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-rw-r--r--lib/lazar.rb11
1 files changed, 0 insertions, 11 deletions
diff --git a/lib/lazar.rb b/lib/lazar.rb
index 2416569..bd1c7f2 100644
--- a/lib/lazar.rb
+++ b/lib/lazar.rb
@@ -141,17 +141,6 @@ module OpenTox
@training_compounds = @training_dataset.compounds
feature_names = @feature_dataset.features.collect{ |f| f[RDF::DC.title] }
- # one Cdk descriptor may produce several features, e.g., Cdk.WienerNumbers produces Cdk.WienerNumbers.WPATH and Cdk.WienerNumbers.WPOL
- # -> strip suffix and use the feature only once
- feature_names = feature_names.collect do |f|
- if f=~/Cdk/ and f.count(".")==2
- f[0..(f.rindex(".")-1)]
- else
- f
- end
- end
- feature_names.uniq!
-
query_fingerprints = OpenTox::Algorithm::Descriptor.send( @feature_calculation_algorithm, compounds, feature_names )#.collect{|row| row.collect{|val| val ? val.to_f : 0.0 } }
compounds.each do |compound|