summaryrefslogtreecommitdiff
path: root/lib/similarity.rb
diff options
context:
space:
mode:
Diffstat (limited to 'lib/similarity.rb')
-rw-r--r--lib/similarity.rb58
1 files changed, 0 insertions, 58 deletions
diff --git a/lib/similarity.rb b/lib/similarity.rb
deleted file mode 100644
index 91e18db..0000000
--- a/lib/similarity.rb
+++ /dev/null
@@ -1,58 +0,0 @@
-=begin
-* Name: similarity.rb
-* Description: Similarity algorithms
-* Author: Andreas Maunz <andreas@maunz.de
-* Date: 10/2012
-=end
-
-module OpenTox
- module Algorithm
-
- class Similarity
-
- #TODO weighted tanimoto
-
- # Tanimoto similarity
- # @param [Array] a fingerprints of first compound
- # @param [Array] b fingerprints of second compound
- # @return [Float] Tanimoto similarity
- def self.tanimoto(a,b)
- bad_request_error "fingerprints #{a} and #{b} don't have equal size" unless a.size == b.size
- #common = 0.0
- #a.each_with_index do |n,i|
- #common += 1 if n == b[i]
- #end
- #common/a.size
- # TODO check if calculation speed can be improved
- common_p_sum = 0.0
- all_p_sum = 0.0
- (0...a.size).each { |idx|
- common_p_sum += [ a[idx], b[idx] ].min
- all_p_sum += [ a[idx], b[idx] ].max
- }
- common_p_sum/all_p_sum
- end
-
-
- # Cosine similarity
- # @param [Array] a fingerprints of first compound
- # @param [Array] b fingerprints of second compound
- # @return [Float] Cosine similarity, the cosine of angle enclosed between vectors a and b
- def self.cosine(a, b)
- val = 0.0
- if a.size>0 and b.size>0
- if a.size>12 && b.size>12
- a = a[0..11]
- b = b[0..11]
- end
- a_vec = a.to_gv
- b_vec = b.to_gv
- val = a_vec.dot(b_vec) / (a_vec.norm * b_vec.norm)
- end
- val
- end
-
- end
-
- end
-end