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Diffstat (limited to 'scripts/merge-mutagenicity.rb')
-rwxr-xr-x | scripts/merge-mutagenicity.rb | 30 |
1 files changed, 0 insertions, 30 deletions
diff --git a/scripts/merge-mutagenicity.rb b/scripts/merge-mutagenicity.rb deleted file mode 100755 index 2de7d1c..0000000 --- a/scripts/merge-mutagenicity.rb +++ /dev/null @@ -1,30 +0,0 @@ -#!/usr/bin/env ruby -require 'csv' -require 'json' - -acts = {} -ids = {} -ARGV.each do |csv| - CSV.foreach(csv) do |row| - acts[row[1]] ||= [] - acts[row[1]] << row[2] - ids[row[1]] ||= [] - ids[row[1]] << row[0] - end -end - -contradictions = {} -puts ["SMILES","Mutagenicity"].join(",") -acts.each do |s,a| - if a.uniq.size > 1 - contradictions[s] ||= {} - a.each_with_index do |act,i| - contradictions[s][ids[s][i]] = act - puts [s,act].join "," - end - else - puts [s,a.first].join "," - end -end - -File.open(File.join(File.dirname(__FILE__),"..","data","contradictions.json"),"w+") { |cont| cont.puts contradictions.to_json } |