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path: root/scripts/cv-pa-classifications.rb
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#!/usr/bin/env ruby

classifications = {}
File.readlines(ARGV[1]).each do |l|
  smi,c = l.chomp.split(",")
  classifications[smi] = c
end
lines = File.readlines(ARGV[2])
lines.shift
lines.each do |l|
  smi,c = l.chomp.split(",")
  if c == "1"
    classifications[smi] = "PA-mutagenic"
  elsif c == "0"
    classifications[smi] = "PA-nonmutagenic"
  else
    classifications[smi] = "PA-NA"
  end
end
lines=File.readlines(ARGV[0])
lines.shift
lines.each do |l|
  smi,x,y = l.split(",")
  smi.gsub!('"','')
  classifications[smi] ? puts(classifications[smi]) : puts("NA")
end