1 files changed, 0 insertions, 42 deletions
diff --git a/scripts/kazius2csv.rb b/scripts/kazius2csv.rb
deleted file mode 100755
index 52b78c1..0000000
--- a/scripts/kazius2csv.rb
+++ /dev/null
@@ -1,42 +0,0 @@
-#!/usr/bin/env ruby
-require_relative '../../lazar/lib/lazar.rb'
-
-sdfs = []
-results = []
-read_result = false
-@sdf = ""
-File.readlines(ARGV[0]).each do |line|
-  if line.match %r{\$\$\$\$}
-    @sdf << line
-    sdfs << @sdf
-    @sdf = ""
-  elsif line.match ">  <Ames test categorisation>"
-    read_result = true
-  else
-      #p line
-    if read_result
-      if line.chomp == "mutagen"
-        results << 1
-      elsif line.chomp == "nonmutagen"
-        results << 0
-      else
-        results << line.chomp
-      end
-      read_result = false
-    else
-      @sdf << line
-    end
-  end
-end
-
-obconversion = OpenBabel::OBConversion.new
-obconversion.set_in_and_out_formats "sdf","can"
-obmol = OpenBabel::OBMol.new
-
-sdfs.each_with_index do |sdf,i|
-  cas = sdf.split("\n").first.chomp
-  obconversion.read_string obmol,sdf
-  s = obconversion.write_string(obmol).split.first
-  puts ["kazius_#{cas}",s,results[i]].join ","
-end
-