Add sorting back to summary (#997)

* Add sorting back to summary * Linting
materialsproject · Apr 30, 2024 · 9381cc2 · 9381cc2
1 parent 498a968
commit 9381cc2
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Showing 2 changed files with 46 additions and 2 deletions.
diff --git a/emmet-api/emmet/api/core/settings.py b/emmet-api/emmet/api/core/settings.py
@@ -1,4 +1,4 @@
-from typing import Literal, Optional
+from typing import Literal, Optional, List
 from pydantic import Field
 from emmet.api import __file__ as root_dir
 import os
@@ -24,6 +24,46 @@ class MAPISettings(BaseSettings):
         None, description="Database name suffix. Either blue or green."
     )
 
+    SORT_FIELDS: List[str] = Field(
+        [
+            "nsites",
+            "nelements",
+            "formula_pretty",
+            "formula_anonymous",
+            "chemsys",
+            "volume",
+            "density",
+            "density_atomic",
+            "material_id",
+            "uncorrected_energy_per_atom",
+            "energy_per_atom",
+            "formation_energy_per_atom",
+            "energy_above_hull",
+            "band_gap",
+            "cbm",
+            "vbm",
+            "efermi",
+            "ordering",
+            "total_magnetization",
+            "total_magnetization_normalized_vol",
+            "total_magnetization_normalized_formula_units",
+            "num_magnetic_sites",
+            "num_unique_magnetic_sites",
+            "universal_anistropy",
+            "homogeneous_poisson",
+            "e_total",
+            "e_ionic",
+            "e_electronic",
+            "n",
+            "e_ij_max",
+            "weighted_surface_energy_EV_PER_ANG2",
+            "weighted_surface_energy",
+            "weighted_work_function",
+            "surface_anisotropy",
+            "shape_factor",
+        ],
+        description="List of fields that support sorting",
+    )
     TIMEOUT: int = Field(
         30,
         description="Number of seconds to wait for pymongo operations before raising a timeout error.",

diff --git a/emmet-api/emmet/api/routes/materials/summary/resources.py b/emmet-api/emmet/api/routes/materials/summary/resources.py
@@ -4,6 +4,7 @@
     PaginationQuery,
     SparseFieldsQuery,
     NumericQuery,
+    SortQuery,
 )
 from maggma.api.resource import ReadOnlyResource, AggregationResource
 from emmet.api.routes.materials.materials.query_operators import (
@@ -37,7 +38,9 @@
 from emmet.api.core.global_header import GlobalHeaderProcessor
 from emmet.api.core.settings import MAPISettings
 
-timeout = MAPISettings().TIMEOUT
+settings = MAPISettings()  # type: ignore
+timeout = settings.TIMEOUT
+sort_fields = settings.SORT_FIELDS
 
 
 def summary_resource(summary_store):
@@ -64,6 +67,7 @@ def summary_resource(summary_store):
             PaginationQuery(),
             SparseFieldsQuery(SummaryDoc, default_fields=["material_id"]),
             LicenseQuery(),
+            SortQuery(fields=sort_fields, max_num=1),
         ],
         hint_scheme=SummaryHintScheme(),
         header_processor=GlobalHeaderProcessor(),