Added TUM clustering

2 files changed, 15 insertions, 1 deletions

diff --git a/Rakefile b/Rakefile
index f183527..be97237 100644
--- a/Rakefile
+++ b/Rakefile
@@ -33,7 +33,7 @@ task :teardown do
 end
 
 #[:all, :feature, :dataset, :fminer, :lazar, :authorization, :validation].each do |t|
-[:all, :feature, :dataset, :fminer, :lazar, :authorization, :parser, :validation ].each do |t|
+[:all, :algorithm, :feature, :dataset, :fminer, :lazar, :authorization, :parser, :validation ].each do |t|
   task :teardown => t
   task t => :setup 
 end
diff --git a/algorithm.rb b/algorithm.rb
index 4acfeec..3ff1304 100644
--- a/algorithm.rb
+++ b/algorithm.rb
@@ -75,7 +75,21 @@ class AlgorithmTest < Test::Unit::TestCase
       params[:nr_hits] = true
       assert_in_delta OpenTox::Algorithm::Similarity.tanimoto(features_a, features_c, weights, params), 0.235749338271022, 0.000001
     }
+  end
+
+  def test_clustering
+    # Parameters
+    dataset_uri         = @@classification_training_dataset.uri
+    query_compound      = OpenTox::Compound.from_smiles("O1COc2cc(ccc12)C")
 
+    c = OpenTox::Algorithm::Similarity::StructuralClustering.new dataset_uri
+    cluster_datasets = Array.new
+    if c.trained? 
+      c.get_clusters query_compound.uri 
+      cluster_datasets = c.target_clusters_array
     end
+    assert_equal cluster_datasets.size, 2
+
+  end
 
 end