similarity.rb


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require File.join(File.dirname(__FILE__),'dataset.rb')

helpers do
def find
  # + charges are dropped
  uri = uri(params[:splat].first.gsub(/(InChI.*) (.*)/,'\1+\2')) # reinsert dropped '+' signs in InChIs
  raise OpenTox::NotFoundError.new "Dataset \"#{uri}\" not found." unless @set = Dataset.find(uri)
end

def uri(name)
  name = URI.encode(name)
  uri = File.join Dataset.base_uri, name
  end
end

get '/tanimoto/dataset/*/dataset/*/?' do
  find
  @set.tanimoto(uri(params[:splat][1]))
end

get '/weighted_tanimoto/dataset/*/dataset/*/?' do
  find
  @set.weighted_tanimoto(uri(params[:splat][1]))
end