1 files changed, 64 insertions, 0 deletions
diff --git a/test/model-nanoparticle.rb b/test/model-nanoparticle.rb
index 7244a29..88032bc 100644
--- a/test/model-nanoparticle.rb
+++ b/test/model-nanoparticle.rb
@@ -31,6 +31,70 @@ class NanoparticleModelTest  < MiniTest::Test
     model.delete
   end
 
+  def test_nanoparticle_fingerprint_model
+    assert true, @prediction_feature.measured
+    algorithms = {
+      :descriptors => {
+        :method => "fingerprint",
+        :type => "MP2D",
+      },
+      :similarity => {
+        :method => "Algorithm::Similarity.tanimoto",
+        :min => 0.1
+      },
+      :feature_selection => nil
+    }
+    model = Model::Lazar.create training_dataset: @training_dataset, prediction_feature: @prediction_feature, algorithms: algorithms
+    refute_empty model.dependent_variables
+    refute_empty model.descriptor_ids
+    refute_empty model.independent_variables
+    assert_equal "Algorithm::Caret.rf", model.algorithms[:prediction][:method]
+    assert_equal "Algorithm::Similarity.tanimoto", model.algorithms[:similarity][:method]
+    nanoparticle = @training_dataset.nanoparticles[-34]
+    assert_includes nanoparticle.dataset_ids, @training_dataset.id
+    prediction = model.predict nanoparticle
+    refute_nil prediction[:value]
+    assert_includes prediction[:prediction_interval][0]..prediction[:prediction_interval][1], prediction[:measurements].median, "This assertion assures that measured values are within the prediction interval. It may fail in 5% of the predictions."
+    prediction = model.predict @training_dataset.substances[14]
+    refute_nil prediction[:value]
+    assert_includes prediction[:prediction_interval][0]..prediction[:prediction_interval][1], prediction[:measurements].median, "This assertion assures that measured values are within the prediction interval. It may fail in 5% of the predictions."
+    model.delete
+  end
+
+  def test_nanoparticle_calculated_properties_model
+    skip "Nanoparticle calculate_properties similarity not yet implemented"
+    assert true, @prediction_feature.measured
+    algorithms = {
+      :descriptors => {
+        :method => "calculate_properties",
+        :features => PhysChem.openbabel_descriptors,
+      },
+      :similarity => {
+        :method => "Algorithm::Similarity.weighted_cosine",
+        :min => 0.5
+      },
+      :prediction => {
+        :method => "Algorithm::Regression.weighted_average",
+      },
+    }
+    model = Model::Lazar.create training_dataset: @training_dataset, prediction_feature: @prediction_feature, algorithms: algorithms
+    p model
+    refute_empty model.dependent_variables
+    refute_empty model.descriptor_ids
+    refute_empty model.independent_variables
+    assert_equal "Algorithm::Caret.rf", model.algorithms[:prediction][:method]
+    assert_equal "Algorithm::Similarity.weighted", model.algorithms[:similarity][:method]
+    nanoparticle = @training_dataset.nanoparticles[-34]
+    assert_includes nanoparticle.dataset_ids, @training_dataset.id
+    prediction = model.predict nanoparticle
+    refute_nil prediction[:value]
+    assert_includes prediction[:prediction_interval][0]..prediction[:prediction_interval][1], prediction[:measurements].median, "This assertion assures that measured values are within the prediction interval. It may fail in 5% of the predictions."
+    prediction = model.predict @training_dataset.substances[14]
+    refute_nil prediction[:value]
+    assert_includes prediction[:prediction_interval][0]..prediction[:prediction_interval][1], prediction[:measurements].median, "This assertion assures that measured values are within the prediction interval. It may fail in 5% of the predictions."
+    model.delete
+  end
+
   def test_import_ld
     skip # Ambit JSON-LD export defunct
     dataset_ids = Import::Enanomapper.import_ld