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authorChristoph Helma <helma@in-silico.ch>2021-03-08 17:41:26 +0100
committerChristoph Helma <helma@in-silico.ch>2021-03-08 17:41:26 +0100
commit08e5768e9a446db8ab95152d2e9403a0e635ec63 (patch)
tree6f4486c6bfd84b69febcb9d3a4d9de8fee1b1a26 /lib/similarity.rb
parenta29eb3e38414cd252850c9c4fb356f8b2bef6fb4 (diff)
cdk predictions fixed
Diffstat (limited to 'lib/similarity.rb')
-rw-r--r--lib/similarity.rb19
1 files changed, 11 insertions, 8 deletions
diff --git a/lib/similarity.rb b/lib/similarity.rb
index deeb81f..346a342 100644
--- a/lib/similarity.rb
+++ b/lib/similarity.rb
@@ -1,11 +1,4 @@
-class Similarity
-
- # Get Tanimoto similarity
- # @param [Array<Array<String>>]
- # @return [Float]
- def self.tanimoto fingerprints
- ( fingerprints[0] & fingerprints[1] ).size/( fingerprints[0] | fingerprints[1] ).size.to_f
- end
+class Distance
# Get Euclidean distance
# @param [Array<Array<Float>>]
@@ -14,6 +7,16 @@ class Similarity
sq = variables[0].zip(variables[1]).map{|a,b| (a - b) ** 2}
Math.sqrt(sq.inject(0) {|s,c| s + c})
end
+end
+
+class Similarity
+
+ # Get Tanimoto similarity
+ # @param [Array<Array<String>>]
+ # @return [Float]
+ def self.tanimoto fingerprints
+ ( fingerprints[0] & fingerprints[1] ).size/( fingerprints[0] | fingerprints[1] ).size.to_f
+ end
# Get cosine similarity
# http://stackoverflow.com/questions/1838806/euclidean-distance-vs-pearson-correlation-vs-cosine-similarity