consistend unit display;fixed type definition for neighbors;added neighbors view also if database hit

3 files changed, 25 insertions, 14 deletions

diff --git a/views/model_details.haml b/views/model_details.haml
index f539a70..e5886e7 100644
--- a/views/model_details.haml
+++ b/views/model_details.haml
@@ -18,7 +18,7 @@ Source:
 = training_dataset.compounds.size
 
 %p
-%b Validation (repeated):
+%b Crossvalidation (3 independent):
 %div.row{:id=>"validations#{model.id}", :style=>"background-color:#f5f5f5;"}
   - model.crossvalidations.each do |crossvalidation|
     %span.col-xs-4.col-sm-4.col-md-4.col-lg-4
@@ -96,6 +96,11 @@ Source:
               %td
                 -#= "Confusion Matrix:\t"
                 -#= cv.confusion_matrix
+        %br
+        -#%p
+          = "Confidence plot:"
+        -#%p{:id=>"confp#{cv.id}", :style=>"transform:scale(0.5);margin-left:-30%;margin-top:-30%;padding:0;"}
+          = cv.confidence_plot
       - if model.regression?
         %br
         = "Root mean squared error:\t"
@@ -112,10 +117,12 @@ Source:
         %br 
         = "R square:\t"
         = cv.r_squared.round(3) if cv.r_squared
-        /%br
-        /= "Correlation plot"
-        /= cv.correlation_plot
-        /%br
-        /= "Confidence plot:"
-        /= cv.confidence_plot
+        -#%p
+          = "Correlation plot"
+        -#%p{:id=>"corrp#{cv.id}", :style=>"transform:scale(0.5);margin-left:-30%;margin-top:-30%;margin-bottom:0;padding:0;"}
+          =cv.correlation_plot
+        -#%p
+          = "Confidence plot:"
+        -#%p{:id=>"confp#{cv.id}", :style=>"transform:scale(0.5);margin-left:-30%;margin-top:-30%;margin-bottom:0;padding:0;"}
+          = cv.confidence_plot
 %br
diff --git a/views/neighbors.haml b/views/neighbors.haml
index bdc7f65..e94c57a 100644
--- a/views/neighbors.haml
+++ b/views/neighbors.haml
@@ -10,7 +10,6 @@
     %ul.nav.nav-tabs.nav-justified{:id=>"neighborTabs", :role=>"tablist"}
       / each model a tab head ;
       - @models.each_with_index do |model,i|
-        - @type = model.model.class.to_s.match("Classification") ? "Classification" : "Regression"
         %li{:class => ("active" if i == 0)}
           %a{:href => "#results_#{i+1}", :id => "linkTab#{i+1}", data: {toggle:"tab"}}
             = "#{model.endpoint} (#{model.species})"
@@ -37,7 +36,6 @@
               });
             });
           - if prediction[:neighbors].size > 0
-                
             %div.table-responsive
               %table.tablesorter{:id=>"#{j+1}", :style=>"border-style: solid;"}
                 %thead
@@ -59,6 +57,7 @@
                       / %a.btn.glyphicon.glyphicon-info-sign{:href=>"#neighbors", :title=>"Similarity", data: {toggle:"popover", placement:"auto", html:"true", content:"LAZAR calculates activity specific similarities based on the presence of statistically significant fragments. This procedure will <ul><li>consider only those parts of a chemical structure that are relevant for a particular endpoint</li><li>ignore inert parts of the structure</li><li>lead to different similarities, depending on the toxic endpoint Similarities of 1 may be encountered even for structurally dissimilar compounds, because inert parts are ignored.</li></ul>"}, :style=>"z-index:auto+10;"}
                     / %td
                 %tbody
+                  - type = @model_types[j]
                 - prediction[:neighbors].each_with_index do |neighbor,count|
                   %tr
                     / Compound
@@ -68,11 +67,11 @@
                       %p= Compound.find(neighbor[0]).smiles
                     / Measured Activity
                     %td{:style =>"vertical-align:middle;padding-left:1em;width:20%;"}
-                      = (@type == "Regression") ? neighbor[2].collect{|n| '%.2e' % n}.join(", ") : neighbor[2].join(", ")
+                      = (type == "Regression") ? neighbor[2].collect{|n| '%.2e' % n}.join(", ") : neighbor[2].join(", ")
                     / Similarity
                     %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[1] != nil ? neighbor[1].round(2) : "Not enough similar compounds </br>in training dataset."
 
           - else
             %span.btn.btn-default.disabled
diff --git a/views/prediction.haml b/views/prediction.haml
index 191ff15..ef0c5db 100644
--- a/views/prediction.haml
+++ b/views/prediction.haml
@@ -18,17 +18,21 @@
           %td{:id=>"compound", :style=>"vertical-align:top;"}
             %p= @compound.svg
             %p= @compound.smiles
+          - @model_types = {}
+          - @dbhit = {}
           - @predictions.each_with_index do |prediction,i|
             - type = @models[i].model.class.to_s.match("Classification") ? "Classification" : "Regression"
+            - @model_types[i] = type
             %td{:style=>"vertical-align:top;white-space:nowrap;"}
               %b{:class => "title"}
                 = "#{@models[i].endpoint.gsub('_', ' ')} (#{@models[i].species})"
               %p
               - if prediction[:confidence] == "measured"
+                - @dbhit[i] = true
                 %p
                 / TODO fix scientific notation from database
                 %b Measured activity:
-                = (type == "Regression") ? "#{prediction[:value].round(2)} (#{@models[i].unit})" : prediction[:value]
+                = (type == "Regression") ? "#{"%.2e" % prediction[:value]} (#{@models[i].unit})" : prediction[:value]
                 %p Compound is part of the training dataset
               - elsif prediction[:neighbors].size > 0
                 %p
@@ -38,7 +42,7 @@
                 %br
                 %b Prediction:
                 / TODO scientific notation
-                = (type == "Regression") ? "#{'%.2e' % prediction[:value]} #{@models[i].unit}" : prediction[:value]
+                = (type == "Regression") ? "#{'%.2e' % prediction[:value]} (#{@models[i].unit})" : prediction[:value]
                 / TODO update description
                 / %a.btn.glyphicon.glyphicon-info-sign{:href=>"#", :title=>"Prediction", data: {toggle:"popover", placement:"left", html:"true", content:"LAZAR calculates searches the training dataset for similar compounds (neighbors) and calculates the prediction from their measured activities. LAZAR calculates predictions using <ul><li>a majority vote (weighted by compound similarity) for<br /><b>classification</b> (<a href='http://www.frontiersin.org/Journal/10.3389/fphar.2013.00038/abstract', target='_blank'>original publication</a>) </li><li>a local QSAR model based on neighbors for<br /><b>regression</b> (<a href='http://www.frontiersin.org/Journal/10.3389/fphar.2013.00038/abstract', target='_blank'</h>original publication</a>) </li></ul>Please keep in mind that predictions are based on the measured activities of neighbors."}}
                 %br
@@ -57,9 +61,10 @@
                 / %p
                 %p
               - else
+                - @dbhit[i] = false
                 %p
                   = "Not enough similar compounds </br>in training dataset."
 
   / always show the neighbors table, message is given there  
-  = haml :neighbors, :layout => false, :model_type => @model_type
+  = haml :neighbors, :layout => false, :model_type => @model_types, :dbhit => @dbhit