diff options
Diffstat (limited to 'scripts/hansen2csv.rb')
-rwxr-xr-x | scripts/hansen2csv.rb | 6 |
1 files changed, 4 insertions, 2 deletions
diff --git a/scripts/hansen2csv.rb b/scripts/hansen2csv.rb index 7684afd..3c8c3e1 100755 --- a/scripts/hansen2csv.rb +++ b/scripts/hansen2csv.rb @@ -4,7 +4,9 @@ require_relative '../../lazar/lib/lazar.rb' i = 0 CSV.foreach(ARGV[0]) do |row| - i == 0 ? c = "SMILES" : c = OpenTox::Compound.from_smiles(row[5]).smiles - puts [c, row[2]].join "," + if i > 0 + c = OpenTox::Compound.from_smiles(row[5]).smiles + puts ["hansen_#{row[0]}",c, row[2]].join "," + end i += 1 end |