tests successful

1 files changed, 33 insertions, 0 deletions

diff --git a/compound.rb b/compound.rb
new file mode 100644
index 0000000..9c1552e
--- /dev/null
+++ b/compound.rb
@@ -0,0 +1,33 @@
+mime :uid, "text/plain"
+mime :smiles, "chemical/x-daylight-smiles"
+mime :inchi, "chemical/x-inchi"
+mime :sdf, "chemical/x-mdl-sdfile"
+mime :image, "image/gif"
+mime :names, "text/plain"
+
+set :default_content, :smiles
+
+get '/compound/*/match/*' do
+	"#{OpenTox::Compound.new(:inchi => params[:splat][0]).match(params[:splat][1])}"
+end
+
+get %r{/compound/(.+)} do |inchi| # catches all remaining get requests
+	inchi.gsub!(/ /,'+') # fix CGI? escaping of + signs
+	respond_to do |format|
+		format.smiles { inchi2smiles inchi }
+		format.names  { RestClient.get "#{CACTUS_URI}#{inchi}/names" }
+		format.inchi  { inchi }
+		format.sdf    { RestClient.get "#{CACTUS_URI}#{inchi}/sdf" }
+		format.image  { "#{CACTUS_URI}#{inchi}/image" }
+	end
+end
+
+post '/compound/?' do 
+	if params[:smiles]
+		OpenTox::Compound.new(:smiles => params[:smiles]).uri
+	elsif params[:inchi]
+		OpenTox::Compound.new(:inchi => params[:inchi]).uri
+	elsif params[:name]
+		OpenTox::Compound.new(:name => params[:name]).uri
+	end
+end