Revert "Update matchms to 0.22.0"

RECETOX · Sep 13, 2023 · 8785899 · 8785899
1 parent cb3b875
commit 8785899
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Showing 5 changed files with 6 additions and 14 deletions.
diff --git a/tools/matchms/macros.xml b/tools/matchms/macros.xml
@@ -1,5 +1,5 @@
 <macros>
-    <token name="@TOOL_VERSION@">0.22.0</token>
+    <token name="@TOOL_VERSION@">0.20.0</token>
 
     <xml name="creator">
         <creator>

diff --git a/tools/matchms/matchms_similarity.xml b/tools/matchms/matchms_similarity.xml
@@ -178,7 +178,7 @@
                 <param name="model_weights" value="similarity/spec2vec/weights_100.binary" ftype="auto"/>
                 <param name="allow_missing_percentage" value="1.0"/>
             </conditional>
-            <output name="similarity_scores" file="similarity/scores_test6_out.json" ftype="json" compare="sim_size" delta="1000"/>
+            <output name="similarity_scores" file="similarity/scores_test6_out.json" ftype="json" compare="sim_size" delta="100000"/>
         </test>
     </tests>
 

diff --git a/tools/matchms/matchms_spectral_similarity.xml b/tools/matchms/matchms_spectral_similarity.xml
@@ -36,24 +36,16 @@ name="${similarity_metric}_${algorithm.tolerance}_${algorithm.mz_power}_${algori
 
 @init_scores@
 
-#if $scores.use_scores
 layer = similarity.sparse_array(
     references=scores.references,
     queries=scores.queries,
     idx_row = scores._scores.row,
     idx_col = scores._scores.col,
     is_symmetric=False)
+
 scores._scores.add_sparse_data(scores._scores.row, scores._scores.col, layer, name)
-#else
-scores._scores = similarity.matrix(
-    references=scores.references,
-    queries=scores.queries,
-    array_type="sparse",
-    is_symmetric=False)
-scores._scores.data.dtype.names = [name+"_scores", name+"_matches"]
-#end if
 
-scores.filter_by_range(name=name+"_matches", low=0)
+scores.filter_by_range(inplace=True, name=name+"_matches", low=0)
 scores.to_json("$similarity_scores")
 </configfile>
 </configfiles>

diff --git a/tools/matchms/test-data/similarity/scores_test6_out.json b/tools/matchms/test-data/similarity/scores_test6_out.json
diff --git a/tools/matchms/test-data/spectral_similarity/test1.json b/tools/matchms/test-data/spectral_similarity/test1.json