Source code for mp_api.client.routes.materials.robocrys

from __future__ import annotations

from emmet.core.robocrys import RobocrystallogapherDoc

from mp_api.client.core import BaseRester, MPRestError
from mp_api.client.core.utils import validate_ids


[docs] class RobocrysRester(BaseRester[RobocrystallogapherDoc]): suffix = "materials/robocrys" document_model = RobocrystallogapherDoc # type: ignore primary_key = "material_id"
[docs] def search( self, keywords: list[str], num_chunks: int | None = None, chunk_size: int | None = 100, ): """Search text generated from Robocrystallographer. Arguments: keywords (List[str]): List of search keywords num_chunks (Optional[int]): Maximum number of chunks of data to yield. None will yield all possible. chunk_size (Optional[int]): Number of data entries per chunk. Returns: robocrys_docs (List[RobocrystallogapherDoc]): List of robocrystallographer documents """ keyword_string = ",".join(keywords) robocrys_docs = self._query_resource( criteria={"keywords": keyword_string, "_limit": chunk_size}, suburl="text_search", use_document_model=True, chunk_size=chunk_size, num_chunks=num_chunks, ).get("data", None) if robocrys_docs is None: raise MPRestError("Cannot find any matches.") return robocrys_docs
[docs] def search_docs( self, material_ids: str | list[str] | None = None, num_chunks: int | None = None, chunk_size: int = 1000, all_fields: bool = True, fields: list[str] | None = None, ) -> list[RobocrystallogapherDoc] | list[dict]: """Query robocrystallographer docs using a variety of search criteria. Arguments: material_ids (str, List[str]): A single Material ID string or list of strings (e.g., mp-149, [mp-149, mp-13]). num_chunks (int): Maximum number of chunks of data to yield. None will yield all possible. chunk_size (int): Number of data entries per chunk. all_fields (bool): Whether to return all fields in the document. Defaults to True. fields (List[str]): List of fields in RobocrystallogapherDoc to return data for. Default is material_id, last_updated, and formula_pretty if all_fields is False. Returns: ([RobocrystallogapherDoc], [dict]) List of robocrystallographer documents or dictionaries. """ query_params = {} # type: dict if material_ids: if isinstance(material_ids, str): material_ids = [material_ids] query_params.update({"material_ids": ",".join(validate_ids(material_ids))}) query_params = { entry: query_params[entry] for entry in query_params if query_params[entry] is not None } return super()._search( num_chunks=num_chunks, chunk_size=chunk_size, all_fields=all_fields, fields=fields, **query_params, )