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#!/usr/bin/env ruby
require "csv"
require "uri"
require "./config.rb"
unless ARGV.size==3 and (DATA-["LOAEL-mg"]).include?(ARGV[0]) and ARGV[1]=~/features|compounds/
$stderr.puts "\nfirst-param: dataset-name from "+(DATA-["LOAEL-mg"]).inspect
$stderr.puts "second-param: features|compounds"
$stderr.puts "third-param: <num>"
$stderr.puts ""
$stderr.puts "second param specifies if features or compounds that differ should be printed"
$stderr.puts "third param specifies num features/compounds that are printed\n\n"
abort
end
d = ARGV[0]
transposed = (ARGV[1]=~/features/)
num_print = ARGV[2].to_i
file_feat = "data/05/#{d}_new-features.csv"
file_orig = "data/02/#{d}_orig-features.csv"
puts "comparing #{file_feat} and #{file_orig}"
@inchis = []
feat = []
CSV.foreach(file_feat) do |row|
feat << row
end
orig = []
# CSV.foreach("data/#{d}_orig-features-quotes.csv") do |row|
CSV.foreach(file_orig) do |row|
#CSV.foreach("data/#{d}_noarom-features.csv") do |row|
orig << row
end
match = 0
total = 0
orig_nil = 0
new_nil = 0
orig_0 = 0
new_0 = 0
diff = 0
epsilon_ratio = 0.1
dev = []
raise if feat.size!=orig.size
(0..feat.size-1).each do |r|
dev << feat[r] if (r==0)
raise "num columns in row #{r} differ, #{feat[r].size} != #{orig[r].size}" if feat[r].size!=orig[r].size
raise "inchis differ #{feat[r][0]} != #{orig[r][0]}" if feat[r][0]!=orig[r][0]
if r>0
dev_per_compound = [feat[r][0]]
(1..feat[r].size-1).each do |c|
total += 1
f_missing = feat[r][c]==nil || feat[r][c].to_s.size==0
o_missing = orig[r][c]==nil || orig[r][c].to_s.size==0
if (f_missing != o_missing)
# $stderr.puts "one value for #{feat[0][c]}/#{orig[0][c]} is missing, new features: #{feat[r][c]} != orig features: #{orig[r][c]}, inchi: #{orig[r][0]}"
if f_missing
dev_ratio = 10
new_nil+=1
else
dev_ratio = 20
orig_nil+=1
end
else
f = feat[r][c].to_f
o = orig[r][c].to_f
if ((f==0.0 and o!=0.0) or (f!=0.0 and o==0.0))
if (f==0.0 and o!=0.0)
dev_ratio = 11
new_0+=1
else
dev_ratio = 21
orig_0+=1
end
else
dev_ratio = 1 - [f.abs,o.abs].min/[f.abs,o.abs].max
if (f!=o && dev_ratio > epsilon_ratio)
# $stderr.puts "deviation to high for #{feat[0][c]}/#{orig[0][c]}, new features: #{feat[r][c]} != orig features: #{orig[r][c]}, inchi: #{orig[r][0]}, deviation #{dev_ratio}"
diff += 1
else
dev_ratio = 0
match += 1
end
end
end
dev_per_compound << dev_ratio
end
# puts dev_per_compound.inspect
dev << dev_per_compound
end
end
puts "matching values #{match}/#{total} #{(match/total.to_f*100.0).round}%"
puts "no matches:"
puts "#{orig_nil} orig-nil"
puts "#{new_nil} new-nil"
puts "#{orig_0} orig-0"
puts "#{new_0} new-0"
puts "#{diff} delta > #{epsilon_ratio*100}%"
puts ""
class Array
def max1_sum
inject(0.0) { |result, el| result + [1,el].min }
end
def abs_mean
max1_sum / size
end
end
dev = dev.transpose if transposed
puts ""
dev.shift
dev.sort!{ |b,a| a[1..-1].abs_mean <=> b[1..-1].abs_mean }
puts "top #{num_print} diffing #{transposed ? "features" : "compounds"} (numbers is diff between values in percent): "
num_print.times do |i|
d = dev[i].collect do |x|
unless x.is_a?(Numeric)
x
else
if x==20
"orig-nil"
elsif x==10
"new-nil"
elsif x==21
"orig-0"
elsif x==11
"new-0"
else
(x*100).round
end
end
end
puts d.inspect
end
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