revise similarity search to reduce to hex and norm

Author: esoteric-ephemera

mp_api/client/routes/materials/similarity.py

@@ -1,17 +1,21 @@
 from __future__ import annotations
 
-import zlib
 from typing import TYPE_CHECKING
 
-import numpy as np
 from emmet.core.mpid import MPID, AlphaID
-from emmet.core.similarity import CrystalNNSimilarity, SimilarityDoc, SimilarityEntry
+from emmet.core.similarity import (
+    CrystalNNSimilarity,
+    SimilarityDoc,
+    SimilarityEntry,
+    _vector_to_hex_and_norm,
+)
 from pymatgen.core import Composition, Structure
 
 from mp_api.client.core import BaseRester, MPRestError
 from mp_api.client.core.utils import validate_ids
 
 if TYPE_CHECKING:
+    import numpy as np
     from emmet.core.similarity import SimilarityScorer
 
 # This limit seems to be associated with MongoDB vector search
@@ -31,10 +35,6 @@ def fingerprint_structure(self, structure: Structure) -> np.ndarray:
             self._fingerprinter = CrystalNNSimilarity()
         return self._fingerprinter._featurize_structure(structure)
 
-    def _get_hex_fingerprint(self, feature_vetor: np.ndarray) -> str:
-        """Convert feature vector fingerprint to compressed hex str."""
-        return zlib.compress(feature_vetor.tobytes()).hex()
-
     def search(
         self,
         material_ids: str | list[str] | None = None,
@@ -126,9 +126,11 @@ def find_similar(
                 "Please specify a positive integer or `None` to return all results."
             )
 
+        vector_hex, vector_norm = _vector_to_hex_and_norm(feature_vector)
         result = self._query_resource(
             criteria={
-                "feature_vector_hex": self._get_hex_fingerprint(feature_vector),
+                "feature_vector_hex": vector_hex,
+                "feature_vector_norm": vector_norm,
                 "_limit": top,
             },
             suburl="match",

pyproject.toml

@@ -25,15 +25,15 @@ dependencies = [
   "typing-extensions>=3.7.4.1",
   "requests>=2.23.0",
   "monty>=2024.12.10",
-  "emmet-core>=0.85.1rc0",
+  "emmet-core>=0.86.2rc1",
   "smart_open",
   "boto3",
   "orjson >= 3.10,<4",
 ]
 dynamic = ["version"]
 
 [project.optional-dependencies]
-all = ["emmet-core[all]>=0.85.1rc0", "custodian", "mpcontribs-client>=5.10"]
+all = ["emmet-core[all]>=0.86.2rc1", "custodian", "mpcontribs-client>=5.10"]
 test = [
   "pre-commit",
   "pytest",

requirements/requirements-ubuntu-latest_py3.11.txt

@@ -24,7 +24,7 @@ contourpy==1.3.3
     # via matplotlib
 cycler==0.12.1
     # via matplotlib
-emmet-core==0.86.2rc0
+emmet-core==0.86.2rc1
     # via mp-api (pyproject.toml)
 fonttools==4.60.1
     # via matplotlib

requirements/requirements-ubuntu-latest_py3.11_extras.txt

@@ -62,7 +62,7 @@ dnspython==2.8.0
     #   pymongo
 docutils==0.21.2
     # via sphinx
-emmet-core[all]==0.86.2rc0
+emmet-core[all]==0.86.2rc1
     # via mp-api (pyproject.toml)
 execnet==2.1.1
     # via pytest-xdist

requirements/requirements-ubuntu-latest_py3.12.txt

@@ -24,7 +24,7 @@ contourpy==1.3.3
     # via matplotlib
 cycler==0.12.1
     # via matplotlib
-emmet-core==0.86.2rc0
+emmet-core==0.86.2rc1
     # via mp-api (pyproject.toml)
 fonttools==4.60.1
     # via matplotlib

requirements/requirements-ubuntu-latest_py3.12_extras.txt

@@ -62,7 +62,7 @@ dnspython==2.8.0
     #   pymongo
 docutils==0.21.2
     # via sphinx
-emmet-core[all]==0.86.2rc0
+emmet-core[all]==0.86.2rc1
     # via mp-api (pyproject.toml)
 execnet==2.1.1
     # via pytest-xdist