From 8aab046eb1ad39aaf10c5a8596102c35c7b2ee0b Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Fri, 15 Apr 2016 11:01:16 +0200 Subject: data_entries removed from datasets. datasets are now just containers for compounds and features, feature values have to be retrieved from substances. --- lib/compound.rb | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) (limited to 'lib/compound.rb') diff --git a/lib/compound.rb b/lib/compound.rb index 55cd482..049d77b 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -288,8 +288,7 @@ module OpenTox training_dataset.compounds.each do |compound| candidate_fingerprint = compound.fingerprint params[:type] sim = (query_fingerprint & candidate_fingerprint).size/(query_fingerprint | candidate_fingerprint).size.to_f - feature_values = training_dataset.values(compound,prediction_feature) - neighbors << {"_id" => compound.id, "toxicities" => {prediction_feature.id.to_s => feature_values}, "tanimoto" => sim} if sim >= params[:min_sim] + neighbors << {"_id" => compound.id, "toxicities" => {prediction_feature.id.to_s => compound.toxicities[prediction_feature.id.to_s]}, "tanimoto" => sim} if sim >= params[:min_sim] end neighbors.sort!{|a,b| b["tanimoto"] <=> a["tanimoto"]} end -- cgit v1.2.3