final revisionHEADmaster

1 files changed, 9 insertions, 0 deletions

diff --git a/scripts/data.rb b/scripts/data.rb
index 72e6b28..d24e46b 100755
--- a/scripts/data.rb
+++ b/scripts/data.rb
@@ -6,6 +6,15 @@ data = {}
   data.merge!(YAML.load_file(File.join(dir,"summary.yaml")))
 end
 
+mut = {}
+File.readlines("mutagenicity/mutagenicity.csv").each do |line|
+  smi, m = line.chomp.split(",")
+  mut[smi] ||= []
+  mut[smi] << m
+end
+
+data[:cv][:n_mult] = mut.select{|s,m| m.size > 1}.size
+
 data[:cv][:n] = `cut -f1 -d ',' mutagenicity/mutagenicity.csv | wc -l`.chomp.to_i - 1
 data[:cv][:n_uniq] = `cut -f1 -d ',' mutagenicity/mutagenicity.csv | sort -u | wc -l`.chomp.to_i - 1