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path: root/views/neighbors.haml
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/ unpacks multi prediction array ;
/ prepare it for neighbors ;
/ align single prediction to endpoint ;
/ display preordered in table view ;

%div.results
  %h3 Neighbors:
  / tabs div
  #tabs
    %ul.nav.nav-tabs.nav-justified{:id=>"neighborTabs", :role=>"tablist"}
      / each model a tab head ;
      - @models.each_with_index do |model,i|
        %li{:class => ("active" if i == 0)}
          %a{:href => "#results_#{i+1}", :id => "linkTab#{i+1}", data: {toggle:"tab"}}
            = "#{model.endpoint} (#{model.species})"
    %div.tab-content
      / unpack to single arrays
      - @predictions.each_with_index do |prediction,j|
        / pass model type for significant fragments view
        #results.tab-pane{:id=>"#{j+1}", :class => ("active" if j == 0)}
          / prepare dataset for neighbors table ;
          / delete first array which contains prediction ;
          / following arrays are the neighbor predictions ;
          / call the tablesorter plugin ;
          / presort by similarity ;
          :javascript
            $(document).ready(function(){
              $("table##{j+1}").tablesorter({
                debug: false,
                theme: "bootstrap",
                headerTemplate: '{content} {icon}',
                widgets: ['zebra', 'columns', 'uitheme'],
                headers: {0: {sorter: false}, 3: {sorter: false}},
                sortList: [[2,1]],
                widthFixed: false
              });
            });
          - if prediction[:neighbors].size > 0
            %div.table-responsive
              %table.tablesorter{:id=>"#{j+1}", :style=>"border-style: solid;"}
                %thead
                  %tr
                    %th{:style =>"vertical-align:middle;"}
                      Compound
                    %th{:style =>"vertical-align:middle;"}
                      Measured Activity
                    %th{:style =>"vertical-align:middle;"}
                      Similarity
                    / %th{:style =>"vertical-align:middle;"}
                    / Supporting Information
                %span
                  %tr
                    %td
                    %td{:style=>"font-size:x-small;padding:0px;"}
                      / %a.btn.glyphicon.glyphicon-info-sign{:href=>"#neighbors", :title=>"Measured Activity", data: {toggle:"popover", placement:"auto", html:"true", content:"Experimental result(s) from the training dataset."}, :style=>"z-index:auto+10;"}
                    %td{:style=>"font-size:x-small;padding:0px;"}
                      / %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].uniq.each_with_index do |neighbor,count|
                  %tr
                    / Compound
                    %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
                    %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
                    %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."

          - else
            %span.btn.btn-default.disabled
              = "Not enough similar compounds in training dataset"

          %div.modal.fade{:id=>"details#{j+1}", :role=>"dialog"}
            %div.modal-dialog.modal-lg
              %div.modal-content