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-rwxr-xr-xscripts/merge-mutagenicity.rb30
1 files changed, 0 insertions, 30 deletions
diff --git a/scripts/merge-mutagenicity.rb b/scripts/merge-mutagenicity.rb
deleted file mode 100755
index 2de7d1c..0000000
--- a/scripts/merge-mutagenicity.rb
+++ /dev/null
@@ -1,30 +0,0 @@
-#!/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 }