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-rwxr-xr-xscripts/json2csv.rb5
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,