diff options
author | Christoph Helma <helma@in-silico.ch> | 2016-01-08 11:00:20 +0100 |
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committer | Christoph Helma <helma@in-silico.ch> | 2016-01-08 11:00:20 +0100 |
commit | d6eced29e104b9bc1923b2ac89b2700a48adf07a (patch) | |
tree | 2323f6d57b172ff40a42a0de0aca648804625fb1 /lib/dataset.rb | |
parent | e63e97086ac05e7a86f1a53bdcbc72eec0cabf16 (diff) |
mg-mmol conversion fixed
Diffstat (limited to 'lib/dataset.rb')
-rw-r--r-- | lib/dataset.rb | 17 |
1 files changed, 14 insertions, 3 deletions
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 |