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#!/usr/bin/env ruby
dir = ARGV[0]
fp = []
endpoint_name = File.read(File.join dir,"dependent_variable_name").chomp
endpoints = File.open(File.join dir,"dependent_variables").readlines.collect{|v| v.to_i}
endpoint_values = File.open(File.join dir,"dependent_variable_values").readlines
smiles = []
File.open(File.join dir,"independent_variables").each_line do |l|
l = l.chomp.split(",")
smiles << l.shift
fp << l
end
fp_names = fp.flatten.sort.uniq
header = ["Canonical SMILES"]+fp_names+[endpoint_name]
puts header.join(",")
(0..smiles.size-1).each do |i|
line = [smiles[i]]+fp_names.collect{|n| fp[i].include?(n) ? 1 : 0}+[endpoint_values[endpoints[i]]]
puts line.join(",")
end
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