1 files changed, 18 insertions, 4 deletions
diff --git a/test/lazar-physchem.rb b/test/lazar-physchem.rb
index 066460a..d6f5894 100644
--- a/test/lazar-physchem.rb
+++ b/test/lazar-physchem.rb
@@ -4,19 +4,33 @@ class LazarPhyschemDescriptorTest < MiniTest::Test
 
   def test_lazar_pc_descriptors
     dataset = OpenTox::Dataset.new 
-    dataset.upload File.join(DATA_DIR,"EPAFHM.mini.csv")
+    dataset.upload File.join(DATA_DIR,"EPAFHM.medi.csv")
     assert_equal dataset.uri.uri?, true
+    puts dataset.uri
 
     model_uri = OpenTox::Model::Lazar.create :dataset_uri => dataset.uri, :feature_generation_uri => File.join($algorithm[:uri],"descriptor","physchem"), :descriptors => [ "Openbabel.atoms", "Openbabel.bonds", "Openbabel.dbonds", "Openbabel.HBA1", "Openbabel.HBA2", "Openbabel.HBD", "Openbabel.MP", "Openbabel.MR", "Openbabel.MW", "Openbabel.nF", "Openbabel.sbonds", "Openbabel.tbonds", "Openbabel.TPSA"]
-
+#    model_uri = "http://localhost:8085/model/437f008a-ca0f-4a85-83c1-d851ef2be60c"
     puts model_uri
     model = OpenTox::Model::Lazar.new model_uri
     assert_equal model_uri.uri?, true
-    prediction_uri = model.predict :compound_uri => "#{$compound[:uri]}/InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"
+    puts model.predicted_variable
+
+    compound_uri = "#{$compound[:uri]}/InChI=1S/C13H8Cl2O2/c14-12-5-4-11(7-13(12)15)17-10-3-1-2-9(6-10)8-16/h1-8H"
+    prediction_uri = model.predict :compound_uri => compound_uri
+#    prediction_uri = "http://localhost:8083/dataset/1e2d48d2-f720-4575-b192-524586630ac3"
+
     prediction = OpenTox::Dataset.new prediction_uri
     assert_equal prediction.uri.uri?, true
-    #TODO check correct prediction
     puts prediction.uri
+
+    assert prediction.features.collect{|f| f.uri}.include?(model.predicted_variable),"prediction feature #{model.predicted_variable} not included prediction dataset #{prediction.features.collect{|f| f.uri}}"
+    assert prediction.compounds.collect{|c| c.uri}.include?(compound_uri),"compound #{compound_uri} not included in prediction dataset #{prediction.compounds.collect{|c| c.uri}}"
+    assert_equal 1,prediction.compound_indices(compound_uri).size,"compound should only be once in the dataset"
+
+    predicted_value = prediction.data_entry_value(prediction.compound_indices(compound_uri).first,model.predicted_variable) #[model.predicted_variable]
+    puts predicted_value
+    assert predicted_value > 0.01
+    assert predicted_value < 0.1
   end
 
 end