New electronic_structure endpoint

app.py

@@ -44,6 +44,8 @@
 molecules_store_json = os.environ.get("MOLECULES_STORE", "molecules_store.json")
 search_store_json = os.environ.get("SEARCH_STORE", "search_store.json")
 
+es_store_json = os.environ.get("ES_STORE", "es_store.json")
+
 bs_store_json = os.environ.get("BS_STORE", "bs_store.json")
 dos_store_json = os.environ.get("DOS_STORE", "dos_store.json")
 
@@ -227,6 +229,13 @@
         collection_name="search",
     )
 
+    es_store = MongoURIStore(
+        uri=f"mongodb+srv://{db_uri}",
+        database="mp_core",
+        key="material_id",
+        collection_name="electronic_structure",
+    )
+
     bs_store = MongoURIStore(
         uri=f"mongodb+srv://{db_uri}",
         database="mp_core",
@@ -315,6 +324,8 @@
     molecules_store = loadfn(molecules_store_json)
     search_store = loadfn(search_store_json)
 
+    es_store = loadfn(es_store_json)
+
     bs_store = loadfn(bs_store_json)
     dos_store = loadfn(dos_store_json)
     s3_bs_index = loadfn(s3_bs_index_json)
@@ -458,15 +469,10 @@
 
 resources.update({"search": search_resource(search_store)})
 
-# Band Structure
-from mp_api.routes.bandstructure.resources import bs_resource
-
-resources.update({"bs": bs_resource(bs_store, s3_bs)})
-
-# DOS
-from mp_api.routes.dos.resources import dos_resource
+# Electronic Structure
+from mp_api.routes.electronic_structure.resources import es_resource
 
-resources.update({"dos": dos_resource(dos_store, s3_dos)})
+resources.update({"electronic_structure": es_resource(es_store)})
 
 # MPComplete
 from mp_api.routes.mpcomplete.resources import mpcomplete_resource

src/mp_api/routes/electronic_structure/resources.py

@@ -0,0 +1,35 @@
+from mp_api.core.resource import GetResource
+from emmet.core.electronic_structure import ElectronicStructureDoc
+
+from fastapi.param_functions import Query
+
+from mp_api.core.query_operator import PaginationQuery, SortQuery, SparseFieldsQuery
+from mp_api.routes.materials.query_operators import (
+    ElementsQuery,
+    FormulaQuery,
+    MinMaxQuery,
+)
+from mp_api.routes.dos.query_operators import DOSDataQuery
+
+from mp_api.core.utils import STORE_PARAMS
+from fastapi import HTTPException, Depends
+
+
+def es_resource(es_store):
+    resource = GetResource(
+        es_store,
+        ElectronicStructureDoc,
+        query_operators=[
+            FormulaQuery(),
+            ElementsQuery(),
+            MinMaxQuery(),
+            SortQuery(),
+            PaginationQuery(),
+            SparseFieldsQuery(
+                ElectronicStructureDoc, default_fields=["material_id", "last_updated"]
+            ),
+        ],
+        tags=["Electronic Structure"],
+    )
+
+    return resource