Remove maggma dependence, add conversion electrode rester

.pre-commit-config.yaml

@@ -1,4 +1,4 @@
-default_stages: [commit]
+default_stages: [pre-commit]
 default_install_hook_types: [pre-commit, commit-msg]
 
 ci:
@@ -37,6 +37,6 @@ repos:
     rev: v2.2.6
     hooks:
       - id: codespell
-        stages: [commit, commit-msg]
+        stages: [pre-commit, commit-msg]
         exclude_types: [json, bib, svg]
         args: [--ignore-words-list, "mater,fwe,te"]

LICENSE

@@ -1,4 +1,4 @@
-maggma Copyright (c) 2017, The Regents of the University of
+Copyright (c) 2017, The Regents of the University of
 California, through Lawrence Berkeley National Laboratory (subject
 to receipt of any required approvals from the U.S. Dept. of Energy).
 All rights reserved.

mp_api/client/core/utils.py

@@ -4,7 +4,7 @@
 from functools import cache
 from typing import Optional, get_args
 
-from maggma.utils import get_flat_models_from_model
+from emmet.core.utils import get_flat_models_from_model
 from monty.json import MSONable
 from pydantic import BaseModel
 from pydantic._internal._utils import lenient_issubclass

mp_api/client/mprester.py

@@ -35,6 +35,7 @@
     BandStructureRester,
     BondsRester,
     ChemenvRester,
+    ConversionElectrodeRester,
     DielectricRester,
     DOIRester,
     DosRester,
@@ -99,6 +100,7 @@ class MPRester:
     robocrys: RobocrysRester
     synthesis: SynthesisRester
     insertion_electrodes: ElectrodeRester
+    conversion_electrodes: ConversionElectrodeRester
     electronic_structure: ElectronicStructureRester
     electronic_structure_bandstructure: BandStructureRester
     electronic_structure_dos: DosRester

mp_api/client/routes/materials/__init__.py

@@ -6,7 +6,7 @@
 from .dielectric import DielectricRester
 from .doi import DOIRester
 from .elasticity import ElasticityRester
-from .electrodes import ElectrodeRester
+from .electrodes import ConversionElectrodeRester, ElectrodeRester
 from .electronic_structure import (
     BandStructureRester,
     DosRester,

mp_api/client/routes/materials/electrodes.py

@@ -1,18 +1,18 @@
 from __future__ import annotations
 
+import warnings
 from collections import defaultdict
 
-from emmet.core.electrode import InsertionElectrodeDoc
+from emmet.core.electrode import ConversionElectrodeDoc, InsertionElectrodeDoc
 from pymatgen.core.periodic_table import Element
 
 from mp_api.client.core import BaseRester
 from mp_api.client.core.utils import validate_ids
 
 
-class ElectrodeRester(BaseRester[InsertionElectrodeDoc]):
-    suffix = "materials/insertion_electrodes"
-    document_model = InsertionElectrodeDoc  # type: ignore
+class BaseElectrodeRester(BaseRester):
     primary_key = "battery_id"
+    _exclude_search_fields: list[str] | None = None
 
     def search(  # pragma: ignore
         self,
@@ -39,7 +39,7 @@ def search(  # pragma: ignore
         chunk_size: int = 1000,
         all_fields: bool = True,
         fields: list[str] | None = None,
-    ) -> list[InsertionElectrodeDoc] | list[dict]:
+    ) -> list[InsertionElectrodeDoc | ConversionElectrodeDoc] | list[dict]:
         """Query using a variety of search criteria.
 
         Arguments:
@@ -77,11 +77,11 @@ def search(  # pragma: ignore
             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 InsertionElectrodeDoc to return data for.
+            fields (List[str]): List of fields in InsertionElectrodeDoc or ConversionElectrodeDoc to return data for.
                 Default is battery_id and last_updated if all_fields is False.
 
