select list core; sorted pcp

3 files changed, 34 insertions, 27 deletions

diff --git a/application.rb b/application.rb
index 3ffc080..86fdb1f 100644
--- a/application.rb
+++ b/application.rb
@@ -12,7 +12,10 @@ end
 get '/?' do
   redirect to('/predict') 
 end
-
+=begin
+get '/qsar-report/:id' do
+end
+=end
 get '/predict/?' do
   @prediction_models = []
   prediction_models = OpenTox::Model::NanoPrediction.all
@@ -57,7 +60,9 @@ post '/predict/?' do
     # unchanged input = database hit
     nanoparticle = OpenTox::Nanoparticle.find_by(:id => params[:example_id])
     nanoparticle.physchem_descriptors = input_pc
-    @match = true,@nanoparticle = nanoparticle,@name = nanoparticle.name
+    @match = true
+    @nanoparticle = nanoparticle
+    @name = nanoparticle.name
   else
     # changed input = create nanoparticle to predict
     nanoparticle = OpenTox::Nanoparticle.new
@@ -65,6 +70,7 @@ post '/predict/?' do
     nanoparticle.coating = input_coating
     nanoparticle.physchem_descriptors = input_pc
     @match = false
+    @nanoparticle = nanoparticle
   end
   # output
   @input = input_pc
diff --git a/views/predict.haml b/views/predict.haml
index ad263d1..81383b1 100644
--- a/views/predict.haml
+++ b/views/predict.haml
@@ -64,9 +64,9 @@
                 = "R square:\t"
                 = cv.r_squared.round(3) if cv.r_squared
           %br
-          %b QSAR report
-          %br
-          %a{:href=>to('/qsar-report/'+m.id)} download
+          //%b QSAR report
+          //%br
+          //%a{:href=>to('/qsar-report/'+m.id)} download
           %hr
           %form{:id=>idx, :role=>"form", :action=> to("/predict"), :method=>"post"}
             %h3.help-block
@@ -83,15 +83,18 @@
               %input{:id=>"size",:type=>"hidden",:name=>"size",:value=>size}
               %input{:id=>"id",:type=>"hidden",:name=>"example_id",:value=>example.id}
               // input form parameters to transfer
-              %h5 Core
-              %input.input-sm.form-control{:id=>"core",:type=>"text",:name=>"input_core",:value=>example.core["name"]}
+              %div.form-group
+                %label{:for=>"selCore#{idx}"} Core
+                %select.form-control{:id=>"selCore#{idx}", :name=>"input_core",:value=>example.core["name"]}
+                  %option{:selected => ("selected" if example.core["name"] == "Ag")} Ag
+                  %option{:selected => ("selected" if example.core["name"] == "Au")} Au
               %input{:id=>"input_core",:type=>"hidden",:name=>"in_core",:value=>"#{example.core}"}
               %h5 Coating
               %input.input-sm.form-control{:id=>"coating",:type=>"text",:name=>"input_coating",:value=>example.coating[0]["name"]}
               %input{:id=>"input_coating",:type=>"hidden",:name=>"in_coating",:value=>example.coating}
               // prediction model id 
               %input{:id=>"prediction_model",:type=>"hidden",:name=>"prediction_model",:value=>m.id}
-            - example.physchem_descriptors.each_with_index do |v,id|
+            - example.physchem_descriptors.sort_by{|d| OpenTox::Feature.find(d[0]).category}.each_with_index do |v,id|
               - feature = OpenTox::Feature.find_by(:id => v[0])
               - name = feature.name
               - if feature[:conditions] && !feature[:conditions]["MEDIUM"].blank?
diff --git a/views/prediction.haml b/views/prediction.haml
index 0438f1f..3913b3e 100644
--- a/views/prediction.haml
+++ b/views/prediction.haml
@@ -38,7 +38,7 @@
             Toxicity 
             %br 
             Net cell association [mL/ug(Mg)]
-          - @input.each do |key|
+          - @input.sort_by{|d| OpenTox::Feature.find(d[0]).category}.each do |key|
             - feature = OpenTox::Feature.find_by(:id=>key[0])
             - name = feature.name
             - if (feature[:conditions] && !feature[:conditions]["MEDIUM"].blank?)
@@ -73,7 +73,12 @@
               = @nanoparticle[:coating][0]["name"]
               %br
             - else
-              %h5.th5 x
+              %h5.th5 Core:
+              = "["+@nanoparticle[:core]["name"]+"]"
+              %br
+              %h5.th5 Coating:
+              = @nanoparticle[:coating][0]["name"]
+              %br
           / tox
           %td.tox
             - if @prediction[:value]
@@ -93,28 +98,21 @@
               - interval = @prediction[:prediction_interval].nil? ? " - - " : @prediction[:prediction_interval].collect{|i| i.round(2)}
               = "#{interval[0]} - #{interval[1]}"
             - if @prediction[:measurements]
-              %hr
+              %br
+              %br
               %h5.th5 Measurement:
               - @prediction[:measurements].each do |m|
                 = m
             - if !@prediction[:value] && !@prediction[:measurements]
               %h5.th5 not available
           / physchem
-          - if @prediction[:match]
-            - sorted = {}
-            - @input.each{|i| sorted[i[0]]=@prediction[:match].values[0]["physchem"][i[0]]}
-            - sorted.each do |k,v|
-              %td.physchem
-                %div{:style=>"display:inline-block;padding-right:20px;"}
-                  %p= v[0].round(3)
-          - else
-            - @input.each do |v|
-              %td.physchem
-                %div{:style=>"display:inline-block;padding-right:20px;"}
-                  - if v[1].nil?
-                    %p x
-                  - else
-                    %p= v[1][0].round(3)
+          - @input.sort_by{|d| OpenTox::Feature.find(d[0]).category}.each do |v|
+            %td.physchem
+              %div{:style=>"display:inline-block;padding-right:20px;"}
+                - if v[1].nil?
+                  %p x
+                - else
+                  %p= v[1][0].round(3)
 
         / neighbors
         - if @prediction[:neighbors]
@@ -142,7 +140,7 @@
                 = neighbor["measurements"][0]
               / Physchem
               -#- @input.each do |k,v|
-              - nano.physchem_descriptors.each do |k,v|
+              - nano.physchem_descriptors.sort_by{|d| OpenTox::Feature.find(d[0]).category}.each do |k,v|
                 %td.physchem
                   %div
                     %div{:style=>"display:inline-block;padding-right:20px;"}