From 510822b13d48344ffe4e047a4415ebdb218dadc0 Mon Sep 17 00:00:00 2001
From: gebele <gebele@in-silico.ch>
Date: Thu, 24 Mar 2016 19:41:37 +0000
Subject: updated for latest lazar changes; introduced 95% prediction interval

---
 views/neighbors.haml | 31 +++++++++++++++++++++----------
 1 file changed, 21 insertions(+), 10 deletions(-)

(limited to 'views/neighbors.haml')

diff --git a/views/neighbors.haml b/views/neighbors.haml
index 6001605..6011a6d 100644
--- a/views/neighbors.haml
+++ b/views/neighbors.haml
@@ -9,7 +9,17 @@
   #tabs
     %ul.nav.nav-tabs.nav-justified{:id=>"neighborTabs", :role=>"tablist"}
       / each model a tab head ;
+      / hash for predictionFeature
+      - predictionFeature = {}
       - @models.each_with_index do |model,i|
+        / get predictionFeature type
+        - m = Model::Lazar.find model.model_id.to_s
+        - predFeature = Feature.find m.prediction_feature_id.to_s
+        / define feature type (numeric : nominal)
+        - predFeatureType = (predFeature.numeric? ? "numeric" : "nominal")
+        / use prediction feature id for neighbor compound features
+        - predFeatureId = m.prediction_feature_id.to_s
+        - predictionFeature[i] = {"id" => predFeatureId, "type" => predFeatureType}
         %li{:class => ("active" if i == 0)}
           %a{:href => "#results_#{i+1}", :id => "linkTab#{i+1}", data: {toggle:"tab"}}
             = "#{model.endpoint} (#{model.species})"
@@ -29,7 +39,7 @@
                 debug: false,
                 theme: "bootstrap",
                 headerTemplate: '{content} {icon}',
-                widgets: ['zebra', 'columns', 'uitheme', 'stickyHeaders'],
+                widgets: ['columns', 'uitheme', 'stickyHeaders'],
                 widgetOptions: {
                   stickyHeaders_attachTo : '.tab-content',
                   stickyHeaders : '',
@@ -74,19 +84,20 @@
                 - prediction[:neighbors].uniq.each_with_index do |neighbor,count|
                   %tr
                     / Compound
+                    - c = Compound.find(neighbor["_id"])
                     %td{:style =>"vertical-align:middle;padding-left:1em;width:50%;"}
-                      /%a.btn.btn-link{:href => "#details#{j+1}", data: { toggle: "modal", remote: to("/prediction/#{CGI.escape(neighbor[0].to_s)}/details"), :id=>"link#{j+1}#{count}"}}
-                      %p= Compound.find(neighbor[0]).svg
-                      %p= Compound.find(neighbor[0]).smiles
-                    - c = Compound.find(neighbor[0])
-                    //- mw = c.molecular_weight
-                    / Measured Activity
+                      /%a.btn.btn-link{:href => "#details#{j+1}", data: { toggle: "modal", remote: to("/prediction/#{CGI.escape(neighbor["_id"])}/details"), :id=>"link#{j+1}#{count}"}}
+                      %p= c.svg
+                      %p= c.smiles
+                    - mw = c.molecular_weight
+                    / Measured Activity = compound.features
                     %td{:style =>"vertical-align:middle;padding-left:1em;width:20%;white-space:nowrap;"}
-                      = (type == "Regression") ? neighbor[2].collect{|n| weight = c.mmol_to_mg(n); '%.2e' % n + " (#{@models[j].unit})"+"|#{'%.2e' % weight} (mg/kg_bw/day)"}.join("</br>") : neighbor[2].join(", ")
-                    / Similarity
+                      - features = c.features.collect{|k,v| v if k == predictionFeature[j]["id"] }.compact.flatten
+                      = (predictionFeature[j]["type"] == "numeric") ? features.collect{|v| weight = c.mmol_to_mg(v); '%.2e' % v + " (#{@models[j].unit})"+" | #{'%.2e' % weight} (mg/kg_bw/day)"}.join("</br>") : features.join("</br>")
+                    / Similarity = tanimoto
                     %td{:style =>"vertical-align:middle;padding-left:1em;width:20%;"}
                       / TODO differentiate between no neighbors found and compound found in dataset, display neighbors for compounds in dataset?
-                      = neighbor[1] != nil ? neighbor[1].round(2) : "Not enough similar compounds </br>in training dataset."
+                      = neighbor[:tanimoto] != nil ? neighbor[:tanimoto].to_f.round(3) : "Not enough similar compounds </br>in training dataset."
 
           - else
             %span.btn.btn-default.disabled
-- 
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