new scripts and files added

1 files changed, 31 insertions, 0 deletions

diff --git a/scripts/lazar-cv-predictions.rb b/scripts/lazar-cv-predictions.rb
new file mode 100755
index 0000000..9236bec
--- /dev/null
+++ b/scripts/lazar-cv-predictions.rb
@@ -0,0 +1,31 @@
+#!/usr/bin/env ruby
+
+predictions = {}
+minsim = ARGV[1].to_f
+minsim ||= 0
+Dir[File.join(ARGV[0],"crossvalidation","*","test","predictions")].each do |pred|
+  File.readlines(pred).each_with_index do |l,i|
+    smi,m,pred,pa,pi,maxsim,n = l.split(",")
+    predictions[smi] = [pred,maxsim.to_f]
+  end
+end
+lines = File.readlines(File.join("mutagenicity","mutagenicity.csv"))
+lines.shift
+lines.each do |line|
+  smi,exp = line.chomp.split(",")
+  if predictions[smi]
+    if predictions[smi].first == "1" and exp == "1" and predictions[smi].last >= minsim
+      puts [smi,"TP"].join(",")
+    elsif predictions[smi].first == "0" and exp == "0" and predictions[smi].last >= minsim
+      puts [smi,"TN"].join(",")
+    elsif predictions[smi].first == "1" and exp == "0" and predictions[smi].last >= minsim
+      puts [smi,"FP"].join(",")
+    elsif predictions[smi].first == "0" and exp == "1" and predictions[smi].last >= minsim
+      puts [smi,"FN"].join(",")
+    else
+      puts [smi,"NA"].join(",")
+    end
+  else
+    puts [smi,"NA"].join(",")
+  end
+end