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author | Christoph Helma <helma@in-silico.de> | 2009-10-06 09:57:35 +0200 |
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committer | Christoph Helma <helma@in-silico.de> | 2009-10-06 09:57:35 +0200 |
commit | e0456259d3ba9b2b1db92c55fec75ea23d331bcc (patch) | |
tree | f551bfa87d74afbc766e7bb3c0f25b080787c20b /similarity.rb | |
parent | 4fb516b327f559439c42fc930562524a2017aa85 (diff) |
Passes tests in opentox-test
Diffstat (limited to 'similarity.rb')
-rw-r--r-- | similarity.rb | 25 |
1 files changed, 25 insertions, 0 deletions
diff --git a/similarity.rb b/similarity.rb new file mode 100644 index 0000000..672c03b --- /dev/null +++ b/similarity.rb @@ -0,0 +1,25 @@ +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 + halt 404, "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 + |