OpenFF QCSubmit documentation

cached_query_optimization_results

openff.qcsubmit.results.caching.cached_query_optimization_results(client_address, results)

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

The molecule will contain the minimum energy conformer referenced by the record.

Parameters

• client_address (str) – The address of the running QCFractal instance to query.

• results (List[OptimizationResult]) – The result objects to query.

Returns

A list of tuples of the returned records and molecules.

Return type

List[Tuple[qcportal.models.records.OptimizationRecord, openff.toolkit.topology.molecule.Molecule]]