1 files changed, 26 insertions, 2 deletions
diff --git a/test/lazar-physchem-short.rb b/test/lazar-physchem-short.rb
index 5b00231..c9de60c 100644
--- a/test/lazar-physchem-short.rb
+++ b/test/lazar-physchem-short.rb
@@ -1,3 +1,27 @@
-$short_tests = true
+require_relative "setup.rb"
 
-require File.join(File.expand_path(File.dirname(__FILE__)),"lazar-physchem-long.rb")
+class LazarPhyschemDescriptorTest < MiniTest::Test
+  def test_epafhm
+    # check available descriptors
+    @descriptors = OpenTox::Algorithm::Descriptor::DESCRIPTORS.keys
+    assert_equal 111,@descriptors.size,"wrong number of physchem descriptors"
+    @descriptor_values = OpenTox::Algorithm::Descriptor::DESCRIPTOR_VALUES
+
+    # select descriptors for test
+    @num_features_offset = 0
+    @descriptors.keep_if{|x| x=~/^Openbabel\./}
+    @descriptors.delete("Openbabel.L5") # TODO Openbabel.L5 does not work, investigate!!!
+    puts "Descriptors: #{@descriptors}"
+
+    # UPLOAD DATA
+    training_dataset = OpenTox::Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM.medi.csv")
+    puts "Dataset: "+training_dataset.id
+    feature_dataset = Algorithm::Descriptor.physchem training_dataset, @descriptors
+    model = Model::Lazar.create training_dataset, feature_dataset
+    #p model
+    compound = Compound.from_smiles "CC(C)(C)CN"
+    prediction = model.predict compound
+    p prediction
+
+  end
+end