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authorChristoph Helma <helma@in-silico.ch>2011-03-10 15:51:46 +0100
committerChristoph Helma <helma@in-silico.ch>2011-03-10 15:51:46 +0100
commit1365f9e0fb2bec61ac8a8ed580eedac9cc5552ac (patch)
tree73c45b88f02d072ea752fe68379667567ca33f7c
parent03a173c9a19b5345080f90d724687761cdeb0fcd (diff)
tests passing for tag v1.0.0
-rw-r--r--lazar.rb81
1 files changed, 38 insertions, 43 deletions
diff --git a/lazar.rb b/lazar.rb
index d4cdc36..1eb7645 100644
--- a/lazar.rb
+++ b/lazar.rb
@@ -8,67 +8,62 @@ class Float
end
end
-class LazarTest < Test::Unit::TestCase
+class LazarRegressionTest < 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
+ @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)
+ prediction_uri = @lazar.run(:compound_uri => compound.uri, :subjectid => @@subjectid).to_s
+ @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
+end
+
+class LazarClassificationTest < Test::Unit::TestCase
+ def test_classification_model
- 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
+ @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)
+ prediction_uri = @lazar.run(:compound_uri => compound.uri, :subjectid => @@subjectid)
+ @prediction = OpenTox::LazarPrediction.find(prediction_uri, @@subjectid)
+ 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)
+ prediction_uri = @lazar.run(:compound_uri => compound.uri, :subjectid => @@subjectid)
+ @prediction = OpenTox::LazarPrediction.find prediction_uri, @@subjectid
+ assert !@prediction.measured_activities(compound).empty?
+ 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)
+ @prediction = OpenTox::LazarPrediction.find @lazar.run(:dataset_uri => test_dataset.uri, :subjectid => @@subjectid), @@subjectid
+ assert_equal @prediction.compounds.size, 4
+ compound = OpenTox::Compound.new "http://ot-dev.in-silico.ch/compound/InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)"
+ assert_equal @prediction.value(compound), nil
+ assert_equal @prediction.measured_activities(compound).first, true
+ @prediction.delete(@@subjectid)
+ @lazar.delete(@@subjectid)
end
+
=begin
=end
-
end