initial commit

hard copied nanoparticles.rb and data.json from @helma nano-lazar

3 files changed, 135 insertions, 0 deletions

diff --git a/views/layout.haml b/views/layout.haml
new file mode 100644
index 0000000..d6b1a9e
--- /dev/null
+++ b/views/layout.haml
@@ -0,0 +1,63 @@
+!!!
+%html{:xmlns => "http://www.w3.org/1999/xhtml", "xml:lang" => "en", :lang => "en"}
+  %head
+    %meta{'charset'=>"utf-8"}
+    %meta{'http-equiv'=>"X-UA-Compatible", :content=>"IE=edge"}
+    %meta{'name'=>"viewport", :content=>"width=device-width, initial-scale=1"}
+    %title Nano Lazar Toxicity Predictions
+    %link{:rel=>'icon', :type=>'image/x-icon', :href=>'/images/favicon.ico'}
+    %link{:rel=>'stylesheet', :href=>"#{'/css/bootstrap.min.css'}"}
+    %link{:rel=>'stylesheet', :href=>"#{'/css/theme.default.min.css'}"}
+    %link{:rel=>'stylesheet', :href=>"#{'/css/theme.bootstrap.min.css'}"}
+    %script{:src=>"/javascripts/jquery-1.11.2.min.js"}
+    %script{:src=>"/javascripts/bootstrap.min.js"}
+  %body
+    %noscript
+      %div{ :style=>"width: 22em; position: absolute; left: 50%; margin-left: -11em; color: red; background-color: white; border: 1px solid red; padding: 4px; font-family: sans-serif"}
+      Your web browser must have JavaScript enabled in order for this application to display correctly.
+    %header.page-header
+      %div.row
+        %div.col-md-2
+          %a{:href=> to("/predict")}
+            %img.media-object{:src=>"/images/ist_logo.png", :alt=>"logo_ist", :style=>"margin:0 3em 0 2em;"}
+        %div.col-md-6
+          %h1.media-heading{:style=>"margin: 0 0 0 1em;"} Nano Lazar Toxicity Predictions
+        %div.col-md-2
+          %a{:href=> "http://www.enanomapper.net" }
+            %img.media-object{:src=>"/images/enm-sm.jpg", :width=>"200px", :heigth=>"200px", :alt=>"logo_enm", :style=>"margin:0 3em 0 2em;"}
+    
+    %div.container-fluid
+      :javascript
+        $(document).ready(function(){
+          $("#back-top").hide();
+        });
+          
+      = yield
+    
+    %footer.footer
+      %div.container-fluid
+        %p.text-muted
+          © 
+          %a{:href => 'http://www.in-silico.ch', :rel => "external"} <i style="font-family: serife">in silico</i> toxicology gmbh 2004 - #{Time.now.year.to_s}
+
+    #back-top{:style => "z-index:100;position:fixed;bottom:1%;right:1%;"}
+      %a{:href => "", :style=>"text:decoration:none;color:#ccc;"}
+        %span.glyphicon.glyphicon-circle-arrow-up{:style => "font-size:3em;color:black;"}
+    :javascript
+      $("#back-top").hide();
+      $(function () {
+        $(window).scroll(function () {
+          if ($(this).scrollTop() > 600) {
+            $('#back-top').fadeIn();
+          } else {
+            $('#back-top').fadeOut();
+          }
+        });
+        // scroll body to 0px on click
+        $('#back-top a').click(function () {
+          $('body,html').animate({
+            scrollTop: 0
+          }, 500);
+          return false;
+        });
+      });
diff --git a/views/predict.haml b/views/predict.haml
new file mode 100644
index 0000000..6b9bf95
--- /dev/null
+++ b/views/predict.haml
@@ -0,0 +1,18 @@
+%div.well
+  %form{:role=>"form", :action=> to("/predict"), :method=>"post"}
+    %span.help-block
+      some help text to explain
+    #input
+    - size = @example.size
+    - @example.each_with_index do |v,id|
+      - id = id + 1
+      - key = v[0]
+      - val = v[1]
+      %div.form-group
+        %h3= key
+        %input.form-control{:id=>id,:type=>"hidden",:name=>"input_key_#{id}",:value=>key}
+        %input.form-control{:id=>id,:type=>"text",:name=>"input_value_#{id}",:value=>val}
+    %input.form-control{:id=>"example",:type=>"hidden",:name=>"size",:value=>size}
+    %hr
+    #predict
+      %button.btn.btn-info{:type=>"submit"} predict
diff --git a/views/prediction.haml b/views/prediction.haml
new file mode 100644
index 0000000..75164bd
--- /dev/null
+++ b/views/prediction.haml
@@ -0,0 +1,54 @@
+%div.well
+  %ul.nav.nav-tabs
+    %li
+      %a{:href=>"#query", :data=>{:toggle=>"tab"}} Query
+    %li
+      %a{:href=>"#match", :data=>{:toggle=>"tab"}} Match
+    %li.active
+      %a{:href=>"#prediction", :data=>{:toggle=>"tab"}} Prediction
+    %li
+      %a{:href=>"#neighbors", :data=>{:toggle=>"tab"}} Neighbors
+
+  %div.tab-content
+    #query.tab-pane.fade
+      %span.help-block
+        your query was
+      - @input.each_with_index do |v,id|
+        - key = v[0]
+        - val = v[1]
+        %h3= key
+        %input.form-control{:id=>id,:type=>"text",:value=>"#{val}", :disabled=>"true"}
+    #match.tab-pane.fade
+      - if @prediction[:match]  
+        %table
+        - @prediction[:match][:id].keys.each do |key|
+          %tr
+            %h3= key.capitalize
+          - @prediction[:match][:id][key.to_s].each do |k,v|
+            %td
+              %h5= k
+              %p= v
+      - else
+        %h3 No match
+    #prediction.tab-pane.in.active
+      - @prediction[:prediction].each do |k,v|
+        %h3= k
+        %p= v
+    #neighbors.tab-pane.fade
+      - @prediction[:neighbors].each do |neighbor|
+        %h3= neighbor["id"]
+        %h5= "Similarity: #{neighbor["similarity"]}"
+        %h3 Composition
+        - neighbor["composition"].each do |k,v|
+          %h5= k
+          %p= v
+        %h3 Tox
+        - neighbor["tox"].each do |k,v|
+          %h5= k
+          %p= v
+        %h3 Physchem
+        - neighbor["physchem"].each do |k,v|
+          %h5= k
+          %p= v
+        %hr
+