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| author | Christoph Helma <helma@in-silico.ch> | 2016-06-01 12:46:03 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2016-06-01 12:46:03 +0200 |
| commit | 458a2d753551ea607f2ed5efdd0ac0a02d55d673 (patch) | |
| tree | 7059a346053fe07212a4bfed3e15ea0edc561bc2 /test/compound.rb | |
| parent | 65b69d4c35890a7a2d2992108f0cf4eb5202dd1b (diff) | |
all tests fixed
Diffstat (limited to 'test/compound.rb')
| -rw-r--r-- | test/compound.rb | 10 |
1 files changed, 2 insertions, 8 deletions
diff --git a/test/compound.rb b/test/compound.rb index 992463b..c9faa21 100644 --- a/test/compound.rb +++ b/test/compound.rb @@ -162,7 +162,7 @@ print c.sdf end def test_fingerprint_db_neighbors - #skip + skip training_dataset = Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM_log10.csv") [ "CC(=O)CC(C)C#N", @@ -170,18 +170,12 @@ print c.sdf "C(=O)CC(C)C#N", ].each do |smi| c = OpenTox::Compound.from_smiles smi - t = Time.now neighbors = c.db_neighbors(:dataset_id => training_dataset.id, :min_sim => 0.2) - p Time.now - t - t = Time.now neighbors2 = c.fingerprint_neighbors({:type => "MP2D", :dataset_id => training_dataset.id, :min_sim => 0.2, :prediction_feature_id => training_dataset.features.first.id}) - p Time.now - t - p neighbors.size - p neighbors2.size #p neighbors #p neighbors2 #p neighbors2 - neighbors - #assert_equal neighbors, neighbors2 + assert_equal neighbors, neighbors2 end end |