check_minhop_history_equivalence

nebscape_lib_class.check_minhop_history_equivalence(history_group_id=None, run_mode=None, include_rejected=False, minima_threshold=0.5, active_accepted_only=True, accepted_for_pairing_only=False)

Compare recorded MinHop result structures within native history scopes.

Parameters:

  • history_group_id (int, optional) – MinHop history-scope identifier; None includes all scopes. Default: None.

  • run_mode (str or int, optional) – MinHop run mode, "search" or "optimize_only" (or its stored code); None includes both. Default: None.

  • include_rejected (bool, optional) – Include rejected candidates in equivalence comparisons. Default: False.

  • minima_threshold (float, optional) – Minima equivalence distance threshold, in angstrom. Default: 0.5.

  • active_accepted_only (bool, optional) – Restrict accepted comparison partners to active history entries. Default: True.

  • accepted_for_pairing_only (bool, optional) – Keep only accepted-history rows marked eligible for geometry pairing. Default: False.

Returns:

dict – Structured diagnostic report derived from the persisted records. Missing evidence is reported rather than treated as completed work.

Notes

Accepted-history duplicate checks use the native MinHop ComparePositions mode with translate=True. If include_rejected is false, only accepted minima are compared. If true, rejected proposal candidates are included alongside accepted minima.