1 files changed, 31 insertions, 0 deletions
diff --git a/test/lazar-physchem-short.rb b/test/lazar-physchem-short.rb
new file mode 100644
index 0000000..d6c2159
--- /dev/null
+++ b/test/lazar-physchem-short.rb
@@ -0,0 +1,31 @@
+require_relative "setup.rb"
+
+class LazarPhyschemDescriptorTest < MiniTest::Test
+  def test_epafhm
+
+    skip
+    @descriptors = OpenTox::Algorithm::Descriptor::OBDESCRIPTORS.keys
+    refute_empty @descriptors
+
+    # UPLOAD DATA
+    training_dataset = OpenTox::Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM.medi.csv")
+    feature_dataset = Algorithm::Descriptor.physchem training_dataset, @descriptors
+    scaled_feature_dataset = feature_dataset.scale
+    model = Model::LazarRegression.create training_dataset
+    model.neighbor_algorithm = "physchem_neighbors"
+    model.neighbor_algorithm_parameters = {
+      :feature_calculation_algorithm => "OpenTox::Algorithm::Descriptor.physchem",
+      :descriptors => @descriptors,
+      :feature_dataset_id => scaled_feature_dataset.id,
+      :min_sim => 0.3
+    }
+    model.save
+    compound = Compound.from_smiles "CC(C)(C)CN"
+    prediction = model.predict compound
+    refute_nil prediction[:value]
+    refute_nil prediction[:confidence]
+    prediction[:neighbors].each do |line|
+      assert_operator line[1], :>, 0.3
+    end
+  end
+end