change output of prediction

1 files changed, 7 insertions, 3 deletions

diff --git a/application.rb b/application.rb
index c60d4fc..87fd40a 100644
--- a/application.rb
+++ b/application.rb
@@ -64,14 +64,18 @@ post "/model/:id/?" do
   identifier = params[:identifier].split(",")
   begin
     # get compound from SMILES
-    compound = identifier.collect{ |i| Compound.from_smiles i.strip }
+    compounds = identifier.collect{ |i| Compound.from_smiles i.strip }
   rescue
     @error_report = "Attention, '#{params[:identifier]}' is not a valid SMILES string."
     return @error_report
   end
   model = OpenTox::Model::Lazar.find params[:id]
-  prediction = model.predict(compound)
-  return prediction.to_json
+  batch = {}
+  compounds.each do |compound|
+    prediction = model.predict(compound)
+    batch[compound] = {:id => compound.id, :inchi => compound.inchi, :smiles => compound.smiles, :model => model, :prediction => prediction}
+  end
+  return batch.to_json
 end
 
 # Get a list of a single or all descriptors