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authorChristoph Helma <helma@in-silico.ch>2013-04-08 17:58:45 +0200
committerChristoph Helma <helma@in-silico.ch>2013-04-08 17:58:45 +0200
commit2cfe47dbadeb9b013c875500e4f14e9d287f1a1f (patch)
tree222ec5f39864c1bb2bcd818f3e759d9131ecb88c /lib
parent669137532e30d0601e0f47fa903b2c3cc275abba (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.rb1
-rw-r--r--lib/algorithm/similarity.rb2
-rw-r--r--lib/algorithm/transform.rb5
-rw-r--r--lib/lazar.rb10
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