From ad7ec6a1e33f69557fe64371581d5f42a65ecaa8 Mon Sep 17 00:00:00 2001
From: Christoph Helma <helma@in-silico.ch>
Date: Thu, 13 Oct 2016 17:34:31 +0200
Subject: classification fixed

---
 test/model.rb | 7 +++++--
 1 file changed, 5 insertions(+), 2 deletions(-)

(limited to 'test/model.rb')

diff --git a/test/model.rb b/test/model.rb
index 322ad90..027efe4 100644
--- a/test/model.rb
+++ b/test/model.rb
@@ -49,7 +49,10 @@ class ModelTest < MiniTest::Test
 
   def test_physchem_regression
     algorithms = {
-      :descriptors => [PhysChem::OPENBABEL],
+      :descriptors => {
+        :method => "calculate_properties",
+        :features => PhysChem.openbabel_descriptors,
+      },
       :similarity => {
         :method => "Algorithm::Similarity.cosine",
       }
@@ -60,9 +63,9 @@ class ModelTest < MiniTest::Test
     assert_equal "Algorithm::Caret.pls", model.algorithms[:prediction][:method]
     assert_equal "Algorithm::Similarity.cosine", model.algorithms[:similarity][:method]
     assert_equal 0.1, model.algorithms[:similarity][:min]
+    algorithms[:descriptors].delete :features
     assert_equal algorithms[:descriptors], model.algorithms[:descriptors]
     prediction = model.predict training_dataset.substances[10]
-    p prediction
     refute_nil prediction[:value]
     # TODO test predictin
   end
-- 
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