From 6ab86c253ba0eb79b9e6a20effa2d18626accf2b Mon Sep 17 00:00:00 2001
From: Christoph Helma <helma@in-silico.ch>
Date: Thu, 13 Aug 2015 11:56:40 +0200
Subject: OpenBabel can (canonical smiles) instead of inchi as internal
 identifier to avoid OpenBabel InChi bug.

---
 lib/neighbor.rb | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

(limited to 'lib/neighbor.rb')

diff --git a/lib/neighbor.rb b/lib/neighbor.rb
index a2c28d4..d849cbf 100644
--- a/lib/neighbor.rb
+++ b/lib/neighbor.rb
@@ -8,7 +8,7 @@ module OpenTox
 
       def self.fminer_similarity compound, params
         feature_dataset = Dataset.find params[:feature_dataset_id]
-        query_fingerprint = Algorithm::Descriptor.smarts_match(compound, feature_dataset.features.collect{|f| f.smarts} )
+        query_fingerprint = Algorithm::Descriptor.smarts_match(compound, feature_dataset.features)
         neighbors = []
 
         # find neighbors
-- 
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