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|
#!/usr/bin/env ruby
require 'yaml'
summary = {
:n => 0,
:lazar => {
:mp2d => {
:all => {
:n => 0,
:mut => 0,
:non_mut => 0
},
:high_confidence => {
:n => 0,
:mut => 0,
:non_mut => 0
}
},
:padel => {
:all => {
:n => 0,
:mut => 0,
:non_mut => 0
},
:high_confidence => {
:n => 0,
:mut => 0,
:non_mut => 0
}
},
},
:r => {
:rf => {
:n => 0,
:mut => 0,
:non_mut => 0
},
:svm => {
:n => 0,
:mut => 0,
:non_mut => 0
},
:dl => {
:n => 0,
:mut => 0,
:non_mut => 0
},
},
:tf => {
:rf => {
:n => 0,
:mut => 0,
:non_mut => 0
},
:lr_sgd => {
:n => 0,
:mut => 0,
:non_mut => 0
},
:lr_scikit => {
:n => 0,
:mut => 0,
:non_mut => 0
},
:nn => {
:n => 0,
:mut => 0,
:non_mut => 0
},
},
}
n = 0
File.read(ARGV[0]).each_line do |l|
unless l.match("SMILES")
id,cid,smi,cansmi,exp,lazar_MP2D,lazar_MP2D_high_confidence,lazar_PaDEL,lazar_PaDEL_high_confidence,r_DL,r_RF,r_SVM,tf_lr_sgd,tf_lr_scikit,tf_NN,tf_RF = l.chomp.split(",")
if lazar_MP2D == "1"
summary[:lazar][:mp2d][:all][:n] += 1
summary[:lazar][:mp2d][:all][:mut] += 1
if lazar_MP2D_high_confidence == "T"
summary[:lazar][:mp2d][:high_confidence][:n] += 1
summary[:lazar][:mp2d][:high_confidence][:mut] += 1
end
elsif lazar_MP2D == "0"
summary[:lazar][:mp2d][:all][:n] += 1
summary[:lazar][:mp2d][:all][:non_mut] += 1
if lazar_MP2D_high_confidence == "T"
summary[:lazar][:mp2d][:high_confidence][:n] += 1
summary[:lazar][:mp2d][:high_confidence][:non_mut] += 1
end
end
if lazar_PaDEL == "1"
summary[:lazar][:padel][:all][:n] += 1
summary[:lazar][:padel][:all][:mut] += 1
if lazar_PaDEL_high_confidence == "T"
summary[:lazar][:padel][:high_confidence][:n] += 1
summary[:lazar][:padel][:high_confidence][:mut] += 1
end
elsif lazar_PaDEL == "0"
summary[:lazar][:padel][:all][:n] += 1
summary[:lazar][:padel][:all][:non_mut] += 1
if lazar_PaDEL_high_confidence == "T"
summary[:lazar][:padel][:high_confidence][:n] += 1
summary[:lazar][:padel][:high_confidence][:non_mut] += 1
end
end
if r_DL == "1"
summary[:r][:dl][:n] += 1
summary[:r][:dl][:mut] += 1
elsif r_DL == "0"
summary[:r][:dl][:n] += 1
summary[:r][:dl][:non_mut] += 1
end
if r_RF == "1"
summary[:r][:rf][:n] += 1
summary[:r][:rf][:mut] += 1
elsif r_RF == "0"
summary[:r][:rf][:n] += 1
summary[:r][:rf][:non_mut] += 1
end
if r_SVM == "1"
summary[:r][:svm][:n] += 1
summary[:r][:svm][:mut] += 1
elsif r_SVM == "0"
summary[:r][:svm][:n] += 1
summary[:r][:svm][:non_mut] += 1
end
if tf_lr_sgd == "1"
summary[:tf][:lr_sgd][:n] += 1
summary[:tf][:lr_sgd][:mut] += 1
elsif tf_lr_sgd == "0"
summary[:tf][:lr_sgd][:n] += 1
summary[:tf][:lr_sgd][:non_mut] += 1
end
if tf_lr_scikit == "1"
summary[:tf][:lr_scikit][:n] += 1
summary[:tf][:lr_scikit][:mut] += 1
elsif tf_lr_scikit == "0"
summary[:tf][:lr_scikit][:n] += 1
summary[:tf][:lr_scikit][:non_mut] += 1
