Add material ID query to elasticity

emmet-api/emmet/api/routes/materials/elasticity/query_operators.py

@@ -41,9 +41,9 @@ def query(
         crit = defaultdict(dict)  # type: dict
 
         d = {
-            "elasticity.k_voigt": [k_voigt_min, k_voigt_max],
-            "elasticity.k_reuss": [k_reuss_min, k_reuss_max],
-            "elasticity.k_vrh": [k_vrh_min, k_vrh_max],
+            "bulk_modulus.voigt": [k_voigt_min, k_voigt_max],
+            "bulk_modulus.reuss": [k_reuss_min, k_reuss_max],
+            "bulk_modulus.vrh": [k_vrh_min, k_vrh_max],
         }
 
         for entry in d:
@@ -91,9 +91,9 @@ def query(
         crit = defaultdict(dict)  # type: dict
 
         d = {
-            "elasticity.g_voigt": [g_voigt_min, g_voigt_max],
-            "elasticity.g_reuss": [g_reuss_min, g_reuss_max],
-            "elasticity.g_vrh": [g_vrh_min, g_vrh_max],
+            "shear_modulus.voigt": [g_voigt_min, g_voigt_max],
+            "shear_modulus.reuss": [g_reuss_min, g_reuss_max],
+            "shear_modulus.vrh": [g_vrh_min, g_vrh_max],
         }
 
         for entry in d:
@@ -134,11 +134,11 @@ def query(
         crit = defaultdict(dict)  # type: dict
 
         d = {
-            "elasticity.universal_anisotropy": [
+            "universal_anisotropy": [
                 elastic_anisotropy_min,
                 elastic_anisotropy_max,
             ],
-            "elasticity.homogeneous_poisson": [poisson_min, poisson_max],
+            "homogeneous_poisson": [poisson_min, poisson_max],
         }
 
         for entry in d:

emmet-api/emmet/api/routes/materials/elasticity/resources.py

@@ -1,7 +1,8 @@
 from maggma.api.resource import ReadOnlyResource
-from emmet.core.elasticity_legacy import ElasticityDoc
+from emmet.core.elasticity import ElasticityDoc
 from emmet.api.core.global_header import GlobalHeaderProcessor
 from maggma.api.query_operator import PaginationQuery, SortQuery, SparseFieldsQuery
+from emmet.api.routes.materials.materials.query_operators import MultiMaterialIDQuery
 from emmet.api.routes.materials.elasticity.query_operators import (
     ElasticityChemsysQuery,
     BulkModulusQuery,
@@ -17,6 +18,7 @@ def elasticity_resource(elasticity_store):
         elasticity_store,
         ElasticityDoc,
         query_operators=[
+            MultiMaterialIDQuery(),
             ElasticityChemsysQuery(),
             BulkModulusQuery(),
             ShearModulusQuery(),

emmet-api/tests/materials/elasticity/test_query_operators.py

@@ -21,7 +21,7 @@ def test_bulk_modulus_query():
         k_vrh_max=5,
     )
 
-    fields = ["elasticity.k_voigt", "elasticity.k_reuss", "elasticity.k_vrh"]
+    fields = ["bulk_modulus.voigt", "bulk_modulus.reuss", "bulk_modulus.vrh"]
 
     assert q == {"criteria": {field: {"$gte": 0, "$lte": 5} for field in fields}}
 
@@ -51,7 +51,7 @@ def test_shear_modulus_query():
         g_vrh_max=5,
     )
 
-    fields = ["elasticity.g_voigt", "elasticity.g_reuss", "elasticity.g_vrh"]
+    fields = ["shear_modulus.voigt", "shear_modulus.reuss", "shear_modulus.vrh"]
 
     assert q == {"criteria": {field: {"$gte": 0, "$lte": 5} for field in fields}}
 
@@ -79,7 +79,7 @@ def test_poisson_query():
         poisson_max=5,
     )
 
-    fields = ["elasticity.universal_anisotropy", "elasticity.homogeneous_poisson"]
+    fields = ["universal_anisotropy", "homogeneous_poisson"]
 
     assert q == {"criteria": {field: {"$gte": 0, "$lte": 5} for field in fields}}
 

emmet-builders/emmet/builders/materials/summary.py

@@ -188,9 +188,7 @@ def get_items(self):
                 ),
             }
 
-            sub_fields = {
-                HasProps.elasticity.value: "elasticity",
-            }
+            sub_fields = {}
 
             for collection, sub_field in sub_fields.items():
                 if data[collection] is not None:
@@ -218,7 +216,7 @@ def prechunk(self, number_splits: int):  # pragma: no cover
     def process_item(self, item):
         material_id = MPID(item[HasProps.materials.value]["material_id"])
         doc = SummaryDoc.from_docs(material_id=material_id, **item)
-        return jsanitize(doc.dict(exclude_none=False), allow_bson=True)
+        return jsanitize(doc.model_dump(exclude_none=False), allow_bson=True)
 
     def update_targets(self, items):
         """

emmet-core/emmet/core/summary.py

@@ -309,28 +309,26 @@ class SummaryDoc(PropertyDoc):
 
     # Elasticity
 
-    k_voigt: Optional[float] = Field(
-        None, description="Voigt average of the bulk modulus."
-    )
+    # k_voigt: Optional[float] = Field(None, description="Voigt average of the bulk modulus.")
 
-    k_reuss: Optional[float] = Field(
-        None, description="Reuss average of the bulk modulus in GPa."
-    )
+    # k_reuss: Optional[float] = Field(None, description="Reuss average of the bulk modulus in GPa.")
 
-    k_vrh: Optional[float] = Field(
-        None, description="Voigt-Reuss-Hill average of the bulk modulus in GPa."
-    )
+    # k_vrh: Optional[float] = Field(None, description="Voigt-Reuss-Hill average of the bulk modulus in GPa.")
 
-    g_voigt: Optional[float] = Field(
-        None, description="Voigt average of the shear modulus in GPa."
-    )
+    # g_voigt: Optional[float] = Field(None, description="Voigt average of the shear modulus in GPa.")
 
-    g_reuss: Optional[float] = Field(
-        None, description="Reuss average of the shear modulus in GPa."
+    # g_reuss: Optional[float] = Field(None, description="Reuss average of the shear modulus in GPa.")
+
+    # g_vrh: Optional[float] = Field(None, description="Voigt-Reuss-Hill average of the shear modulus in GPa.")
+
+    bulk_modulus: Optional[dict] = Field(
+        None,
+        description="Voigt, Reuss, and Voigt-Reuss-Hill averages of the bulk modulus in GPa.",
     )
 
-    g_vrh: Optional[float] = Field(
-        None, description="Voigt-Reuss-Hill average of the shear modulus in GPa."
+    shear_modulus: Optional[dict] = Field(
+        None,
+        description="Voigt, Reuss, and Voigt-Reuss-Hill averages of the shear modulus in GPa.",
     )
 
     universal_anisotropy: Optional[float] = Field(
@@ -513,12 +511,8 @@ def from_docs(cls, material_id: MPID, **docs: Dict[str, Dict]):
         "is_magnetic",
     ],
     HasProps.elasticity.value: [
-        "k_voigt",
-        "k_reuss",
-        "k_vrh",
-        "g_voigt",
-        "g_reuss",
-        "g_vrh",
+        "bulk_modulus",
+        "shear_modulus",
         "universal_anisotropy",
         "homogeneous_poisson",
     ],