scripts/merge-mutagenicity.rb


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#!/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 }