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