Expand use of list query parameters for endpoint keys (#499)

* Add MPID list query parameters to endpoints

* Add tests + lint

emmet-api/emmet/api/routes/bonds/resources.py

@@ -7,6 +7,7 @@
     BondLengthQuery,
     CoordinationEnvsQuery,
 )
+from emmet.api.routes.materials.query_operators import MultiMaterialIDQuery
 from emmet.api.core.settings import MAPISettings
 from emmet.api.core.global_header import GlobalHeaderProcessor
 
@@ -16,13 +17,12 @@ def bonds_resource(bonds_store):
         bonds_store,
         BondingDoc,
         query_operators=[
+            MultiMaterialIDQuery(),
             BondLengthQuery(),
             CoordinationEnvsQuery(),
             SortQuery(),
             PaginationQuery(),
-            SparseFieldsQuery(
-                BondingDoc, default_fields=["material_id", "last_updated"],
-            ),
+            SparseFieldsQuery(BondingDoc, default_fields=["material_id", "last_updated"],),
         ],
         header_processor=GlobalHeaderProcessor(),
         tags=["Bonds"],

emmet-api/emmet/api/routes/dielectric/resources.py

@@ -3,6 +3,7 @@
 
 from maggma.api.query_operator import PaginationQuery, SortQuery, SparseFieldsQuery
 from emmet.api.routes.dielectric.query_operators import DielectricQuery
+from emmet.api.routes.materials.query_operators import MultiMaterialIDQuery
 from emmet.api.core.global_header import GlobalHeaderProcessor
 from emmet.api.core.settings import MAPISettings
 
@@ -12,12 +13,11 @@ def dielectric_resource(dielectric_store):
         dielectric_store,
         DielectricDoc,
         query_operators=[
+            MultiMaterialIDQuery(),
             DielectricQuery(),
             SortQuery(),
             PaginationQuery(),
-            SparseFieldsQuery(
-                DielectricDoc, default_fields=["material_id", "last_updated"]
-            ),
+            SparseFieldsQuery(DielectricDoc, default_fields=["material_id", "last_updated"]),
         ],
         header_processor=GlobalHeaderProcessor(),
         tags=["Dielectric"],

emmet-api/emmet/api/routes/electrodes/query_operators.py

@@ -79,12 +79,10 @@ class ElectrodeElementsQuery(QueryOperator):
     def query(
         self,
         elements: Optional[str] = Query(
-            None,
-            description="Query by elements in the material composition as a comma-separated list",
+            None, description="Query by elements in the material composition as a comma-separated list",
         ),
         exclude_elements: Optional[str] = Query(
-            None,
-            description="Query by excluded elements in the material composition as a comma-separated list",
+            None, description="Query by excluded elements in the material composition as a comma-separated list",
         ),
     ) -> STORE_PARAMS:
 
@@ -98,24 +96,18 @@ def query(
                 element_list = [Element(e) for e in elements.strip().split(",")]
             except ValueError:
                 raise HTTPException(
-                    status_code=400,
-                    detail="Problem processing one or more provided elements.",
+                    status_code=400, detail="Problem processing one or more provided elements.",
                 )
-            crit["entries_composition_summary.all_elements"]["$all"] = [
-                str(el) for el in element_list
-            ]
+            crit["entries_composition_summary.all_elements"]["$all"] = [str(el) for el in element_list]
 
         if exclude_elements:
             try:
                 element_list = [Element(e) for e in exclude_elements.strip().split(",")]
             except ValueError:
                 raise HTTPException(
-                    status_code=400,
-                    detail="Problem processing one or more provided elements.",
+                    status_code=400, detail="Problem processing one or more provided elements.",
                 )
-            crit["entries_composition_summary.all_elements"]["$nin"] = [
-                str(el) for el in element_list
-            ]
+            crit["entries_composition_summary.all_elements"]["$nin"] = [str(el) for el in element_list]
 
