Default API key value to None in MPRester (#743)

Jason Munro · web-flow · commit 858409f522b1 · 2023-02-13T16:59:51.000-08:00
* api_key default to None

* Fix default key in base rester

* Update mpcontribs client in reqs

* Fix pytest stripping api_key

* Fix api_key setting in session

* Fix alloy key

* Fix alloys sort fields

* Remove print statements

* Linting
diff --git a/mp_api/client/core/client.py b/mp_api/client/core/client.py
@@ -54,7 +54,7 @@ class BaseRester(Generic[T]):
 
     def __init__(
         self,
-        api_key: Union[str, None] = DEFAULT_API_KEY,
+        api_key: Union[str, None] = None,
         endpoint: str = DEFAULT_ENDPOINT,
         include_user_agent: bool = True,
         session: Optional[requests.Session] = None,
@@ -93,7 +93,7 @@ def __init__(
             headers (dict): Custom headers for localhost connections.
         """
 
-        self.api_key = api_key
+        self.api_key = api_key or DEFAULT_API_KEY
         self.base_endpoint = endpoint
         self.endpoint = endpoint
         self.debug = debug
@@ -845,8 +845,12 @@ def get_data_by_id(
                 from mp_api.client.routes.materials import MaterialsRester
 
                 with MaterialsRester(
-                    api_key=self.api_key, endpoint=self.base_endpoint, use_document_model=False, monty_decode=False,
-                    session=self.session, headers=self.headers
+                    api_key=self.api_key,
+                    endpoint=self.base_endpoint,
+                    use_document_model=False,
+                    monty_decode=False,
+                    session=self.session,
+                    headers=self.headers,
                 ) as mpr:
                     docs = mpr.search(task_ids=[document_id], fields=["material_id"])
 
diff --git a/mp_api/client/mprester.py b/mp_api/client/mprester.py
@@ -79,7 +79,7 @@ class MPRester:
 
     def __init__(
         self,
-        api_key: Optional[str] = DEFAULT_API_KEY,
+        api_key: Optional[str] = None,
         endpoint: str = DEFAULT_ENDPOINT,
         notify_db_version: bool = False,
         include_user_agent: bool = True,
@@ -128,11 +128,11 @@ def __init__(
                 "API are 16 characters."
             )
 
-        self.api_key = api_key
+        self.api_key = api_key or DEFAULT_API_KEY
         self.endpoint = endpoint
         self.headers = headers or {}
         self.session = session or BaseRester._create_session(
-            api_key=api_key, include_user_agent=include_user_agent, headers=self.headers
+            api_key=self.api_key, include_user_agent=include_user_agent, headers=self.headers
         )
         self.use_document_model = use_document_model
         self.monty_decode = monty_decode
diff --git a/mp_api/client/routes/alloys.py b/mp_api/client/routes/alloys.py
@@ -10,7 +10,7 @@ class AlloysRester(BaseRester[AlloyPairDoc]):
 
     suffix = "alloys"
     document_model = AlloyPairDoc  # type: ignore
-    primary_key = "material_id"
+    primary_key = "pair_id"
 
     def search(
         self,
@@ -45,18 +45,17 @@ def search(
 
         query_params = defaultdict(dict)  # type: dict
 
-        query_params = {
-            entry: query_params[entry]
-            for entry in query_params
-            if query_params[entry] is not None
-        }
+        query_params = {entry: query_params[entry] for entry in query_params if query_params[entry] is not None}
 
         if material_ids:
             if isinstance(material_ids, str):
                 material_ids = [material_ids]
 
             query_params.update({"material_ids": ",".join(validate_ids(material_ids))})
 
+        if sort_fields:
+            query_params.update({"_sort_fields": ",".join([s.strip() for s in sort_fields])})
+
         return super()._search(
             formulae=formulae,
             num_chunks=num_chunks,
diff --git a/requirements.txt b/requirements.txt
@@ -5,7 +5,7 @@ pymatgen-analysis-alloys>=0.0.3
 typing-extensions==4.1.1
 requests==2.27.1
 monty==2022.3.12
-mpcontribs-client>=4.2.9
+mpcontribs-client>=5.0.10
 custodian
 boto3
 msgpack
diff --git a/tests/test_client.py b/tests/test_client.py
@@ -29,44 +29,36 @@
 ignore_generic = [
     "_user_settings",
     "_general_store",
-    "tasks",
-    "bonds",
+    # "tasks",
+    # "bonds",
     "xas",
     "elasticity",
     "fermi",
-    "alloys",
-    "summary",
+    # "alloys",
+    # "summary",
 ]  # temp
 
 
 mpr = MPRester()
 
 
-@pytest.mark.skipif(
-    os.environ.get("MP_API_KEY", None) is None, reason="No API key found."
-)
+@pytest.mark.skipif(os.environ.get("MP_API_KEY", None) is None, reason="No API key found.")
 @pytest.mark.parametrize("rester", mpr._all_resters)
 def test_generic_get_methods(rester):
 
     # -- Test generic search and get_data_by_id methods
     name = rester.suffix.replace("/", "_")
     if name not in ignore_generic:
         if name not in key_only_resters:
-            doc = rester._query_resource_data(
-                {"_limit": 1}, fields=[rester.primary_key]
-            )[0]
+            doc = rester._query_resource_data({"_limit": 1}, fields=[rester.primary_key])[0]
             assert isinstance(doc, rester.document_model)
 
             if name not in search_only_resters:
-                doc = rester.get_data_by_id(
-                    doc.dict()[rester.primary_key], fields=[rester.primary_key]
-                )
+                doc = rester.get_data_by_id(doc.dict()[rester.primary_key], fields=[rester.primary_key])
                 assert isinstance(doc, rester.document_model)
 
         elif name not in special_resters:
-            doc = rester.get_data_by_id(
-                key_only_resters[name], fields=[rester.primary_key]
-            )
+            doc = rester.get_data_by_id(key_only_resters[name], fields=[rester.primary_key])
             assert isinstance(doc, rester.document_model)
 
 
diff --git a/tests/test_oxidation_states.py b/tests/test_oxidation_states.py
@@ -80,8 +80,6 @@ def test_client(rester):
                         "num_chunks": 1,
                     }
 
-                print(q)
-
                 doc = search_method(**q)[0].dict()
                 for sub_field in sub_doc_fields:
                     if sub_field in doc:
diff --git a/tests/test_thermo.py b/tests/test_thermo.py
@@ -59,7 +59,6 @@ def test_client(rester):
         # Query API for each numeric and boolean parameter and check if returned
         for entry in param_tuples:
             param = entry[0]
-            print(param)
             if param not in excluded_params:
                 param_type = entry[1].__args__[0]
                 q = None

Original file line number	Diff line number	Diff line change
`@@ -80,8 +80,6 @@ def test_client(rester):`
`80`	`80`	`"num_chunks": 1,`
`81`	`81`	`}`
`82`	`82`
`83`		`- print(q)`
`84`		`-`
`85`	`83`	`doc = search_method(**q)[0].dict()`
`86`	`84`	`for sub_field in sub_doc_fields:`
`87`	`85`	`if sub_field in doc:`