From fa1137da0ed761f37d38b0cdd6002cb07fda99b9 Mon Sep 17 00:00:00 2001
From: gebele <gebele@in-silico.ch>
Date: Tue, 22 May 2018 14:10:56 +0000
Subject: adjusted warnings and endpoint for html and csv

---
 application.rb | 11 ++++-------
 helper.rb      | 15 +++------------
 2 files changed, 7 insertions(+), 19 deletions(-)

diff --git a/application.rb b/application.rb
index 75664de..8223bbe 100644
--- a/application.rb
+++ b/application.rb
@@ -95,17 +95,15 @@ get '/task/?' do
     elsif !prediction[:value] && type == "Regression"
       sorter << {"Prediction" => ""}
       sorter << {"95% Prediction interval" => ""}
-      sorter << {"Warnings" => prediction[:warnings].join("</br>")}
+      sorter << {"Warnings" => prediction[:warnings].last =~ /similar/ ? prediction[:warnings].last : prediction[:warnings].join("</br>")}
     # classification
     elsif prediction[:value] && type == "Classification"
-      sorter << {"Lazar mutagenicity (Salmonella typhimurium)" => ""}
       sorter << {"Prediction" => prediction[:value]}
       sorter << {"Probability" => prediction[:probabilities].collect{|k,v| "#{k}: #{v.signif(3)}"}.join("</br>")}
     elsif !prediction[:value] && type == "Classification"
-      sorter << {"Lazar mutagenicity (Salmonella typhimurium)" => ""}
       sorter << {"Prediction" => ""}
       sorter << {"Probability" => ""}
-      sorter << {"Warnings" => prediction[:warnings].join("</br>")}
+      sorter << {"Warnings" => prediction[:warnings].last =~ /similar/ ? prediction[:warnings].last : prediction[:warnings].join("</br>")}
     end
     sorter.each_with_index do |hash,idx|
       k = hash.keys[0]
@@ -260,9 +258,8 @@ post '/predict/?' do
         # add header for classification
         if type == "Classification"
           av = m.prediction_feature.accept_values
-          header = "ID,Input,Endpoint,Unique SMILES,inTrainingSet,Measurements,Consensus Prediction,Consensus Confidence,"\
-            "Structural alerts for mutagenicity,Lazar Prediction,"\
-            "Lazar predProbability #{av[0]},Lazar predProbability #{av[1]},inApplicabilityDomain,Note\n"
+          header = "ID,Input,Endpoint,Unique SMILES,inTrainingSet,Measurements,"\
+            "Lazar Prediction,Lazar predProbability #{av[0]},Lazar predProbability #{av[1]},inApplicabilityDomain,Note\n"
         end
         # predict compounds
         p = 100.0/@compounds.size
diff --git a/helper.rb b/helper.rb
index c4c6d2b..aa2ae79 100644
--- a/helper.rb
+++ b/helper.rb
@@ -79,11 +79,8 @@ helpers do
           prediction[:probabilities].each{|k,v| output['probabilities'] << v.signif(3)}
         end
 
-        line += "Consensus mutagenicity,#{compound.smiles},"\
+        line += "#{output['model_name']},#{compound.smiles},"\
           "\"#{prediction[:info] ? prediction[:info] : "no"}\",\"#{output['measurements'].join("; ") if prediction[:info]}\","\
-          "#{prediction['Consensus prediction']},"\
-          "#{prediction['Consensus confidence']},"\
-          "#{prediction['Structural alerts for mutagenicity']},"\
           "#{output['prediction_value']},"\
           "#{!prediction[:probabilities].blank? ? output['probabilities'].first : ""},"\
           "#{!prediction[:probabilities].blank? ? output['probabilities'].last : ""},"\
@@ -100,20 +97,14 @@ helpers do
           "from this compound was removed from the training data before the "\
           "prediction to obtain unbiased results."
       end
-      note = "\"#{prediction[:warnings].join(" ")}\""
-
-      output['warnings'] = prediction[:warnings]
-      output['info'] = prediction[:info] if prediction[:info]
+      note = "\"#{prediction[:warnings].last =~ /similar/ ? prediction[:warnings].last : prediction[:warnings].join(" ")}\""
 
       if model.regression?
         line += "#{output['model_name']},#{compound.smiles},#{prediction[:info] ? prediction[:info] : "no"},"\
           "#{prediction[:measurements].collect{|m| m.delog10.signif(3)}.join("; ") if prediction[:info]},,,,,,,"+ [inApp,note].join(",")+"\n"
       else
-        line += "Consensus mutagenicity,#{compound.smiles},"\
+        line += "#{output['model_name']},#{compound.smiles},"\
           "\"#{prediction[:info] ? prediction[:info] : "no"}\",\"#{output['measurements'].join("; ") if prediction[:info]}\","\
-          "#{prediction['Consensus prediction']},"\
-          "#{prediction['Consensus confidence']},"\
-          "#{prediction['Structural alerts for mutagenicity']},"\
           "#{output['prediction_value']},"\
           "#{!prediction[:probabilities].blank? ? output['probabilities'].first : ""},"\
           "#{!prediction[:probabilities].blank? ? output['probabilities'].last : ""},"\
-- 
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