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require_relative "include.rb"
old = Dataset.from_csv_file File.join(DATA,"mazzatorta.csv")
new = Dataset.from_csv_file File.join(DATA,"swiss.csv")
common_compound_ids = (old.compound_ids & new.compound_ids).uniq
data = []
common_compound_ids.each do |cid|
c = Compound.find cid
old_values = old.values(c,old.features.first)
new_values = new.values(c,new.features.first)
identical = old_values & new_values
unless identical.empty?
old_values -= identical
new_values -= identical
end
identical.each do |v|
data << [c.smiles,v,"mazzatorta, swiss"]
end
old_values.each do |v|
data << [c.smiles,v,"mazzatorta"]
end
new_values.each do |v|
data << [c.smiles,v,"swiss"]
end
end
data.sort!{|a,b| a[1] <=> b[1]}
CSV.open(File.join(DATA,"test.csv"),"w+") do |csv|
csv << ["SMILES","LOAEL","Dataset"]
data.each{|r| csv << r}
end
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