ElementFilter
- pydantic model openff.qcsubmit.results.filters.ElementFilter[source]
A filter which will only retain records that contain the requested elements.
Show JSON schema
{ "title": "ElementFilter", "description": "A filter which will only retain records that contain the requested elements.", "type": "object", "properties": { "allowed_elements": { "title": "Allowed Elements", "description": "The list of allowed elements as symbols or atomic number ints.", "type": "array", "items": { "anyOf": [ { "type": "integer" }, { "type": "string" } ] } } }, "required": [ "allowed_elements" ] }
- Fields
- Validators
check_allowed_elements
»allowed_elements
- field allowed_elements: List[Union[int, str]] [Required]
The list of allowed elements as symbols or atomic number ints.
- Validated by
check_allowed_elements
- 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