cached_query_torsion_drive_results

openff.qcsubmit.results.caching.cached_query_torsion_drive_results(client_address, results)[source]

Returns the QC record and corresponding molecule object associated with each of the specified result entries.

The molecule will contain the minimum energy conformer at each grid id. The grid ids themselves will be stored in molecule.properties["grid_ids"], such that molecule.conformers[i] corresponds to the minimum energy structure at grid id molecule.properties["grid_ids"][i].

Parameters

  • client_address (str) – The address of the running QCFractal instance to retrieve the results from.

  • results (List[TorsionDriveResult]) – The results to retrieve.

Return type

List[Tuple[qcportal.models.torsiondrive.TorsionDriveRecord, openff.toolkit.topology.molecule.Molecule]]