LowestEnergyFilter
- pydantic model openff.qcsubmit.results.filters.LowestEnergyFilter[source]
Filter the results collection and only keep the lowest energy entries.
Notes
This filter will only be applied to basic and optimization datasets. Torsion drive datasets / entries will be skipped.
Show JSON schema
{ "title": "LowestEnergyFilter", "description": "Filter the results collection and only keep the lowest energy entries.\n\nNotes:\n * This filter will only be applied to basic and optimization datasets.\n Torsion drive datasets / entries will be skipped.", "type": "object", "properties": {} }
- apply(result_collection)
Apply this filter to a results collection, returning a new collection containing only the retained entries.
- Parameters
result_collection (openff.qcsubmit.results.filters.T) – The collection to apply the filter to.
- Returns
The collection containing only the retained entries.
- Return type
openff.qcsubmit.results.filters.T