         return {"criteria": crit}
 
@@ -128,36 +120,28 @@ class VoltageStepQuery(QueryOperator):
     def query(
         self,
         delta_volume_max: Optional[float] = Query(
-            None,
-            description="Maximum value for the max volume change in percent for a particular voltage step.",
+            None, description="Maximum value for the max volume change in percent for a particular voltage step.",
         ),
         delta_volume_min: Optional[float] = Query(
-            None,
-            description="Minimum value for the max volume change in percent for a particular voltage step.",
+            None, description="Minimum value for the max volume change in percent for a particular voltage step.",
         ),
         average_voltage_max: Optional[float] = Query(
-            None,
-            description="Maximum value for the average voltage for a particular voltage step in V.",
+            None, description="Maximum value for the average voltage for a particular voltage step in V.",
         ),
         average_voltage_min: Optional[float] = Query(
-            None,
-            description="Minimum value for the average voltage for a particular voltage step in V.",
+            None, description="Minimum value for the average voltage for a particular voltage step in V.",
         ),
         max_voltage_max: Optional[float] = Query(
-            None,
-            description="Maximum value for the maximum voltage for a particular voltage step in V.",
+            None, description="Maximum value for the maximum voltage for a particular voltage step in V.",
         ),
         max_voltage_min: Optional[float] = Query(
-            None,
-            description="Minimum value for the maximum voltage for a particular voltage step in V.",
+            None, description="Minimum value for the maximum voltage for a particular voltage step in V.",
         ),
         min_voltage_max: Optional[float] = Query(
-            None,
-            description="Maximum value for the minimum voltage for a particular voltage step in V.",
+            None, description="Maximum value for the minimum voltage for a particular voltage step in V.",
         ),
         min_voltage_min: Optional[float] = Query(
-            None,
-            description="Minimum value for the minimum voltage for a particular voltage step in V.",
+            None, description="Minimum value for the minimum voltage for a particular voltage step in V.",
         ),
         capacity_grav_max: Optional[float] = Query(
             None, description="Maximum value for the gravimetric capacity in maH/g.",
@@ -172,36 +156,28 @@ def query(
             None, description="Minimum value for the volumetric capacity in maH/cc.",
         ),
         energy_grav_max: Optional[float] = Query(
-            None,
-            description="Maximum value for the gravimetric energy (specific energy) in Wh/kg.",
+            None, description="Maximum value for the gravimetric energy (specific energy) in Wh/kg.",
         ),
         energy_grav_min: Optional[float] = Query(
-            None,
-            description="Minimum value for the gravimetric energy (specific energy) in Wh/kg.",
+            None, description="Minimum value for the gravimetric energy (specific energy) in Wh/kg.",
         ),
         energy_vol_max: Optional[float] = Query(
-            None,
-            description="Maximum value for the volumetric energy (energy_density) in Wh/l.",
+            None, description="Maximum value for the volumetric energy (energy_density) in Wh/l.",
         ),
         energy_vol_min: Optional[float] = Query(
-            None,
-            description="Minimum value for the volumetric energy (energy_density) in Wh/l.",
+            None, description="Minimum value for the volumetric energy (energy_density) in Wh/l.",
         ),
         fracA_charge_max: Optional[float] = Query(
-            None,
-            description="Maximum value for the atomic fraction of the working ion in the charged state.",
+            None, description="Maximum value for the atomic fraction of the working ion in the charged state.",
         ),
         fracA_charge_min: Optional[float] = Query(
-            None,
-            description="Minimum value for the atomic fraction of the working ion in the charged state.",
+            None, description="Minimum value for the atomic fraction of the working ion in the charged state.",
         ),
         fracA_discharge_max: Optional[float] = Query(
-            None,
-            description="Maximum value for the atomic fraction of the working ion in the discharged state.",
+            None, description="Maximum value for the atomic fraction of the working ion in the discharged state.",
         ),
         fracA_discharge_min: Optional[float] = Query(
-            None,
-            description="Minimum value for the atomic fraction of the working ion in the discharged state.",
+            None, description="Minimum value for the atomic fraction of the working ion in the discharged state.",
         ),
     ) -> STORE_PARAMS:
 
@@ -248,20 +224,16 @@ class InsertionVoltageStepQuery(QueryOperator):
     def query(
         self,
         stability_charge_max: Optional[float] = Query(
-            None,
-            description="The maximum value of the energy above hull of the charged material.",
+            None, description="The maximum value of the energy above hull of the charged material.",
         ),
         stability_charge_min: Optional[float] = Query(
-            None,
-            description="The minimum value of the energy above hull of the charged material.",
+            None, description="The minimum value of the energy above hull of the charged material.",
         ),
         stability_discharge_max: Optional[float] = Query(
-            None,
-            description="The maximum value of the energy above hull of the discharged material.",
+            None, description="The maximum value of the energy above hull of the discharged material.",
         ),
         stability_discharge_min: Optional[float] = Query(
-            None,
-            description="The minimum value of the energy above hull of the discharged material.",
+            None, description="The minimum value of the energy above hull of the discharged material.",
         ),
     ) -> STORE_PARAMS:
 
