diff options
| author | Christoph Helma <helma@in-silico.ch> | 2018-11-06 20:58:35 +0100 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2018-11-06 20:58:35 +0100 |
| commit | 9d84d594678b207f73302c4f7f78f219512d229a (patch) | |
| tree | 17becdb5429b4acae4c3733ef8bccb99eeaeae1f /scripts | |
| parent | 10dc2ebb982057da6501d6072f165fe21061483e (diff) | |
smiles instead of ids in csv export
Diffstat (limited to 'scripts')
| -rwxr-xr-x | scripts/json2csv.rb | 5 |
1 files changed, 3 insertions, 2 deletions
diff --git a/scripts/json2csv.rb b/scripts/json2csv.rb index 7c61c5a..03191de 100755 --- a/scripts/json2csv.rb +++ b/scripts/json2csv.rb @@ -3,8 +3,9 @@ require_relative '../../lazar/lib/lazar' include OpenTox results = JSON.parse File.read(ARGV[0]) -puts "SMILES,#{File.basename(ARGV[0]).sub("pa_","").capitalize},Probability(0),Probability(1),Nr Neighbors,Warnings" -results.each do |s,r| +puts "SMILES,#{File.basename(ARGV[0],".json").sub("pa_","").capitalize},Probability(0),Probability(1),Nr Neighbors,Warnings" +results.each do |id,r| + s = Compound.find(id).smiles if r["value"] puts [ s, |