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#!/usr/bin/env ruby
require_relative '../lazar/lib/lazar'
include OpenTox
newfile = ARGV[0].sub(/.csv/,"_mmol.csv")
p newfile
CSV.open(newfile, "wb") do |csv|
CSV.read(ARGV[0]).each do |line|
smi,mg = line
if mg.numeric?
c = Compound.from_smiles smi
mmol = c.mg_to_mmol mg.to_f
csv << [smi, mmol]
else
csv << [smi, mg.gsub(/mg/,'mmol')]
end
end
end
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