#!/usr/bin/env ruby
require_relative "../../lazar/lib/similarity.rb"

independent_variables = []
smiles = []
ARGV.each do |f|
  File.readlines(f).each do |l|
    items = l.chomp.split ","
    smiles << items.shift
    independent_variables << items
  end
end

dist = []
independent_variables.each_with_index do |v1,i|
  dist << []
  line = []
  independent_variables.each_with_index do |v2,j|
    if j > i
      d = 1-Similarity.tanimoto([v1,v2])
      dist[i][j] = d
    elsif i == j
      d = 0
    else
      d = dist[j][i]
    end
    line << d
  end
  puts ([smiles[i]]+line).join(",")
end