From 36ddfa15a91ddea1ed468c9cef4834fa5aebdbdd Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Mon, 20 Aug 2012 14:33:48 +0200 Subject: new compound serialisation methods --- lib/dataset.rb | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) (limited to 'lib/dataset.rb') diff --git a/lib/dataset.rb b/lib/dataset.rb index e0f2d5a..4816b5a 100644 --- a/lib/dataset.rb +++ b/lib/dataset.rb @@ -22,7 +22,7 @@ module OpenTox CSV.generate do |csv| csv << ["SMILES"] + @features.collect{|f| f.title} @compounds.each_with_index do |c,i| - csv << [c.to_smiles] + @data_entries[i] + csv << [c.smiles] + @data_entries[i] end end end -- cgit v1.2.3