:javascript function checksmiles () { if (document.form.identifier.value == "") { alert("Please draw or insert a chemical structure."); $("img.circle").hide(); document.form.identifier.focus(); return false; }; return true; }; function checkboxes () { var checked = false; $('input[type="checkbox"]').each(function() { if ($(this).is(":checked")) { checked = true; }; }); if (checked == false){ alert("Please select an endpoint."); $("img.circle").hide(); return false; }; return true; }; function jsmeOnLoad() { jsmeApplet = new JSApplet.JSME("appletContainer", "380px", "340px", { //optional parameters "options" : "polarnitro" }); document.JME = jsmeApplet; }; function getsmiles() { if (document.JME.smiles() != '') { document.form.identifier.value = document.JME.smiles() ; }; }; function showcircle(){ $("img.circle").show(); }; // whole site content needs to be in one form. Input and checkboxes are proofed by js functions. %form{:name => "form", :action => to('/predict'), :method => "post", :enctype => "multipart/form-data", :onsubmit => "return !!(checksmiles() & checkboxes())" } %fieldset#top %a{:href => "#", :id => "linkInsert"} %h1 1. Draw a chemical structure :javascript $("a#linkInsert").click(function () { $("#insert").toggle(); document.location = document.location + "#" + "insert"; }); #insert %p %label   #appletContainer %br %label{:for => 'identifier'} or enter the %a{:href => "http://en.wikipedia.org/wiki/Simplified_molecular_input_line_entry_specification", :rel => "external"} SMILES string: %input{:type => 'text', :name => 'identifier', :id => 'identifier', :size => '60'} .arrow %img{:src=>"/images/arrow_down_float.png", :alt=>"v", :class=> "arrow"} %fieldset#middle %a{:href => "#models", :id => "linkModels"} %h1 2. Select one or more endpoints :javascript $("a#linkModels").click(function () { $("#models").toggle(); document.location = document.location + "#" + "models"; }); #models - @detail_count = 0 - @models.each do |model| - model_endpoint = model.type.select{|endpoint| endpoint =~ /Endpoint/}.to_s - model_title = model.title.split("_").last(2)[0] - model_t = model.title.gsub("_", " ") - case model_endpoint - when /fish/i %br %b Acute toxicity to fish (lethality): - @detail_count +=1 %div{:id => model_title} %input{:type => "checkbox", :name => "selection[#{model_title}]", :id => "selection[#{model_title}]", :value => true, :disabled => false} %label{:for => "selection[#{model_title}]"} = model_t %a{:href=>"#details", :id => "linkDetails#{model_title}", :title=>"#{model_title} details", :style=>"font-size:small;"} [Details] :javascript $("a#linkDetails#{model_title}").click(function () { $("#details_#{@detail_count}").toggle(); //document.location = document.location + "#" + "details"; }); #details{:id => "#{@detail_count}", :style=> "display:none;"} %h3 Model Details: //%p= "Training Dataset:\t#{model[RDF::OT.trainingDataset]}" %p{:style=>"display:inline;"} Algorithm: %code{:style=>"font-size:x-large;"} lazar %p Type: regression %p Training compounds: 580 %p{:style=>"display:inline;"} Descriptors: %a{:href=>"https://services.in-silico.ch/algorithm/descriptor/physchem/list", :title=>"link opens in new window.", :target=>"_blank"} Physico-chemical (PC) properties //%p= "Training Dataset:\t#{model[RDF::OT.trainingDataset]}" //%p= "Feature Dataset:\t#{model[RDF::OT.featureDataset]}" /%h3 Validation: -#%a{:href => "#"} Detailed report link /%p Number of predictions: integer /%p Correct predictions: % - when /Carcinogenicity/i %br %b Carcinogenicity: - @detail_count +=1 %div{:id => model_title} %input{:type => "checkbox", :name => "selection[#{model_title}]", :id => "selection[#{model_title}]", :value => true, :disabled => false} %label{:for => "selection[#{model_title}]"} = model.title.gsub("_", " ") %a{:href=>"#details", :id => "linkDetails#{model_title}", :title=>"#{model_title} details", :style=>"font-size:small;"} [Details] :javascript $("a#linkDetails#{model_title}").click(function () { $("#details_#{@detail_count}").toggle(); //document.location = document.location + "#" + "details"; }); #details{:id=>"#{@detail_count}", :style=> "display:none;"} %h3 Model Details: //%p= "Training Dataset:\t#{model[RDF::OT.trainingDataset]}" %p{:style=>"display:inline;"} Algorithm: %code{:style=>"font-size:x-large;"} lazar %p Type: classification %p Training compounds: 86 %p{:style=>"display:inline;"} Descriptors: %a{:href=>"http://www.maunz.de/libfminer2-bbrc-doc/", :title=>"link opens in new window.", :target=>"_blank"} Fminer backbone refinement classes //%p= "Training Dataset:\t#{model[RDF::OT.trainingDataset]}" //%p= "Feature Dataset:\t#{model[RDF::OT.featureDataset]}" %h3 Validation: %a{:href => "http://lazar-services.in-silico.ch/validation/report/crossvalidation/22", :title=>"Link opens in new window.", :target=>"_blank"} Detailed report link /%p Number of predictions: integer /%p Correct predictions: % %br - when /Mutagenicity/i %br %b Mutagenicity: - @detail_count +=1 %div{:id => model_title} %input{:type => "checkbox", :name => "selection[#{model_title}]", :id => "selection[#{model_title}]", :value => true, :disabled => false} %label{:for => "selection[#{model_title}]"} = model.title.gsub("_", " ") %a{:href=>"#details", :id => "linkDetails#{model_title}", :title=>"#{model_title} details", :style=>"font-size:small;"} [Details] :javascript $("a#linkDetails#{model_title}").click(function () { $("#details_#{@detail_count}").toggle(); //document.location = document.location + "#" + "details"; }); #details{:id => "#{@detail_count}", :style=> "display:none;"} %h3 Model Details: //%p= "Training Dataset:\t#{model[RDF::OT.trainingDataset]}" %p{:style=>"display:inline;"} Algorithm: %code{:style=>"font-size:x-large;"} lazar %p Type: classification %p Training compounds: 828 %p{:style=>"display:inline;"} Descriptors: %a{:href=>"http://www.maunz.de/libfminer2-bbrc-doc/", :title=>"link opens in new window.", :target=>"_blank"} Fminer backbone refinement classes //%p= "Training Dataset:\t#{model[RDF::OT.trainingDataset]}" //%p= "Feature Dataset:\t#{model[RDF::OT.featureDataset]}" %h3 Validation: %a{:href => "http://lazar-services.in-silico.ch/validation/report/crossvalidation/25", :title=>"Link opens in new window.", :target=>"_blank"} Detailed report link /%p Number of predictions: integer /%p Correct predictions: % %br .arrow %img{:src=>"/images/arrow_down_float.png", :alt=>"v", :class=> "arrow"} %fieldset#bottom %h1 3. Predict %input{ :type => "submit", :id => "submit", :value=>">>", :onclick => "(getsmiles() & showcircle())", :style=>"height:30px;width:30px;"} %img{:src=>"/images/wait30trans.gif", :alt=>"processing", :class=>"circle", :style=>"display:none;background-color:white;margin-left:10%;border:solid 1px;vertical-align:middle;"}