From d6eced29e104b9bc1923b2ac89b2700a48adf07a Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Fri, 8 Jan 2016 11:00:20 +0100 Subject: mg-mmol conversion fixed --- lib/dataset.rb | 17 ++++++++++++++--- 1 file changed, 14 insertions(+), 3 deletions(-) (limited to 'lib/dataset.rb') diff --git a/lib/dataset.rb b/lib/dataset.rb index 366c79f..55cde63 100644 --- a/lib/dataset.rb +++ b/lib/dataset.rb @@ -126,6 +126,17 @@ module OpenTox end # Diagnostics + + def duplicates feature=self.features.first + col = feature_ids.index feature.id + dups = {} + compound_ids.each_with_index do |cid,i| + rows = compound_ids.each_index.select{|r| compound_ids[r] == cid } + values = rows.collect{|row| data_entries[row][col]} + dups[cid] = values if values.size > 1 + end + dups + end def correlation_plot training_dataset # TODO: create/store svg @@ -162,10 +173,10 @@ module OpenTox # TODO #def self.from_sdf_file #end - + # Create a dataset from CSV file # TODO: document structure - def self.from_csv_file file, source=nil, bioassay=true + def self.from_csv_file file, source=nil, bioassay=true#, layout={} source ||= file name = File.basename(file,".*") dataset = self.find_by(:source => source, :name => name) @@ -175,7 +186,7 @@ module OpenTox $logger.debug "Parsing #{file}." table = CSV.read file, :skip_blanks => true, :encoding => 'windows-1251:utf-8' dataset = self.new(:source => source, :name => name) - dataset.parse_table table, bioassay + dataset.parse_table table, bioassay#, layout end dataset end -- cgit v1.2.3