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

allowed_elements (List[Union[int, str]])

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