Merge branch 'development' into release/v2.1.0

2 files changed, 48 insertions, 48 deletions

diff --git a/fminer.rb b/fminer.rb
index ade99a4..d553ac7 100644
--- a/fminer.rb
+++ b/fminer.rb
@@ -68,7 +68,7 @@ class FminerTest < Test::Unit::TestCase
     feature = File.join @@regression_training_dataset.uri,"feature/LC50_mmol" 
     @dataset_uri = OpenTox::Algorithm::Fminer::BBRC.new.run({:dataset_uri => @@regression_training_dataset.uri, :prediction_feature => feature, :subjectid => @@subjectid, :feature_type=>"paths"}).to_s
     dump
-    assert_equal 177, @dataset.features.size # 32 bit
+    assert_equal 132, @dataset.features.size # 32 bit
     #assert_equal 219, @dataset.features.size
     
     # assert no hit counts present
@@ -76,13 +76,13 @@ class FminerTest < Test::Unit::TestCase
     @dataset.data_entries.each { |c,e|
       if c.to_s.scan('InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)').size > 0
         e.each { |p,h|
-          if p.to_s.scan('bbrc/92').size>0
+          if p.to_s.scan('bbrc/87').size>0
             count += 1 if h[0] == true
           end
-          if p.to_s.scan('bbrc/129').size>0
+          if p.to_s.scan('bbrc/54').size>0
             count += 1 if h[0] == true
           end
-          if p.to_s.scan('bbrc/56').size>0
+          if p.to_s.scan('bbrc/32').size>0
             count += 1 if h[0] == true
           end
         }
@@ -141,44 +141,44 @@ class FminerTest < Test::Unit::TestCase
   end
 
 
-  def test_regression_last
-    feature = File.join @@regression_training_dataset.uri,"feature/LC50_mmol" 
-    @dataset_uri = OpenTox::Algorithm::Fminer::LAST.new.run({:dataset_uri => @@regression_training_dataset.uri, :prediction_feature => feature, 
-                                                            :min_frequency => 40,
-                                                            :subjectid => @@subjectid}).to_s
-    dump
-    assert_equal 17, @dataset.features.size
-
-    
-    # assert no hit counts present
-    count=0
-    @dataset.data_entries.each { |c,e|
-      if c.to_s.scan('InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3').size > 0
-        e.each { |p,h|
-          if p.to_s.scan('last/6').size>0
-            count += 1 if h[0] == true
-          end
-          if p.to_s.scan('last/13').size>0
-            count += 1 if h[0] == true
-          end
-          if p.to_s.scan('last/8').size>0
-            count += 1 if h[0] == true
-          end
-        }
-      end
-    }
-    assert_equal 3, count
-
-    # assert some values
-    @dataset.features.each { |c,e|
-      if c.to_s.scan('feature/last/3').size > 0
-        assert_equal e['http://www.opentox.org/api/1.1#effect'], "activating"
-        assert_equal e['http://www.opentox.org/api/1.1#pValue'].to_f.round_to(2), 0.45
-        assert_equal e['http://www.opentox.org/api/1.1#smarts'], "[#8&A]-[#6&A]-[#6&A]-[#6&A]-[#6&A]-[#6&A]"
-      end
-    }
-    cleanup
-  end
+ def test_regression_last
+   feature = File.join @@regression_training_dataset.uri,"feature/LC50_mmol" 
+   @dataset_uri = OpenTox::Algorithm::Fminer::LAST.new.run({:dataset_uri => @@regression_training_dataset.uri, :prediction_feature => feature, 
+                                                           :min_frequency => 40,
+                                                           :subjectid => @@subjectid}).to_s
+   dump
+   assert_equal 21, @dataset.features.size
+
+   
+   # assert no hit counts present
+   count=0
+   @dataset.data_entries.each { |c,e|
+     if c.to_s.scan('InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3').size > 0
+       e.each { |p,h|
+         if p.to_s.scan('last/17').size>0
+           count += 1 if h[0] == true
+         end
+         if p.to_s.scan('last/18').size>0
+           count += 1 if h[0] == true
+         end
+         if p.to_s.scan('last/20').size>0
+           count += 1 if h[0] == true
+         end
+       }
+     end
+   }
+   assert_equal 3, count
+
+   # assert some values
+   @dataset.features.each { |c,e|
+     if c.to_s.scan('feature/last/3').size > 0
+       assert_equal e['http://www.opentox.org/api/1.1#effect'], "activating"
+       assert_equal e['http://www.opentox.org/api/1.1#pValue'].to_f.round_to(2), 0.99
+       assert_equal e['http://www.opentox.org/api/1.1#smarts'], "[#6&A]-[#6&a]:[#6&a]:[#6&a]:[#6&a]:[#6&a]"
+     end
+   }
+   cleanup
+ end
 
 
 
diff --git a/lazar.rb b/lazar.rb
index 9c4c50c..bd9139d 100644
--- a/lazar.rb
+++ b/lazar.rb
@@ -65,18 +65,18 @@ class LazarTest < Test::Unit::TestCase
   def test_create_regression_model
     create_model :dataset_uri => @@regression_training_dataset.uri
     predict_compound OpenTox::Compound.from_smiles("c1ccccc1NN")
-    assert_equal 0.327.round_to(3), @predictions.first.value(@compounds.first).round_to(3)
-    assert_equal 0.318.round_to(3), @predictions.first.confidence(@compounds.first).round_to(3)
-    assert_equal 69, @predictions.first.neighbors(@compounds.first).size
+    assert_equal 0.423.round_to(3), @predictions.first.value(@compounds.first).round_to(3)
+    assert_equal 0.263.round_to(3), @predictions.first.confidence(@compounds.first).round_to(3)
+    assert_equal 121, @predictions.first.neighbors(@compounds.first).size
     cleanup
   end
 
   def test_create_regression_prop_model
     create_model :dataset_uri => @@regression_training_dataset.uri, :local_svm_kernel => "propositionalized"
     predict_compound  OpenTox::Compound.from_smiles("c1ccccc1NN")
-    assert_equal 0.318.round_to(3), @predictions.first.confidence(@compounds.first).round_to(3)
-    assert_equal 69, @predictions.first.neighbors(@compounds.first).size
-    assert_equal 177, @model.features.size
+    assert_equal 0.263.round_to(3), @predictions.first.confidence(@compounds.first).round_to(3)
+    assert_equal 121, @predictions.first.neighbors(@compounds.first).size
+    assert_equal 132, @model.features.size
     cleanup
   end