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Revert "Update matchms to 0.22.0" #399

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2 changes: 1 addition & 1 deletion tools/matchms/macros.xml
Original file line number Diff line number Diff line change
@@ -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>
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2 changes: 1 addition & 1 deletion tools/matchms/matchms_similarity.xml
Original file line number Diff line number Diff line change
Expand Up @@ -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>

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12 changes: 2 additions & 10 deletions tools/matchms/matchms_spectral_similarity.xml
Original file line number Diff line number Diff line change
Expand Up @@ -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>
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2 changes: 1 addition & 1 deletion tools/matchms/test-data/similarity/scores_test6_out.json

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2 changes: 1 addition & 1 deletion tools/matchms/test-data/spectral_similarity/test1.json

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