Charge density, client, and MPRester updates (#302)

* Formula query added to thermo endpoint

* Major client updates

* MPRester materials and thermo funcs update

* Pymatgen verion bump

* Remove last mentions of version

* Charge density endpoint bug fix

* Fix materials_id change lookup in core client

* Charge density endpoint changes

* General client improvements

* Linting

app.py

@@ -273,7 +273,7 @@
     s3_chgcar_index = MongoURIStore(
         uri=f"mongodb+srv://{db_uri}",
         database="mp_core",
-        key="task_id",
+        key="fs_id",
         collection_name="atomate_chgcar_fs_index",
     )
 
@@ -282,7 +282,7 @@
         bucket="mp-volumetric",
         sub_dir="atomate_chgcar_fs/",
         compress=True,
-        key="task_id",
+        key="fs_id",
         searchable_fields=["task_id", "fs_id"],
     )
 

requirements.txt

@@ -1,5 +1,5 @@
 pydantic==1.8.2
-pymatgen==2022.0.8
+pymatgen==2022.0.9
 typing-extensions==3.10.0.0
 maggma==0.29.2
 requests==2.25.1

src/mp_api/core/api.py

@@ -1,7 +1,7 @@
 from typing import Dict, List
 from maggma.api.resource.core import Resource
 from pymatgen.core import __version__ as pmg_version  # type: ignore
-from mp_api import __version__ as api_version
+from mp_api.core.settings import MAPISettings
 from fastapi.openapi.utils import get_openapi
 from maggma.api.API import API
 
@@ -17,14 +17,10 @@ def __init__(
         title="Materials Project API",
         version="v3.0-dev",
         debug=False,
-        heartbeat_meta={"pymatgen": pmg_version},
+        heartbeat_meta={"pymatgen": pmg_version, "db_version": MAPISettings().db_version},
     ):
         super().__init__(
-            resources=resources,
-            title=title,
-            version=version,
-            debug=debug,
-            heartbeat_meta=heartbeat_meta,
+            resources=resources, title=title, version=version, debug=debug, heartbeat_meta=heartbeat_meta,
         )
 
     @property
@@ -35,9 +31,7 @@ def app(self):
         app = super().app
 
         def custom_openapi():
-            openapi_schema = get_openapi(
-                title=self.title, version=self.version, routes=app.routes
-            )
+            openapi_schema = get_openapi(title=self.title, version=self.version, routes=app.routes)
 
             openapi_schema["components"]["securitySchemes"] = {
                 "ApiKeyAuth": {