diff options
| author | Andreas Maunz <andreas@maunz.de> | 2011-07-21 14:22:02 +0200 |
|---|---|---|
| committer | Andreas Maunz <andreas@maunz.de> | 2011-07-21 14:22:02 +0200 |
| commit | aa9e6cba5494f2771ade29850aaba7ea854caaf0 (patch) | |
| tree | 1a6ed8c022f90503f5a55339123ee01a534e6fc3 | |
| parent | d6d02b31f3785d39f0c01053d632eee217c9dcee (diff) | |
Fixed conversion to Mol object
| -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 3573633..1d4ad55 100644 --- a/lib/dataset.rb +++ b/lib/dataset.rb @@ -234,7 +234,7 @@ module OpenTox # @return [String] SDF representation def to_sdf @compounds.inject { |sum, c| - sum + c.to_sdf + sum + OpenTox::Compound.new(c).to_sdf } end |