From 1365f9e0fb2bec61ac8a8ed580eedac9cc5552ac Mon Sep 17 00:00:00 2001
From: Christoph Helma <helma@in-silico.ch>
Date: Thu, 10 Mar 2011 15:51:46 +0100
Subject: tests passing for tag v1.0.0

---
 lazar.rb | 81 ++++++++++++++++++++++++++++++----------------------------------
 1 file 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
-- 
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