From 9e7b36613e98601de7b2ceb2d4442e11f1ae868a Mon Sep 17 00:00:00 2001
From: Christoph Helma <helma@in-silico.ch>
Date: Thu, 10 Nov 2016 12:23:46 +0100
Subject: intermediate commit, may be defunct

---
 test/validation-nanoparticle.rb | 41 +++++++++++++++++++++++++++++++++++++++++
 1 file changed, 41 insertions(+)

(limited to 'test/validation-nanoparticle.rb')

diff --git a/test/validation-nanoparticle.rb b/test/validation-nanoparticle.rb
index 1742ef2..7391f21 100644
--- a/test/validation-nanoparticle.rb
+++ b/test/validation-nanoparticle.rb
@@ -72,4 +72,45 @@ class NanoparticleValidationTest  < MiniTest::Test
     refute_nil cv.rmse
   end
 
+  def test_nanoparticle_fingerprint_model
+    algorithms = {
+      :descriptors => {
+        :method => "fingerprint",
+        :type => "MP2D",
+      },
+      :similarity => {
+        :method => "Algorithm::Similarity.tanimoto",
+        :min => 0.1
+      },
+      :feature_selection => nil
+    }
+    model = Model::Lazar.create prediction_feature: @prediction_feature, training_dataset: @training_dataset, algorithms: algorithms
+    cv = CrossValidation.create model
+    p cv.rmse
+    p cv.r_squared
+    refute_nil cv.r_squared
+    refute_nil cv.rmse
+  end
+
+  def test_nanoparticle_fingerprint_weighted_average_model
+    algorithms = {
+      :descriptors => {
+        :method => "fingerprint",
+        :type => "MP2D",
+      },
+      :similarity => {
+        :method => "Algorithm::Similarity.tanimoto",
+        :min => 0.1
+      },
+      :prediction => { :method => "OpenTox::Algorithm::Regression.weighted_average" },
+      :feature_selection => nil
+    }
+    model = Model::Lazar.create prediction_feature: @prediction_feature, training_dataset: @training_dataset, algorithms: algorithms
+    cv = CrossValidation.create model
+    p cv.rmse
+    p cv.r_squared
+    refute_nil cv.r_squared
+    refute_nil cv.rmse
+  end
+
 end
-- 
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