get_accepted_minhop_structures¶

nebscape_lib_class.get_accepted_minhop_structures(molecule_id=None, molecule_ids=None, reaction_id=None, target_kind=None, target_id=None, parent_structure_id=None, run_mode=None, active_only=True, accepted_for_pairing_only=True, require_intact=False, require_converged=False)¶

Return raw accepted-history structures for hopping audits.

Parameters:

molecule_id (int, optional) – Restrict structures to targets containing this molecule; None applies no molecule filter. Default: None.
molecule_ids (int or str or sequence of int, optional) – Require every listed molecule to occur in the target. Strings accept comma- or space-separated IDs; combined with molecule_id when both are supplied. Default: None.
reaction_id (int, optional) – Reaction identifier; in structure queries, match its associated target context. None leaves the reaction unrestricted. Default: None.
target_kind (str or int, optional) – Target kind: molecule (isolated adsorbate), reaction_side (combined side), or a stored code. None includes all target kinds. Default: None.
target_id (int, optional) – Identifier within the selected target kind; None leaves it unrestricted. Default: None.
parent_structure_id (int, optional) – Input or parent structure identifier; None includes all parents. Default: None.
run_mode (str or int, optional) – MinHop run mode, "search" or "optimize_only" (or its stored code); None includes both. Default: None.
active_only (bool, optional) – Keep only accepted-history rows whose active flag is true. Default: True.
accepted_for_pairing_only (bool, optional) – Filter the recorded search-time pairing flag. This flag is not post-finalization endpoint eligibility. Default: True.
require_intact (bool, optional) – Additionally require the stored MinHop intact flag to be true. Default: False.
require_converged (bool, optional) – Additionally require the stored MinHop convergence flag to be true. Default: False.

Returns:

list of nebscape_structure_class – Structures referenced by matching accepted-history entries; an empty list if no entries match.

Notes

Selection follows the accepted-history table, excluding rejected candidates. By default, inactive or superseded entries and entries whose search-time pairing flag is false are omitted. Raw search flags are not applicable, so requiring intactness/convergence excludes them. Use get_finalized_minhop_structures for the endpoint population available downstream, including preparation seeds.