diff options
| author | Christoph Helma <helma@in-silico.ch> | 2012-08-20 14:33:48 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2012-08-20 14:33:48 +0200 |
| commit | 36ddfa15a91ddea1ed468c9cef4834fa5aebdbdd (patch) | |
| tree | a4f0d186a431eeccb28446b1b47433197b9c8f54 /lib/dataset.rb | |
| parent | 523275b0e30412078a33d618dcb5a6f077716376 (diff) | |
new compound serialisation methods
Diffstat (limited to 'lib/dataset.rb')
| -rw-r--r-- | lib/dataset.rb | 2 |
1 files changed, 1 insertions, 1 deletions
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 |