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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
class RobocrysRester(BaseRester[RobocrystallogapherDoc]):
suffix = "materials/robocrys"
document_model = RobocrystallogapherDoc # type: ignore
primary_key = "material_id"
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
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,
)
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