         Returns:
-            ([InsertionElectrodeDoc], [dict]) List of insertion electrode documents or dictionaries.
+            ([InsertionElectrodeDoc or ConversionElectrodeDoc], [dict]) List of insertion/conversion electrode documents or dictionaries.
         """
         query_params = defaultdict(dict)  # type: dict
 
@@ -143,10 +143,44 @@ def search(  # pragma: ignore
                 else:
                     query_params.update({param: value})
 
+        excluded_fields = self._exclude_search_fields or []
+        ignored_fields = {
+            entry
+            for entry in excluded_fields
+            if query_params.pop(entry, None) is not None
+        }
+        if ignored_fields:
+            warnings.warn(
+                f"Ignoring fields {', '.join(ignored_fields)} which are not valid options for {self.__class__.__name__}"
+            )
+
         query_params = {
             entry: query_params[entry]
             for entry in query_params
             if query_params[entry] is not None
         }
 
         return super()._search(**query_params)
+
+
+class ElectrodeRester(BaseElectrodeRester):
+    """Search insertion electrode documents."""
+
+    suffix = "materials/insertion_electrodes"
+    document_model = InsertionElectrodeDoc  # type: ignore
+
+
+class ConversionElectrodeRester(BaseElectrodeRester):
+    """Search conversion electrode documents."""
+
+    suffix = "materials/conversion_electrodes"
+    document_model = ConversionElectrodeDoc  # type: ignore
+    # TODO: formula, chemsys, and elements do not appear to work in the API
+    _exclude_search_fields = [
+        "material_ids",
+        "formula",
+        "chemsys",
+        "elements",
+        "stability_charge",
+        "stability_discharge",
+    ]

mp_api/client/routes/materials/materials.py

@@ -13,6 +13,7 @@
     BandStructureRester,
     BondsRester,
     ChemenvRester,
+    ConversionElectrodeRester,
     DielectricRester,
     DosRester,
     ElasticityRester,
@@ -62,6 +63,7 @@ class MaterialsRester(BaseRester[MaterialsDoc]):
         "robocrys",
         "synthesis",
         "insertion_electrodes",
+        "conversion_electrodes",
         "electronic_structure",
         "electronic_structure_bandstructure",
         "electronic_structure_dos",
@@ -92,6 +94,7 @@ class MaterialsRester(BaseRester[MaterialsDoc]):
     robocrys: RobocrysRester
     synthesis: SynthesisRester
     insertion_electrodes: ElectrodeRester
+    conversion_electrodes: ConversionElectrodeRester
     electronic_structure: ElectronicStructureRester
     electronic_structure_bandstructure: BandStructureRester
     electronic_structure_dos: DosRester

mp_api/client/routes/materials/robocrys.py

@@ -32,7 +32,7 @@ def search(
         robocrys_docs = self._query_resource(
             criteria={"keywords": keyword_string, "_limit": chunk_size},
             suburl="text_search",
-            use_document_model=True,
+            use_document_model=self.use_document_model,
             chunk_size=chunk_size,
             num_chunks=num_chunks,
         ).get("data", None)

pyproject.toml

@@ -22,18 +22,17 @@ classifiers = [
 dependencies = [
   "setuptools",
   "msgpack",
-  "maggma>=0.57.1",
   "pymatgen>=2022.3.7,!=2024.2.20",
   "typing-extensions>=3.7.4.1",
   "requests>=2.23.0",
   "monty>=2024.12.10",
-  "emmet-core>=0.84.3rc6",
+  "emmet-core>=0.84.10rc1",
   "smart_open",
 ]
 dynamic = ["version"]
 
 [project.optional-dependencies]
-all = ["emmet-core[all]>=0.69.1", "custodian", "mpcontribs-client", "boto3"]
+all = ["emmet-core[all]>=0.84.10rc1", "custodian", "mpcontribs-client", "boto3"]
 test = [
   "pre-commit",
   "pytest",