blob: b6714f510795fa57949499f8576ab143aad71fcf (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
|
require 'rubygems'
gem 'opentox-ruby-api-wrapper', '= 1.2.7'
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 "*/*"
OpenTox::Compound.new(:inchi => inchi).smiles
when "chemical/x-daylight-smiles"
OpenTox::Compound.new(:inchi => inchi).smiles
when "chemical/x-inchi"
inchi
when "chemical/x-mdl-sdfile"
OpenTox::Compound.new(:inchi => inchi).sdf
when "image/gif"
"#{CACTUS_URI}#{inchi}/image"
when "text/plain"
uri = File.join CACTUS_URI,inchi,"names"
RestClient.get(uri).to_s
else
halt 400, "Unsupported MIME type '#{request.env['HTTP_ACCEPT']}'"
end
end
post '/?' do
input = request.env["rack.input"].read
case request.content_type
when /chemical\/x-daylight-smiles/
OpenTox::Compound.new(:smiles => input).uri
when /chemical\/x-inchi/
OpenTox::Compound.new(:inchi => input).uri
when /chemical\/x-mdl-sdfile|chemical\/x-mdl-molfile/
OpenTox::Compound.new(:sdf => input).uri
when /text\/plain/
OpenTox::Compound.new(:name => input).uri
else
status 400
"Unsupported MIME type '#{request.content_type}'"
end
end
|
