diff options
| -rw-r--r-- | lib/dataset.rb | 12 |
1 files changed, 11 insertions, 1 deletions
diff --git a/lib/dataset.rb b/lib/dataset.rb index 1d4ad55..d7a8e47 100644 --- a/lib/dataset.rb +++ b/lib/dataset.rb @@ -233,8 +233,18 @@ module OpenTox # Get SDF representation of compounds # @return [String] SDF representation def to_sdf + sum="" + @compounds.each{ |c| + sum << OpenTox::Compound.new(c).to_inchi + sum << OpenTox::Compound.new(c).to_sdf + } + sum + end + + def to_urilist @compounds.inject { |sum, c| - sum + OpenTox::Compound.new(c).to_sdf + sum << OpenTox::Compound.new(c).uri + sum + "\n" } end |