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require 'rubygems'
require 'opentox-ruby'
require 'test/unit'
class Float
def round_to(x)
(self * 10**x).round.to_f / 10**x
end
end
class LazarTest < Test::Unit::TestCase
=begin
=end
def test_create_regression_model
model_uri = OpenTox::Algorithm::Lazar.new.run({:dataset_uri => @@regression_training_dataset.uri, :subjectid => @@subjectid}).to_s
lazar = OpenTox::Model::Lazar.find model_uri, @@subjectid
assert_equal 225, lazar.features.size
compound = OpenTox::Compound.from_smiles("c1ccccc1NN")
#puts lazar.uri
#puts compound.inspect
#puts "prediction"
#puts prediction.value(compound).inspect
prediction_uri = lazar.run(:compound_uri => compound.uri, :subjectid => @@subjectid)
#puts prediction_uri
prediction = OpenTox::LazarPrediction.find(prediction_uri, @@subjectid)
assert_equal prediction.value(compound).round_to(4), 0.1618.round_to(4)
assert_equal prediction.confidence(compound).round_to(4), 0.6114.round_to(4)
assert_equal prediction.neighbors(compound).size, 81
prediction.delete(@@subjectid)
lazar.delete(@@subjectid)
end
def test_default_classification_model
# create model
model_uri = OpenTox::Algorithm::Lazar.new.run({:dataset_uri => @@classification_training_dataset.uri, :subjectid => @@subjectid}).to_s
lazar = OpenTox::Model::Lazar.find model_uri, @@subjectid
assert_equal lazar.features.size, 41
# single prediction
compound = OpenTox::Compound.from_smiles("c1ccccc1NN")
prediction_uri = lazar.run(:compound_uri => compound.uri, :subjectid => @@subjectid)
#puts prediction_uri
prediction = OpenTox::LazarPrediction.find(prediction_uri, @@subjectid)
puts prediction.inspect
assert_equal prediction.value(compound), false
assert_equal prediction.confidence(compound).round_to(4), 0.3005.round_to(4)
assert_equal prediction.neighbors(compound).size, 15
prediction.delete(@@subjectid)
# dataset activity
compound = OpenTox::Compound.from_smiles("CNN")
prediction_uri = lazar.run(:compound_uri => compound.uri, :subjectid => @@subjectid)
prediction = OpenTox::LazarPrediction.find prediction_uri, @@subjectid
assert !prediction.measured_activities(compound).empty?
#puts prediction.measured_activities(compound).first.inspect
assert_equal prediction.measured_activities(compound).first, true
assert prediction.value(compound).nil?
prediction.delete(@@subjectid)
# dataset prediction
test_dataset = OpenTox::Dataset.create_from_csv_file("data/multicolumn.csv", @@subjectid)
prediction = OpenTox::LazarPrediction.find lazar.run(:dataset_uri => test_dataset.uri, :subjectid => @@subjectid), @@subjectid
assert_equal prediction.compounds.size, 4
compound = OpenTox::Compound.new prediction.compounds.first
#puts "compound"
#puts compound.inspect
#puts prediction.value(compound).inspect
assert_equal prediction.value(compound), false
prediction.delete(@@subjectid)
lazar.delete(@@subjectid)
end
=begin
=end
end
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