#!/usr/bin/env ruby require_relative '../lib/lazar' include OpenTox newfile = ARGV[0].sub(/.csv/,"_log10.csv") p newfile i = 1 CSV.open(newfile, "wb") do |csv| CSV.read(ARGV[0]).each do |line| smi,mmol = line if mmol.numeric? c = Compound.from_smiles smi mmol = -Math.log10(mmol.to_f) csv << [smi, mmol] else #csv << [smi, "-log10(#{mmol})"] p "Line #{i}: '#{mmol}' is not a numeric value." csv << [smi, ""] end i += 1 end end