diff options
Diffstat (limited to 'lib/compound.rb')
| -rw-r--r-- | lib/compound.rb | 48 |
1 files changed, 26 insertions, 22 deletions
diff --git a/lib/compound.rb b/lib/compound.rb index 01ba036..77948ab 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -38,27 +38,31 @@ post "/compound/descriptor/?" do end end -get %r{/compound/(.+)} do |inchi| - bad_request_error "Input parameter #{inchi} is not an InChI" unless inchi.match(/^InChI=/) - compound = Compound.from_inchi URI.unescape(inchi) - response['Content-Type'] = @accept - case @accept - when "application/json" - return JSON.pretty_generate JSON.parse(compound.to_json) - when "chemical/x-daylight-smiles" - return compound.smiles - when "chemical/x-inchi" - return compound.inchi - when "chemical/x-mdl-sdfile" - return compound.sdf - when "chemical/x-mdl-molfile" - when "image/png" - return compound.png - when "image/svg+xml" - return compound.svg - when "text/plain" - return "#{compound.names}\n" +get %r{/compound/(InChI.+)} do |input| + compound = Compound.from_inchi URI.unescape(input) + if compound + response['Content-Type'] = @accept + case @accept + when "application/json" + c = {"compound": {"id": compound.id, "inchi": compound.inchi, "smiles": compound.smiles, "warnings": compound.warnings}} + return JSON.pretty_generate JSON.parse(c.to_json) + when "chemical/x-daylight-smiles" + return compound.smiles + when "chemical/x-inchi" + return compound.inchi + when "chemical/x-mdl-sdfile" + return compound.sdf + when "chemical/x-mdl-molfile" + when "image/png" + return compound.png + when "image/svg+xml" + return compound.svg + #when "text/plain" + #return "#{compound.names}\n" + else + halt 400, "Content type #{@accept} not supported." + end else - return compound.inspect + halt 400, "Compound with #{input} not found.".to_json end -end
\ No newline at end of file +end |