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

from __future__ import annotations

import warnings

from emmet.core.synthesis import (
    OperationTypeEnum,
    SynthesisSearchResultModel,
    SynthesisTypeEnum,
)

from mp_api.client.core import BaseRester, MPRestError


[docs] class SynthesisRester(BaseRester[SynthesisSearchResultModel]): suffix = "materials/synthesis" document_model = SynthesisSearchResultModel # type: ignore
[docs] def search_synthesis_text(self, *args, **kwargs): # pragma: no cover """Deprecated.""" warnings.warn( "search_synthesis_text is deprecated. " "Please use search instead.", DeprecationWarning, stacklevel=2, ) return self.search(*args, **kwargs)
[docs] def search( self, keywords: list[str] | None = None, synthesis_type: list[SynthesisTypeEnum] | None = None, target_formula: str | None = None, precursor_formula: str | None = None, operations: list[OperationTypeEnum] | None = None, condition_heating_temperature_min: float | None = None, condition_heating_temperature_max: float | None = None, condition_heating_time_min: float | None = None, condition_heating_time_max: float | None = None, condition_heating_atmosphere: list[str] | None = None, condition_mixing_device: list[str] | None = None, condition_mixing_media: list[str] | None = None, num_chunks: int | None = None, chunk_size: int | None = 10, ): """Search synthesis recipe text. Arguments: keywords (Optional[List[str]]): List of string keywords to search synthesis paragraph text with synthesis_type (Optional[List[SynthesisTypeEnum]]): Type of synthesis to include target_formula (Optional[str]): Chemical formula of the target material precursor_formula (Optional[str]): Chemical formula of the precursor material operations (Optional[List[OperationTypeEnum]]): List of operations that syntheses must have condition_heating_temperature_min (Optional[float]): Minimal heating temperature condition_heating_temperature_max (Optional[float]): Maximal heating temperature condition_heating_time_min (Optional[float]): Minimal heating time condition_heating_time_max (Optional[float]): Maximal heating time condition_heating_atmosphere (Optional[List[str]]): Required heating atmosphere, such as "air", "argon" condition_mixing_device (Optional[List[str]]): Required mixing device, such as "zirconia", "Al2O3". condition_mixing_media (Optional[List[str]]): Required mixing media, such as "alcohol", "water" 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: synthesis_docs ([SynthesisDoc]): List of synthesis documents. """ # Turn None and empty list into None keywords = keywords or None synthesis_type = synthesis_type or None operations = operations or None condition_heating_atmosphere = condition_heating_atmosphere or None condition_mixing_device = condition_mixing_device or None condition_mixing_media = condition_mixing_media or None if keywords: keywords = ",".join([word.strip() for word in keywords]) # type: ignore synthesis_docs = self._query_resource( criteria={ "keywords": keywords, "synthesis_type": synthesis_type, "target_formula": target_formula, "precursor_formula": precursor_formula, "operations": operations, "condition_heating_temperature_min": condition_heating_temperature_min, "condition_heating_temperature_max": condition_heating_temperature_max, "condition_heating_time_min": condition_heating_time_min, "condition_heating_time_max": condition_heating_time_max, "condition_heating_atmosphere": condition_heating_atmosphere, "condition_mixing_device": condition_mixing_device, "condition_mixing_media": condition_mixing_media, "_limit": chunk_size, }, chunk_size=chunk_size, num_chunks=num_chunks, ).get("data", None) if synthesis_docs is None: raise MPRestError("Cannot find any matches.") return synthesis_docs