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-rw-r--r--application.rb22
1 files changed, 17 insertions, 5 deletions
diff --git a/application.rb b/application.rb
index e1c6214..b8b1d04 100644
--- a/application.rb
+++ b/application.rb
@@ -1,25 +1,37 @@
# Java environment
-=begin
ENV["JAVA_HOME"] = "/usr/lib/jvm/java-6-sun" unless ENV["JAVA_HOME"]
java_dir = File.join File.expand_path(File.dirname(__FILE__)),"public/java"
cdk = File.join java_dir, "cdk-1.3.5.jar"
jchempaint = File.join java_dir, "cdk-jchempaint-15.jar"
ENV["CLASSPATH"] = "#{ENV["CLASSPATH"]}:#{java_dir}:#{cdk}:#{jchempaint}"
-=end
require 'rubygems'
-#require 'rjb'
+require 'rjb'
gem "opentox-ruby-api-wrapper", "= 1.6.0"
require 'opentox-ruby-api-wrapper'
-#set :lock, true
+get %r{/smiles/(.+)/smarts/(.*)} do |smiles,smarts|
+ content_type "image/png"
+ attachment "#{smiles}.png"
+ #LOGGER.debug "SMILES: #{smiles}, SMARTS: #{smarts}"
+ s = Rjb::import('Structure').new(smiles,200)
+ s.match(smarts)
+ s.show
+end
+
+
+get %r{/smiles/(.+)} do |smiles|
+ content_type "image/png"
+ attachment "#{smiles}.png"
+ Rjb::import('Structure').new(smiles,200).show
+end
get %r{/(.+)/image} do |inchi| # catches all remaining get requests
smiles = OpenTox::Compound.new(:inchi => inchi).smiles
content_type "image/png"
attachment "#{smiles}.png"
- Rjb::import('Display').new(smiles,600).image
+ Rjb::import('Structure').new(smiles,200).show
end