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Jason MunroJason Munro
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2 parents 02e91e5 + 4d8dba0 commit 9a1ec9f

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Lines changed: 2470 additions & 3296 deletions

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mp_api/client/core/client.py

Lines changed: 340 additions & 197 deletions
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mp_api/client/core/utils.py

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Original file line numberDiff line numberDiff line change
@@ -73,6 +73,7 @@ def api_sanitize(
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model_fields_to_leave = {f[1] for f in fields_tuples if model.__name__ == f[0]}
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for name in model.model_fields:
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field = model.model_fields[name]
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field_json_extra = field.json_schema_extra
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field_type = field.annotation
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if field_type is not None and allow_dict_msonable:
@@ -87,6 +88,7 @@ def api_sanitize(
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new_field = FieldInfo.from_annotated_attribute(
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Optional[field_type], None
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)
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new_field.json_schema_extra = field_json_extra or {}
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model.model_fields[name] = new_field
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model.model_rebuild(force=True)

mp_api/client/mprester.py

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mp_api/client/routes/_user_settings.py

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@@ -89,4 +89,6 @@ def get_user_settings(self, consumer_id, fields): # pragma: no cover
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Raises:
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MPRestError.
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"""
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return self.get_data_by_id(consumer_id, fields)
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return self._query_resource(
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suburl=f"{consumer_id}", fields=fields, num_chunks=1, chunk_size=1
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).get("data")

mp_api/client/routes/materials/__init__.py

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@@ -13,8 +13,7 @@
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ElectronicStructureRester,
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)
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from .eos import EOSRester
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from .fermi import FermiRester
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from .grain_boundary import GrainBoundaryRester
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from .grain_boundaries import GrainBoundaryRester
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from .magnetism import MagnetismRester
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from .oxidation_states import OxidationStatesRester
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from .phonon import PhononRester

mp_api/client/routes/materials/absorption.py

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@@ -24,7 +24,7 @@ def search(
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chunk_size: int = 1000,
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all_fields: bool = True,
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fields: list[str] | None = None,
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) -> list[AbsorptionDoc]:
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) -> list[AbsorptionDoc] | list[dict]:
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"""Query for optical absorption spectra data.
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Arguments:
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fields (List[str]): List of fields in AbsorptionDoc to return data for.
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Returns:
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([AbsorptionDoc]) List of optical absorption documents.
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([AbsorptionDoc], [dict]) List of optical absorption documents or dictionaries.
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"""
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query_params = defaultdict(dict) # type: dict
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mp_api/client/routes/materials/alloys.py

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Original file line numberDiff line numberDiff line change
@@ -21,7 +21,7 @@ def search(
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chunk_size: int = 1000,
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all_fields: bool = True,
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fields: list[str] | None = None,
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) -> list[AlloyPairDoc]:
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) -> list[AlloyPairDoc] | list[dict]:
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"""Query for hypothetical alloys formed between two commensurate
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crystal structures, following the methodology in
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https://doi.org/10.48550/arXiv.2206.10715.
@@ -38,7 +38,7 @@ def search(
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fields (List[str]): List of fields in AlloyPairDoc to return data for.
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Returns:
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([AlloyPairDoc]) List of alloy pair documents.
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([AlloyPairDoc], [dict]) List of alloy pair documents or dictionaries.
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"""
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query_params = defaultdict(dict) # type: dict
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mp_api/client/routes/materials/bonds.py

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@@ -1,6 +1,5 @@
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from __future__ import annotations
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3-
import warnings
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from collections import defaultdict
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from emmet.core.bonds import BondingDoc
@@ -14,16 +13,6 @@ class BondsRester(BaseRester[BondingDoc]):
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document_model = BondingDoc # type: ignore
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primary_key = "material_id"
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def search_bonds_docs(self, *args, **kwargs): # pragma: no cover
18-
"""Deprecated."""
19-
warnings.warn(
20-
"MPRester.bonds.search_bonds_docs is deprecated. Please use MPRester.bonds.search instead.",
21-
DeprecationWarning,
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stacklevel=2,
23-
)
24-
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return self.search(*args, **kwargs)
26-
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def search(
2817
self,
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material_ids: str | list[str] | None = None,
@@ -36,7 +25,7 @@ def search(
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chunk_size: int = 1000,
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all_fields: bool = True,
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fields: list[str] | None = None,
39-
):
28+
) -> list[BondingDoc] | list[dict]:
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"""Query bonding docs using a variety of search criteria.
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Arguments:
@@ -57,7 +46,7 @@ def search(
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Default is material_id and last_updated if all_fields is False.
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Returns:
60-
([BondingDoc]) List of bonding documents.
49+
([BondingDoc], [dict]) List of bonding documents or dictionaries.
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"""
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query_params = defaultdict(dict) # type: dict
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mp_api/client/routes/materials/charge_density.py

Lines changed: 0 additions & 72 deletions
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mp_api/client/routes/materials/chemenv.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -46,7 +46,7 @@ def search(
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chunk_size: int = 1000,
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all_fields: bool = True,
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fields: list[str] | None = None,
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):
49+
) -> list[ChemEnvDoc] | list[dict]:
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"""Query for chemical environment data.
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Arguments:
@@ -73,7 +73,7 @@ def search(
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fields (List[str]): List of fields in ChemEnvDoc to return data for.
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Returns:
76-
([ChemEnvDoc]) List of chemenv documents.
76+
([ChemEnvDoc], [dict]) List of chemenv documents or dictionaries.
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"""
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query_params = defaultdict(dict) # type: dict
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