diff options
author | Christoph Helma <helma@in-silico.ch> | 2013-04-08 17:58:45 +0200 |
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committer | Christoph Helma <helma@in-silico.ch> | 2013-04-08 17:58:45 +0200 |
commit | 2cfe47dbadeb9b013c875500e4f14e9d287f1a1f (patch) | |
tree | 222ec5f39864c1bb2bcd818f3e759d9131ecb88c /lib | |
parent | 669137532e30d0601e0f47fa903b2c3cc275abba (diff) |
debug messsages partially removed, gem depencies updated. tested with ruby 2.0.0p0
Diffstat (limited to 'lib')
-rw-r--r-- | lib/algorithm/feature_values.rb | 1 | ||||
-rw-r--r-- | lib/algorithm/similarity.rb | 2 | ||||
-rw-r--r-- | lib/algorithm/transform.rb | 5 | ||||
-rw-r--r-- | lib/lazar.rb | 10 |
4 files changed, 0 insertions, 18 deletions
diff --git a/lib/algorithm/feature_values.rb b/lib/algorithm/feature_values.rb index 62373e7..9a575a3 100644 --- a/lib/algorithm/feature_values.rb +++ b/lib/algorithm/feature_values.rb @@ -14,7 +14,6 @@ module OpenTox # @return [Array] Array with matching Smarts def self.match(params, subjectid) features = params[:feature_dataset].features.collect{ |f| f[RDF::DC.title] } - puts features.inspect params[:compound].match(features) end diff --git a/lib/algorithm/similarity.rb b/lib/algorithm/similarity.rb index 88eed35..22b4c28 100644 --- a/lib/algorithm/similarity.rb +++ b/lib/algorithm/similarity.rb @@ -15,8 +15,6 @@ module OpenTox # @param [Array] b fingerprints of second compound # @return [Float] Tanimoto similarity def self.tanimoto(a,b) - puts a.inspect - puts b.inspect common_p_sum = 0.0 all_p_sum = 0.0 size = [ a.size, b.size ].min diff --git a/lib/algorithm/transform.rb b/lib/algorithm/transform.rb index c851f73..b2f7e7e 100644 --- a/lib/algorithm/transform.rb +++ b/lib/algorithm/transform.rb @@ -334,13 +334,8 @@ module OpenTox # @param[Array] training_props Propositionalized data for this neighbor # @param[Integer] Index of neighbor def add_neighbor(training_props, idx) - puts idx - #puts training_props.inspect - #puts @q_prop.inspect - #puts @model.acts[idx].to_s unless @model.acts[idx].nil? sim = similarity(training_props) - puts sim if sim > @model.min_sim.to_f @model.neighbors << { :compound => @cmpds[idx], diff --git a/lib/lazar.rb b/lib/lazar.rb index b85c13b..3b8621c 100644 --- a/lib/lazar.rb +++ b/lib/lazar.rb @@ -17,7 +17,6 @@ module OpenTox params.each {|k,v| self.class.class_eval { attr_accessor k.to_sym } instance_variable_set "@#{k}", v - puts "#{k} => #{v}" @prediction_dataset.parameters << {RDF::DC.title => k, RDF::OT.paramValue => v} } ["cmpds", "fps", "acts", "n_prop", "q_prop", "neighbors"].each {|k| @@ -25,13 +24,9 @@ module OpenTox instance_variable_set("@#{k}", []) } - puts "Loading #{@prediction_feature_uri}" @prediction_feature = OpenTox::Feature.new(@prediction_feature_uri,@subjectid) @predicted_variable = OpenTox::Feature.new @predicted_variable_uri, @subjectid @predicted_confidence = OpenTox::Feature.new @predicted_confidence_uri, @subjectid - puts @predicted_variable.inspect - puts @predicted_confidence.inspect - puts "Setting metadata" #@prediction_dataset.metadata = { @prediction_dataset.metadata = { RDF::DC.title => "Lazar prediction for #{@prediction_feature.title}", @@ -41,10 +36,8 @@ module OpenTox RDF::OT.predictedVariables => [@predicted_variable_uri,@predicted_confidence_uri] } - puts "Loading #{@training_dataset_uri}" @training_dataset = OpenTox::Dataset.new(@training_dataset_uri,@subjectid) - puts "Loading #{@feature_dataset_uri}" @feature_dataset = OpenTox::Dataset.new(@feature_dataset_uri, @subjectid) bad_request_error "No features found in feature dataset #{@feature_dataset.uri}." if @feature_dataset.features.empty? @@ -55,14 +48,12 @@ module OpenTox prediction_feature_pos = @training_dataset.features.collect{|f| f.uri}.index @prediction_feature.uri if @dataset_uri - puts "Loading #{@dataset_uri}" compounds = OpenTox::Dataset.new(@dataset_uri,@subjectid).compounds else compounds = [ OpenTox::Compound.new(@compound_uri,@subjectid) ] end compounds.each do |compound| - puts compound.smiles database_activity = @training_dataset.database_activity(params) if database_activity @prediction_dataset.add_data_entry compound, @prediction_feature, database_activity @@ -108,7 +99,6 @@ module OpenTox :min_train_performance => @min_train_performance } ) - puts prediction.inspect predicted_value = prediction[:prediction].to_f confidence_value = prediction[:confidence].to_f |