various small fixes

2 files changed, 27 insertions, 16 deletions

diff --git a/application.rb b/application.rb
index 13df650..5baec21 100644
--- a/application.rb
+++ b/application.rb
@@ -50,6 +50,8 @@ get '/task/?' do
     smiles = compound.smiles
     task = Task.find(params[:predictions].to_s)
     unless task.predictions[params[:model]].nil?
+      model = Model::Validation.find params[:model].to_s
+      type = (model.regression? ? "Regression" : "Classification")
       if params[:model] == "Cramer"
         prediction = task.predictions[params[:model]]
         html = "<table class=\"table table-bordered single-batch\"><tr>"
@@ -67,20 +69,20 @@ get '/task/?' do
         sorter = []
         if prediction[:info]
           sorter << {"Info" => prediction[:info]}
-          if prediction[:measurements_string].kind_of?(Array)
-            sorter << {"Measured activity" => "#{prediction[:measurements_string].join(";")}</br>#{prediction[:converted_measurements].join(";")}"}
+          if prediction["measurements_string"].kind_of?(Array)
+            sorter << {"Measured activity" => "#{prediction["measurements_string"].join(";")}</br>#{prediction["converted_measurements"].join(";")}"}
           else
-            sorter << {"Measured activity" => "#{prediction[:measurements_string]}</br>#{prediction[:converted_measurements]}"}
+            sorter << {"Measured activity" => "#{prediction["measurements_string"]}</br>#{prediction["converted_measurements"]}"}
           end
         end
 
         # regression
-        if prediction[:prediction_interval]
-          sorter << {"Prediction" => "#{prediction[:prediction_value]}</br>#{prediction[:converted_prediction_value]}"}
-          sorter << {"95% Prediction interval" => "#{prediction[:interval]}</br>#{prediction[:converted_interval]}"}
+        if prediction[:value] && type == "Regression"
+          sorter << {"Prediction" => "#{prediction["prediction_value"]}</br>#{prediction["converted_prediction_value"]}"}
+          sorter << {"95% Prediction interval" => "#{prediction[:interval]}</br>#{prediction["converted_interval"]}"}
           sorter << {"Warnings" => prediction[:warnings].join("</br>")}
         # classification
-        elsif prediction[:probabilities]
+        elsif prediction[:value] && type == "Classification"
           sorter << {"Consensus prediction" => prediction["Consensus prediction"]}
           sorter << {"Consensus confidence" => prediction["Consensus confidence"]}
           sorter << {"Structural alerts for mutagenicity" => prediction["Structural alerts for mutagenicity"]}
diff --git a/views/prediction.haml b/views/prediction.haml
index 872ee1e..4660112 100644
--- a/views/prediction.haml
+++ b/views/prediction.haml
@@ -63,7 +63,8 @@
                   =hash[:matches].blank? ? "none" : hash[:matches].join("; ")
                 / check for prediction
                 %p
-                - if prediction[:neighbors] and !prediction[:value].nil?
+                / regression
+                - if prediction[:value]
                   %b.title= ("Lazar #{@models[i].endpoint.gsub('_', ' ').downcase} (#{@models[i].species}):" if sa_prediction)
                   %p
                   / check for database hit
@@ -118,16 +119,24 @@
                       =prediction[:warnings].join("</br>")
 
                 - else
-                  %p
                   - if !prediction[:info].blank?
-                    :plain
-                      This compound was part of the training dataset. <i>All</i> information </br>
-                      from this compound was removed from the training data before the </br>
-                      prediction, to obtain unbiased results.
+                    %p
+                      :plain
+                        This compound was part of the training dataset. <i>All</i> information </br>
+                        from this compound was removed from the training data before the </br>
+                        prediction, to obtain unbiased results.
+                    %p
+                      %b Measured activity:
+                      %br
+                      - if prediction[:measurements].is_a?(Array)
+                        = (type == "Regression") ? prediction[:measurements].collect{|value| "#{value.delog10.signif(3)} (#{unit})</br>#{@compound.mmol_to_mg(value.delog10).signif(3)} #{unit =~ /mmol\/L/ ? "(mg/L)" : "(mg/kg_bw/day)"}"}.join("</br>") : prediction[:measurements].join(", ")
+                      - else
+                        = (type == "Regression") ? "#{prediction[:measurements].delog10.signif(3)} (#{unit})</br>#{@compound.mmol_to_mg(prediction[:measurements].delog10).signif(3)} #{(unit =~ /\b(mmol\/L)\b/) ? "(mg/L)" : "(mg/kg_bw/day)"}" : prediction[:measurements]
                   - if !prediction[:warnings].blank?
-                    %b Warnings:
-                    %br
-                    =prediction[:warnings].join("</br>")
+                    %p
+                      %b Warnings:
+                      %br
+                      =prediction[:warnings].join("</br>")
 
           / show Cramer rules if checked
           - if @toxtree == true