BasicResult
- pydantic model openff.qcsubmit.results.BasicResult[source]
A class which stores a reference to, and allows the retrieval of, data from a single result record stored in a QCFractal instance.
Show JSON schema
{ "title": "BasicResult", "description": "A class which stores a reference to, and allows the retrieval of, data from\na single result record stored in a QCFractal instance.", "type": "object", "properties": { "type": { "title": "Type", "default": "basic", "enum": [ "basic" ], "type": "string" }, "record_id": { "title": "Record Id", "description": "The unique id assigned to the record referenced by this result.", "type": "string" }, "cmiles": { "title": "Cmiles", "description": "The canonical, isomeric, explicit hydrogen, mapped SMILES representation of the molecule that this record was created for.", "type": "string" }, "inchi_key": { "title": "Inchi Key", "description": "The fixed hydrogen layer InChI key generated from the ``cmiles`` representation. This may be used as a hash for the molecule referenced by this record.", "type": "string" } }, "required": [ "record_id", "cmiles", "inchi_key" ] }
- Fields
type (Literal['basic'])