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") get '/?' do redirect to('/predict') end get '/predict/?' do @models = OpenTox::Model.all $model[:uri] haml :predict end post '/predict/?' do # transferred input @identifier = params[:identifier] # get input as compound @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| $logger.debug "selection: #{model[0]}" @mselected = model[0] @mall = OpenTox::Model.all $model[:uri] @mall.each do |m| m.get $logger.debug "m.title: #{m.title}; m.uri: #{m.uri}\n" @prediction_models << m if m.title =~ /#{@mselected}/ end $logger.debug "@prediction_models: #{@prediction_models.inspect}" end # predict with selected models # predictions in @predictions variable $logger.debug "@models: #{@models.inspect}" @prediction_models.each do |m| @prediction_uri = m.run :compound_uri => "#{@compound.uri}" prediction = OpenTox::Dataset.new @prediction_uri @predictions << prediction end @prediction_values = [] @prediction_compound = [] @prediction_neighbours_values = [] @prediction_neighbours_compounds = [] @predictions.each do |p| # get object p.get # first data_entries are prediction values @prediction_values << p.data_entries[0] # get prediction compound as object $logger.debug "prediction.compound: #{p.compounds.inspect}" $logger.debug "prediction.compound: #{p.compounds[0].inspect}" @prediction_compound << p.compounds[0] # delete first data_entries from array p.data_entries.shift # delete first compound from array p.compounds.shift # following data_entries are neighbours @prediction_neighbours_values << p.data_entries # get neighbour compounds as object p.compounds.each{|c| @prediction_neighbours_compounds << c} end haml :prediction end get '/stylesheets/:name.css' do content_type 'text/css', :charset => 'utf-8' sass(:"stylesheets/#{params[:name]}", Compass.sass_engine_options ) end