1 files changed, 30 insertions, 0 deletions
diff --git a/scripts/merge-mutagenicity.rb b/scripts/merge-mutagenicity.rb
new file mode 100755
index 0000000..2de7d1c
--- /dev/null
+++ b/scripts/merge-mutagenicity.rb
@@ -0,0 +1,30 @@
+#!/usr/bin/env ruby
+require 'csv'
+require 'json'
+
+acts = {}
+ids = {}
+ARGV.each do |csv|
+  CSV.foreach(csv) do |row|
+    acts[row[1]] ||= []
+    acts[row[1]] << row[2]
+    ids[row[1]] ||= []
+    ids[row[1]] << row[0]
+  end
+end
+
+contradictions = {}
+puts ["SMILES","Mutagenicity"].join(",")
+acts.each do |s,a|
+  if a.uniq.size > 1
+    contradictions[s] ||= {}
+    a.each_with_index do |act,i|
+      contradictions[s][ids[s][i]] = act
+      puts [s,act].join ","
+    end
+  else
+    puts [s,a.first].join ","
+  end
+end
+
+File.open(File.join(File.dirname(__FILE__),"..","data","contradictions.json"),"w+") { |cont| cont.puts contradictions.to_json }