require 'rubygems' require 'compass' #must be loaded before sinatra require 'sinatra' require 'haml' #must be loaded after sinatra require 'opentox-client' require 'opentox-server' require File.join(File.dirname(__FILE__),'helper.rb') require File.join(ENV["HOME"],".opentox","config","lazar-gui.rb") helpers do end get '/?' do redirect to('/predict') end get '/predict/?' do @models = OpenTox::Model.all $model[:uri] haml :predict end get '/jme_help/?' do File.read(File.join('views','jme_help.html')) end # best way to get individual compound uri for details get '/prediction/:neighbour/details/?' do @compound_uri = OpenTox::Compound.new params[:neighbour] @smiles = @compound_uri.smiles task = OpenTox::Task.create($task[:uri], @subjectid, RDF::DC.description => "look for names.") do names = @compound_uri.names end sleep 1 task.get case task[RDF::OT.hasStatus] when "Error" @names = "There are no names for this compound available." when "Completed" @names = @compound_uri.names.join(",") end @inchi = @compound_uri.inchi.gsub("InChI=", "") haml :details, :layout => false end post '/predict/?' do # validate identifier input task = OpenTox::Task.create($task[:uri], @subjectid, RDF::DC.description => "#{params[:identifier] ? params[:identifier] : "no valid SMILES string."}: Validate SMILES string.") do # transfered input @identifier = params[:identifier] # get compound from SMILES @compound = OpenTox::Compound.from_smiles $compound[:uri], @identifier.to_s # validate SMILES by converting to INCHI inchi = @compound.inchi end # necessary to wait for task sleep 1 task.get $logger.debug "task uri: #{task.uri}" $logger.debug "task status: #{task[RDF::OT.hasStatus]}" # case task fails return message smiles invalid # case task completed go ahead case task[RDF::OT.hasStatus] when "Error" @error_report = "Not a valid SMILES string." haml :error when "Completed" @identifier = params[:identifier] @compound = OpenTox::Compound.from_smiles $compound[:uri], @identifier.to_s # init @@prediction_models = [] @@predictions = [] # init lazar algorithm lazar = OpenTox::Algorithm.new File.join($algorithm[:uri],"lazar") # gather models from service and compare if selected params[:selection].each do |model| @mselected = model[0] @mall = OpenTox::Model.all $model[:uri] @mall.each do |m| m.get @@prediction_models << m if m.title =~ /#{@mselected}/ end $logger.debug "@prediction_models: #{@@prediction_models.inspect}" end # predict with selected models # results in prediction variable # store prediction in array for better handling @@prediction_models.each do |m| @prediction_uri = m.run :compound_uri => "#{@compound.uri}" prediction = OpenTox::Dataset.new @prediction_uri pa = [] pa << prediction @@predictions << pa end haml :prediction end end get '/stylesheets/:name.css' do content_type 'text/css', :charset => 'utf-8' sass(:"stylesheets/#{params[:name]}", Compass.sass_engine_options ) end