From f6a55a7121a61865d85ad7195371bd8fd784fb29 Mon Sep 17 00:00:00 2001
From: mguetlein <martin.guetlein@gmail.com>
Date: Mon, 6 Jun 2011 12:39:37 +0200
Subject: removing several halt, adding debug message, getting smiles directly

---
 fminer.rb | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

(limited to 'fminer.rb')

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
-- 
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