Esempio n. 1
0
 def to_and_from_dict_verify(self, qctask):
     """
     Helper function. This function should be called in each specific test.
     """
     d1 = qctask.to_dict
     qc2 = QcTask.from_dict(d1)
     d2 = qc2.to_dict
     self.assertEqual(d1, d2)
Esempio n. 2
0
 def from_dict(cls, d):
     h = QChemErrorHandler(input_file=d["input_file"],
                           output_file=d["output_file"],
                           ex_backup_list=d["ex_backup_list"],
                           rca_gdm_thresh=d["rca_gdm_thresh"],
                           scf_max_cycles=d["scf_max_cycles"],
                           geom_max_cycles=d["geom_max_cycles"])
     h.outdata = d["outdata"]
     h.qcinp = QcInput.from_dict(d["qcinp"]) if d["qcinp"] else None
     h.error_step_id = d["error_step_id"]
     h.errors = d["errors"]
     h.fix_step = QcTask.from_dict(d["fix_step"]) if d["fix_step"] else None
     return h