@@ -300,8 +272,7 @@ class WorkingIonQuery(QueryOperator):
     def query(
         self,
         working_ion: Optional[str] = Query(
-            None,
-            title="Element of the working ion, or comma-delimited string list of working ion elements.",
+            None, title="Element of the working ion, or comma-delimited string list of working ion elements.",
         ),
     ) -> STORE_PARAMS:
 
@@ -318,3 +289,45 @@ def query(
 
     def ensure_indexes(self):  # pragma: no cover
         return [("working_ion", False)]
+
+
+class ElectrodeMultiMaterialIDQuery(QueryOperator):
+    """
+    Method to generate a query for different root-level material_id values
+    """
+
+    def query(
+        self,
+        material_ids: Optional[str] = Query(None, description="Comma-separated list of material_id values to query on"),
+    ) -> STORE_PARAMS:
+
+        crit = {}  # type: dict
+
+        if material_ids:
+            crit.update({"material_ids": {"$in": [material_id.strip() for material_id in material_ids.split(",")]}})
+
+        return {"criteria": crit}
+
+
+class MultiBatteryIDQuery(QueryOperator):
+    """
+    Method to generate a query for different root-level battery_id values
+    """
+
+    def query(
+        self,
+        battery_ids: Optional[str] = Query(None, description="Comma-separated list of battery_id values to query on"),
+    ) -> STORE_PARAMS:
+
+        crit = {}  # type: dict
+
+        if battery_ids:
+
+            battery_id_list = [material_id.strip() for material_id in battery_ids.split(",")]
+
+            if len(battery_id_list) == 1:
+                crit.update({"battery_id": battery_id_list[0]})
+            else:
+                crit.update({"battery_id": {"$in": battery_id_list}})
+
+        return {"criteria": crit}

emmet-api/emmet/api/routes/electrodes/resources.py

@@ -9,6 +9,8 @@
     ElectrodeElementsQuery,
     ElectrodesChemsysQuery,
     WorkingIonQuery,
+    ElectrodeMultiMaterialIDQuery,
+    MultiBatteryIDQuery
 )
 
 from emmet.api.core.settings import MAPISettings
@@ -19,6 +21,8 @@ def insertion_electrodes_resource(insertion_electrodes_store):
         insertion_electrodes_store,
         InsertionElectrodeDoc,
         query_operators=[
+            MultiBatteryIDQuery(),
+            ElectrodeMultiMaterialIDQuery(),
             ElectrodeFormulaQuery(),
             ElectrodesChemsysQuery(),
             WorkingIonQuery(),

emmet-api/emmet/api/routes/electronic_structure/resources.py

@@ -8,6 +8,7 @@
     FormulaQuery,
     ChemsysQuery,
     DeprecationQuery,
+    MultiMaterialIDQuery
 )
 
 from emmet.api.routes.electronic_structure.query_operators import (
@@ -28,6 +29,7 @@ def es_resource(es_store):
         es_store,
         ElectronicStructureDoc,
         query_operators=[
+            MultiMaterialIDQuery(),
             ESSummaryDataQuery(),
             FormulaQuery(),
             ChemsysQuery(),

emmet-api/emmet/api/routes/magnetism/resources.py

@@ -3,6 +3,7 @@
 
 from maggma.api.query_operator import PaginationQuery, SortQuery, SparseFieldsQuery
 from emmet.api.routes.magnetism.query_operators import MagneticQuery
+from emmet.api.routes.materials.query_operators import MultiMaterialIDQuery
 from emmet.api.core.global_header import GlobalHeaderProcessor
 from emmet.api.core.settings import MAPISettings
 
@@ -12,17 +13,16 @@ def magnetism_resource(magnetism_store):
         magnetism_store,
         MagnetismDoc,
         query_operators=[
+            MultiMaterialIDQuery(),
             MagneticQuery(),
             SortQuery(),
             PaginationQuery(),
-            SparseFieldsQuery(
-                MagnetismDoc, default_fields=["material_id", "last_updated"]
-            ),
+            SparseFieldsQuery(MagnetismDoc, default_fields=["material_id", "last_updated"]),
         ],
         header_processor=GlobalHeaderProcessor(),
         tags=["Magnetism"],
         disable_validation=True,
-        timeout=MAPISettings().TIMEOUT
+        timeout=MAPISettings().TIMEOUT,
     )
 
     return resource