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

from __future__ import annotations

import warnings
from collections import defaultdict

from emmet.core.polar import DielectricDoc

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




class DielectricRester(BaseRester[DielectricDoc]):
    suffix = "materials/dielectric"
    document_model = DielectricDoc  # type: ignore
    primary_key = "material_id"



    def search_dielectric_docs(self, *args, **kwargs):  # pragma: no cover
        """Deprecated."""
        warnings.warn(
            "MPRester.dielectric.search_dielectric_docs is deprecated. Please use MPRester.dielectric.search instead.",
            DeprecationWarning,
            stacklevel=2,
        )

        return self.search(*args, **kwargs)




    def search(
        self,
        material_ids: str | list[str] | None = None,
        e_total: tuple[float, float] | None = None,
        e_ionic: tuple[float, float] | None = None,
        e_electronic: tuple[float, float] | None = None,
        n: tuple[float, float] | None = None,
        num_chunks: int | None = None,
        chunk_size: int = 1000,
        all_fields: bool = True,
        fields: list[str] | None = None,
    ):
        """Query dielectric 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]).
            e_total (Tuple[float,float]): Minimum and maximum total dielectric constant to consider.
            e_ionic (Tuple[float,float]): Minimum and maximum ionic dielectric constant to consider.
            e_electronic (Tuple[float,float]): Minimum and maximum electronic dielectric constant to consider.
            n (Tuple[float,float]): Minimum and maximum refractive index to consider.
            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 DielectricDoc to return data for.
                Default is material_id and last_updated if all_fields is False.

        Returns:
            ([DielectricDoc]) List of dielectric documents.
        """
        query_params = defaultdict(dict)  # type: dict

        if material_ids:
            if isinstance(material_ids, str):
                material_ids = [material_ids]

            query_params.update({"material_ids": ",".join(validate_ids(material_ids))})

        if e_total:
            query_params.update({"e_total_min": e_total[0], "e_total_max": e_total[1]})

        if e_ionic:
            query_params.update({"e_ionic_min": e_ionic[0], "e_ionic_max": e_ionic[1]})

        if e_electronic:
            query_params.update(
                {
                    "e_electronic_min": e_electronic[0],
                    "e_electronic_max": e_electronic[1],
                }
            )

        if n:
            query_params.update({"n_min": n[0], "n_max": n[1]})

        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,
        )