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Diffstat (limited to 'scripts/efsa2csv.rb')
-rwxr-xr-x | scripts/efsa2csv.rb | 28 |
1 files changed, 0 insertions, 28 deletions
diff --git a/scripts/efsa2csv.rb b/scripts/efsa2csv.rb deleted file mode 100755 index 48d4fb8..0000000 --- a/scripts/efsa2csv.rb +++ /dev/null @@ -1,28 +0,0 @@ -#!/usr/bin/env ruby -require 'csv' -require_relative '../../lazar/lib/lazar.rb' - -i = 0 -db = {} -CSV.foreach(ARGV[0], :encoding => "UTF-8", :col_sep => "\t", :liberal_parsing => true) do |row| - #STDERR.puts i if i%100 == 0 - if i > 0 and row[11] and !row[11].empty? and row[24].match(/Salmonella/i) and ( row[25].match("TA 98") or row[25].match("TA 100") ) and row[33] - begin - c = OpenTox::Compound.from_smiles(row[11].gsub('"','')).smiles - rescue - c = OpenTox::Compound.from_inchi(row[12]).smiles # some smiles (row[11]) contain non-parseable characters - end - db[c] ||= {} - db[c][:id] ||= "efsa_#{row[2]}" - if row[33].match(/Positiv/i) - db[c][:value] = 1 # at least one positive result in TA 98 or TA 100 - elsif row[33].match(/Negativ/i) - db[c][:value] ||= 0 - end - end - i += 1 -end - -db.each do |s,v| - puts [v[:id],s,v[:value]].join "," -end |