diff options
Diffstat (limited to 'scripts/create-median-correlation.rb')
| -rwxr-xr-x | scripts/create-median-correlation.rb | 20 |
1 files changed, 9 insertions, 11 deletions
diff --git a/scripts/create-median-correlation.rb b/scripts/create-median-correlation.rb index 9a2f6f5..2b932d0 100755 --- a/scripts/create-median-correlation.rb +++ b/scripts/create-median-correlation.rb @@ -1,13 +1,15 @@ -require_relative 'include.rb' +#!/usr/bin/env ruby +require_relative '../../lazar/lib/lazar' +include OpenTox -old = Dataset.from_csv_file File.join(DATA,"mazzatorta.csv") -new = Dataset.from_csv_file File.join(DATA,"swiss.csv") +old = Dataset.from_csv_file File.join("data","mazzatorta_log10.csv") +new = Dataset.from_csv_file File.join("data","swiss_log10.csv") -common_compound_ids = (old.compound_ids & new.compound_ids).uniq +common_compounds = (old.compounds & new.compounds).uniq data = [] -common_compound_ids.each do |cid| - c = Compound.find cid +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) identical = old_values & new_values @@ -21,8 +23,4 @@ common_compound_ids.each do |cid| end data.sort!{|a,b| a[1] <=> b[1]} - -CSV.open(File.join(DATA,"median-correlation.csv"),"w+") do |csv| - csv << ["SMILES","mazzatorta","swiss"] - data.each{|r| csv << r} -end +puts data.collect{|r| r.join ","}.join("\n") |