end
if tf_RF == "1"
summary[:tf][:rf][:n] += 1
summary[:tf][:rf][:mut] += 1
elsif tf_RF == "0"
summary[:tf][:rf][:n] += 1
summary[:tf][:rf][:non_mut] += 1
end
if tf_NN == "1"
summary[:tf][:nn][:n] += 1
summary[:tf][:nn][:mut] += 1
elsif tf_NN == "0"
summary[:tf][:nn][:n] += 1
summary[:tf][:nn][:non_mut] += 1
end
summary[:n] += 1
end
end
summary[:lazar][:mp2d][:all][:n_perc] = (100.0*summary[:lazar][:mp2d][:all][:n]/summary[:n]).round
summary[:lazar][:mp2d][:all][:mut_perc] = (100.0*summary[:lazar][:mp2d][:all][:mut]/summary[:lazar][:mp2d][:all][:n]).round
summary[:lazar][:mp2d][:all][:non_mut_perc] = (100.0*summary[:lazar][:mp2d][:all][:non_mut]/summary[:lazar][:mp2d][:all][:n]).round
summary[:lazar][:mp2d][:high_confidence][:n_perc] = (100.0*summary[:lazar][:mp2d][:high_confidence][:n]/summary[:n]).round
summary[:lazar][:mp2d][:high_confidence][:mut_perc] = (100.0*summary[:lazar][:mp2d][:high_confidence][:mut]/summary[:lazar][:mp2d][:high_confidence][:n]).round
summary[:lazar][:mp2d][:high_confidence][:non_mut_perc] = (100.0*summary[:lazar][:mp2d][:high_confidence][:non_mut]/summary[:lazar][:mp2d][:high_confidence][:n]).round
summary[:lazar][:padel][:all][:n_perc] = (100.0*summary[:lazar][:padel][:all][:n]/summary[:n]).round
summary[:lazar][:padel][:all][:mut_perc] = (100.0*summary[:lazar][:padel][:all][:mut]/summary[:lazar][:padel][:all][:n]).round
summary[:lazar][:padel][:all][:non_mut_perc] = (100.0*summary[:lazar][:padel][:all][:non_mut]/summary[:lazar][:padel][:all][:n]).round
summary[:lazar][:padel][:high_confidence][:n_perc] = (100.0*summary[:lazar][:padel][:high_confidence][:n]/summary[:n]).round
if summary[:lazar][:padel][:high_confidence][:n] == 0
summary[:lazar][:padel][:high_confidence][:mut_perc] = 0
summary[:lazar][:padel][:high_confidence][:non_mut_perc] = 0
else
summary[:lazar][:padel][:high_confidence][:mut_perc] = (100.0*summary[:lazar][:padel][:high_confidence][:mut]/summary[:lazar][:padel][:high_confidence][:n]).round
summary[:lazar][:padel][:high_confidence][:non_mut_perc] = (100.0*summary[:lazar][:padel][:high_confidence][:non_mut]/summary[:lazar][:padel][:high_confidence][:n]).round
end
[:rf,:svm,:dl].each do |a|
summary[:r][a][:n_perc] = (100.0*summary[:r][a][:n]/summary[:n]).round
summary[:r][a][:mut_perc] = (100.0*summary[:r][a][:mut]/summary[:r][a][:n]).round
summary[:r][a][:non_mut_perc] = (100.0*summary[:r][a][:non_mut]/summary[:r][a][:n]).round
end
[:rf,:lr_sgd,:lr_scikit,:nn].each do |a|
summary[:tf][a][:n_perc] = (100.0*summary[:tf][a][:n]/summary[:n]).round
summary[:tf][a][:mut_perc] = (100.0*summary[:tf][a][:mut]/summary[:tf][a][:n]).round
summary[:tf][a][:non_mut_perc] = (100.0*summary[:tf][a][:non_mut]/summary[:tf][a][:n]).round
end
summary = {:pa => summary}
puts summary.to_yaml
|
