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require 'rubygems'
gem "opentox-ruby-api-wrapper", "= 1.5.7"
require 'opentox-ruby-api-wrapper'
set :lock, true
CACTUS_URI="http://cactus.nci.nih.gov/chemical/structure/"
get %r{/(.+)} do |inchi| # catches all remaining get requests
inchi = URI.unescape request.env['REQUEST_URI'].sub(/^\//,'').sub(/.*compound\//,'') # hack to avoid sinatra's URI/CGI unescaping, splitting, ..."
case request.env['HTTP_ACCEPT']
when "*/*"
response['Content-Type'] = "chemical/x-daylight-smiles"
OpenTox::Compound.new(:inchi => inchi).smiles
when "chemical/x-daylight-smiles"
response['Content-Type'] = "chemical/x-daylight-smiles"
OpenTox::Compound.new(:inchi => inchi).smiles
when "chemical/x-inchi"
response['Content-Type'] = "chemical/x-inchi"
inchi
when "chemical/x-mdl-sdfile"
response['Content-Type'] = "chemical/x-mdl-sdfile"
OpenTox::Compound.new(:inchi => inchi).sdf
when "image/gif"
response['Content-Type'] = "image/gif"
OpenTox::Compound.new(:inchi => inchi).gif
when "image/png"
response['Content-Type'] = "image/png"
OpenTox::Compound.new(:inchi => inchi).png
when "text/plain"
response['Content-Type'] = "text/plain"
uri = File.join CACTUS_URI,inchi,"names"
RestClient.get(uri).body
else
halt 400, "Unsupported MIME type '#{request.env['HTTP_ACCEPT']}'"
end
end
post '/?' do
input = request.env["rack.input"].read
response['Content-Type'] = 'text/uri-list'
begin
case request.content_type
when /chemical\/x-daylight-smiles/
OpenTox::Compound.new(:smiles => input).uri + "\n"
when /chemical\/x-inchi/
OpenTox::Compound.new(:inchi => input).uri + "\n"
when /chemical\/x-mdl-sdfile|chemical\/x-mdl-molfile/
OpenTox::Compound.new(:sdf => input).uri + "\n"
when /text\/plain/
OpenTox::Compound.new(:name => input).uri + "\n"
else
status 400
"Unsupported MIME type '#{request.content_type}'"
end
rescue
status 400
"Cannot process request '#{input}' for content type '#{request.content_type}'"
end
end
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