4.14.3. Helper functions¶
-
get_extractors_for_amsjob
(amsjob, extractors='all', task=None, trajectory=False, data_set=None)¶ - amsjob : AMSJob or str
- An AMSjob or a path to the .results folder of an AMSJob
- extractors : str or list of str
- Can be the string ‘common’ or ‘all’, or a list of extractors [‘energy’, ‘forces’, …] that can be called with no additional arguments other than the jobid.
- task : None or str
- If ‘SinglePoint’, then only extractors that make sense for single points (i.e. NO geometry info, NO pes scan info, etc.) will be returned (e.g. energy, forces, stresstensor, charges)
- trajectory : bool
- If True, only return “extractors” (valid keywords to the properties argument of ResultsImporter.add_trajectory_singlepoints() or ResultsImporter.add_pesscan_singlepoints())
- data_set: DataSet
- The data_set. If None, an empty data_set (with no more_extractors) will be used.
Returns: A list of extractors that will return some data when called without arguments on the amsjob’s results.