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#!/usr/bin/env ruby
puts '
\definecolor{red}{rgb}{1,0,0}
\definecolor{lightred}{rgb}{0.5,0,0}
\definecolor{green}{rgb}{0,1,0}
\definecolor{lightgreen}{rgb}{0,0.5,0}
\definecolor{grey}{rgb}{0.5,0.5,0.5}
\tiny
\begin{longtable}{rcccccc}
\caption{Summary of pyrrolizidine alkaloid predictions: red: mutagen, green: non-mutagen, grey: no prediction, dark red|green: low confidence} \\\\
\label{tab:pa}
& & \multicolumn{2}{c}{lazar} & \multicolumn{3}{c}{R} \\\\
'
#header = ["ID","measured","lazar"]
header = ["ID","Measured","MP2D","PaDEL"]
tab = []
=begin
File.read("pyrrolizidine-alkaloids/180920_PA_complete_SMILES.csv").each_line do |l|
unless l.match("SMILES")
#tab << '\verb '+l.chomp.split(";")[2].sub('1: ','')#+'}'
tab << l.chomp.split(";")[0]
end
end
i = 0
=end
File.read("pyrrolizidine-alkaloids/lazar/pa-mp2d-predictions.csv").each_line do |l|
unless l.match("SMILES")
id,smi,exp,mut,p0,p1,max_sim,nn = l.chomp.split(",")
row = id
if exp == "1"
row += ' & \cellcolor{red} '
elsif exp == "0"
row += ' & \cellcolor{green} '
else
row += ' & \cellcolor{grey} '
end
if mut == "1"
max_sim.to_f < 0.5 ? row += '& \cellcolor{lightred} ' : row += '& \cellcolor{red} '
elsif mut == "0"
max_sim.to_f < 0.5 ? row += '& \cellcolor{lightgreen} ' : row += '& \cellcolor{green} '
else #if mut.nil? or mut.empty?
row += '& \cellcolor{grey} '
end
tab << row
#i += 1
end
end
i=0
File.read("pyrrolizidine-alkaloids/lazar/pa-padel-predictions.csv").each_line do |l|
smi,exp,mut,p0,p1,max_sim,nn = l.chomp.split(",")
#p mut
if mut == "1"
max_sim.to_f < 0.5 ? tab[i] += '& \cellcolor{lightred} ' : tab[i] += '& \cellcolor{red} '
elsif mut == "0"
max_sim.to_f < 0.5 ? tab[i] += '& \cellcolor{lightgreen} ' : tab[i] += '& \cellcolor{green} '
else #if mut.nil? or mut.empty?
tab[i] += '& \cellcolor{grey} '
end
i += 1
end
Dir["pyrrolizidine-alkaloids/PA.*.outcome.csv"].each do |r|
header << r.sub('pyrrolizidine-alkaloids/PA.','').sub('.outcome.csv','')
i = 0
File.read(r).each_line do |l|
if i > 0
items = l.chomp.split(";")
items.shift
if items.uniq.include? "1"
tab[i-1] << ' & \cellcolor{red}'
elsif items.uniq.include? "0"
tab[i-1] << ' & \cellcolor{green}'
end
end
i += 1
end
end
#tab.collect!{|t| t + '\cellcolor{grey} \\\\'}
puts header.join(" & ")+" \\\\"
puts '\hline'
puts '\renewcommand{\arraystretch}{0.075}'
tab.collect!{|t| t + ''}
puts tab.join(" \\\\ \n")
puts '
\end{longtable}
\normalsize
'
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