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-rwxr-xr-xscripts/create-median-correlation.rb6
1 files changed, 4 insertions, 2 deletions
diff --git a/scripts/create-median-correlation.rb b/scripts/create-median-correlation.rb
index 2b932d0..5a68be6 100755
--- a/scripts/create-median-correlation.rb
+++ b/scripts/create-median-correlation.rb
@@ -8,7 +8,6 @@ new = Dataset.from_csv_file File.join("data","swiss_log10.csv")
common_compounds = (old.compounds & new.compounds).uniq
data = []
-puts ["SMILES","mazzatorta","swiss"].join(",")
common_compounds.each do |c|
old_values = old.values(c,old.features.first)
new_values = new.values(c,new.features.first)
@@ -23,4 +22,7 @@ common_compounds.each do |c|
end
data.sort!{|a,b| a[1] <=> b[1]}
-puts data.collect{|r| r.join ","}.join("\n")
+File.open(File.join("data","median-correlation.csv","w+")) do |f|
+ f.puts ["SMILES","mazzatorta","swiss"].join(",")
+ f.puts data.collect{|r| r.join ","}.join("\n")
+end