diff options
Diffstat (limited to 'paper/functional-groups.rb')
| -rw-r--r-- | paper/functional-groups.rb | 2 |
1 files changed, 1 insertions, 1 deletions
diff --git a/paper/functional-groups.rb b/paper/functional-groups.rb index e961b92..9da2a18 100644 --- a/paper/functional-groups.rb +++ b/paper/functional-groups.rb @@ -20,7 +20,7 @@ table = [] new.compounds.each do |c| newcount += Algorithm::Descriptor.smarts_match(c,smarts_feature).first.to_i end - puts "#{name}, #{oldcount}, #{newcount}" + puts "#{name}, #{oldcount}, #{newcount}" if oldcount > 0 and newcount > 0 else p name, smarts end |