1 files changed, 26 insertions, 0 deletions
diff --git a/scripts/cv-pa-classifications.rb b/scripts/cv-pa-classifications.rb
new file mode 100755
index 0000000..fe64078
--- /dev/null
+++ b/scripts/cv-pa-classifications.rb
@@ -0,0 +1,26 @@
+#!/usr/bin/env ruby
+
+classifications = {}
+File.readlines(ARGV[1]).each do |l|
+  smi,c = l.chomp.split(",")
+  classifications[smi] = c
+end
+lines = File.readlines(ARGV[2])
+lines.shift
+lines.each do |l|
+  smi,c = l.chomp.split(",")
+  if c == "1"
+    classifications[smi] = "PA-mutagenic"
+  elsif c == "0"
+    classifications[smi] = "PA-nonmutagenic"
+  else
+    classifications[smi] = "PA-NA"
+  end
+end
+lines=File.readlines(ARGV[0])
+lines.shift
+lines.each do |l|
+  smi,x,y = l.split(",")
+  smi.gsub!('"','')
+  classifications[smi] ? puts(classifications[smi]) : puts("NA")
+end