molecule.trg"))
Exemple #3
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 def setUp(self):
     self.parser = JobParser.from_file(get_jobs_path("opti/opti.out"))
Exemple #4
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    def test_parse(self):
        results = self.job.parse_results(get_jobs_path("md/molecule.out"),
                                         get_jobs_path("md/molecule.trg"))

        self.assertTrue("frames" in results)
Exemple #5
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 def test_host(self):
     parser = JobParser.from_file(get_jobs_path("slc/coreshell.out"))
     host = parser.get_host()
     self.assertEqual(host, "node1034")
     self.assertIsNone(self.parser.get_host())