From 06fc914653face2c58fd4e6c47161cb03e217582 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Sun, 8 May 2016 12:22:58 +0200 Subject: default validations fixed --- lib/compound.rb | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) (limited to 'lib/compound.rb') diff --git a/lib/compound.rb b/lib/compound.rb index c2ce5d0..3af6f6c 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -288,7 +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 - neighbors << {"_id" => compound.id, "toxicities" => {prediction_feature.id.to_s => compound.toxicities[prediction_feature.id.to_s]}, "tanimoto" => sim} if sim >= params[:min_sim] + neighbors << {"_id" => compound.id, "toxicities" => {prediction_feature.id.to_s => {training_dataset_id.to_s => compound.toxicities[prediction_feature.id.to_s][training_dataset_id.to_s]}}, "tanimoto" => sim} if sim >= params[:min_sim] end neighbors.sort!{|a,b| b["tanimoto"] <=> a["tanimoto"]} end -- cgit v1.2.3