diff options
| author | Christoph Helma <helma@in-silico.ch> | 2010-11-10 17:41:56 +0100 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2010-11-10 17:41:56 +0100 |
| commit | 472ba74cd8f78a09563880f366dc6fc01744ccaf (patch) | |
| tree | ed6cc78e4cf51e09c8dab7ef6f79f8a796b6fd4d | |
| parent | 340a9152c99daffe27aa86a8ee6826f78610ebe0 (diff) | |
Format conversion functions adapted to new wrapper version
| -rw-r--r-- | application.rb | 14 |
1 files changed, 7 insertions, 7 deletions
diff --git a/application.rb b/application.rb index 17f7faa..0847276 100644 --- a/application.rb +++ b/application.rb @@ -19,7 +19,7 @@ end # curl http://webservices.in-silico.ch/compound/compound/InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/smarts/activating/cN/ccN/deactivating/cc" > img.png # @return [image/png] Image with highlighted substructures get %r{/(.+)/smarts/activating/(.*)/deactivating/(.*)$} do |inchi,activating,deactivating| - smiles = OpenTox::Compound.from_inchi(@inchi).smiles + smiles = OpenTox::Compound.from_inchi(@inchi).to_smiles activating = activating.to_s.split(/\//).collect{|s| s.gsub(/"/,'')} deactivating = deactivating.to_s.split(/\//).collect{|s| s.gsub(/"/,'')} content_type "image/png" @@ -35,7 +35,7 @@ end # @return [image/png] Image data get %r{/(.+)/image} do |inchi| # catches all remaining get requests inchi = URI.unescape request.env['REQUEST_URI'].sub(/^\//,'').sub(/.*compound\//,'').sub(/\/smarts.*$/,'') # hack to avoid sinatra's URI/CGI unescaping, splitting, ..." - smiles = OpenTox::Compound.from_inchi(inchi).smiles + smiles = OpenTox::Compound.from_inchi(inchi).to_smiles content_type "image/png" attachment "#{smiles}.png" Rjb.load(nil,["-Xmx64m"])# avoid JVM memory allocation problems @@ -54,22 +54,22 @@ get %r{/(.+)} do |inchi| # catches all remaining get requests case request.env['HTTP_ACCEPT'] when "*/*" response['Content-Type'] = "chemical/x-daylight-smiles" - OpenTox::Compound.from_inchi(@inchi).smiles + OpenTox::Compound.from_inchi(@inchi).to_smiles when "chemical/x-daylight-smiles" response['Content-Type'] = "chemical/x-daylight-smiles" - OpenTox::Compound.from_inchi(@inchi).smiles + OpenTox::Compound.from_inchi(@inchi).to_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.from_inchi(@inchi).sdf + OpenTox::Compound.from_inchi(@inchi).to_sdf when "image/gif" response['Content-Type'] = "image/gif" - OpenTox::Compound.from_inchi(@inchi).gif + OpenTox::Compound.from_inchi(@inchi).to_gif when "image/png" response['Content-Type'] = "image/png" - OpenTox::Compound.from_inchi(@inchi).png + OpenTox::Compound.from_inchi(@inchi).to_png when "text/plain" response['Content-Type'] = "text/plain" uri = File.join @@cactus_uri,@inchi,"names" |