diff options
Diffstat (limited to 'lib/similarity.rb')
| -rw-r--r-- | lib/similarity.rb | 21 |
1 files changed, 13 insertions, 8 deletions
diff --git a/lib/similarity.rb b/lib/similarity.rb index 78783d5..934c4b0 100644 --- a/lib/similarity.rb +++ b/lib/similarity.rb @@ -10,22 +10,27 @@ module OpenTox 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) - #a = fingerprints.first - #b = fingerprints.last + 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 is correct common_p_sum = 0.0 all_p_sum = 0.0 - size = [ a.size, b.size ].min - $logger.warn "fingerprints don't have equal size" if a.size != b.size - (0...size).each { |idx| - common_p_sum += [ a[idx].to_f, b[idx].to_f ].min - all_p_sum += [ a[idx].to_f, b[idx].to_f ].max + (0...a.size).each { |idx| + common_p_sum += [ a[idx], b[idx] ].min + all_p_sum += [ a[idx], b[idx] ].max } - (all_p_sum > 0.0) ? (common_p_sum/all_p_sum) : 0.0 + common_p_sum/all_p_sum end |