removing several halt, adding debug message, getting smiles directly

1 files changed, 1 insertions, 1 deletions

diff --git a/fminer.rb b/fminer.rb
index 81725cd..00d11a0 100644
--- a/fminer.rb
+++ b/fminer.rb
@@ -334,7 +334,7 @@ post '/fminer/last/?' do
 
     training_dataset.data_entries.each do |compound,entry|
       begin
-        smiles = OpenTox::Compound.new(compound.to_s).to_smiles
+        smiles = OpenTox::Compound.smiles(compound.to_s)
       rescue
         LOGGER.warn "No resource for #{compound.to_s}"
         next