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|
require "./pug.rb"
require "./pubchem.rb"
module OpenTox
class Application < Sinatra::Base
set :static, true
set :root, File.dirname(__FILE__)
configure :development do
register Sinatra::Reloader
also_reload './pubchem.rb'
end
before '/cid/:cid/*' do
@compound = PubChemCompound.new params[:cid]
end
get '/?' do
haml :index
end
get '/cid/:cid/?' do
haml :compound
end
get '/search/?' do
@compounds = PubChemCompound.from_name params[:name]
if @compounds.nil?
haml :not_found
elsif @compounds.is_a? Array
haml :select
else
@compound = @compounds
haml :compound
end
end
get '/cid/:cid/targets/?' do
@assays = @compound.targets
if @assays.empty?
"<br><em>No PubChem data</em></br>"
else
haml :targets, :layout => false
end
end
get '/cid/:cid/nontargets/?' do
@assays = @compound.non_targets
if @assays.empty?
"<br><em>No PubChem data</em></br>"
else
haml :targets, :layout => false
end
end
get '/cid/:cid/other_active_assays/?' do
@assays = @compound.active_assays - @compound.targets
if @assays.empty?
"<br><em>No PubChem data</em></br>"
else
haml :assays, :layout => false
end
end
get '/cid/:cid/other_inactive_assays/?' do
@assays = @compound.inactive_assays - @compound.non_targets
if @assays.empty?
"<br><em>No PubChem data</em></br>"
else
haml :assays, :layout => false
end
end
get '/cid/:cid/predicted_targets/?' do
@assays = @compound.predicted_targets
puts @assays.inspect
haml :predicted_targets, :layout => false
end
get '/cid/:cid/predicted_nontargets/?' do
@assays = @compound.predicted_non_targets
haml :predicted_targets, :layout => false
end
get '/cid/:cid/other_predicted_active_assays/?' do
@assays = @compound.predicted_active_assays - @compound.predicted_targets
haml :predicted_assays, :layout => false
end
get '/cid/:cid/other_predicted_inactive_assays/?' do
@assays = @compound.predicted_inactive_assays - @compound.predicted_non_targets
haml :predicted_assays, :layout => false
end
get '/cid/:cid/neighbors/?' do
haml :neighbors, :layout => false
end
get '/cid/:cid/cosine/:cid2/?' do
@compound.cosine(PubChemCompound.new(params[:cid2])).round(3).to_s
end
get '/fp/?' do
@fp = []
YAML.load_file("false_positives.yaml").each do |pred|
pred[:fp_targets].each do |gi,t|
@fp << {
"CID" => pred[:cid],
"Target GI" => gi,
"p_active" => t[:p][:active].first,
"p_inactive" => t[:p][:inactive].first,
:assays => t[:measured],
:neighbors => t[:neighbors]
}
end
end
@fp.sort!{|a,b| b["p_active"] <=> a["p_active"]}
haml :fp
end
end
end
|
