diff options
| author | Christoph Helma <helma@in-silico.ch> | 2019-06-21 12:55:21 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2019-06-21 12:55:21 +0200 |
| commit | bea6f89f2a54a0612a30ce90c56c4ddecc4f7ed1 (patch) | |
| tree | dc617be8c8d4ea2bad3a47398d2c0a99bbb06c56 /test/regression-model.rb | |
| parent | 7aac1c36369b41501edfc261e4f7ad77dec6b2a1 (diff) | |
measurement added for single neighbors
Diffstat (limited to 'test/regression-model.rb')
| -rw-r--r-- | test/regression-model.rb | 8 |
1 files changed, 8 insertions, 0 deletions
diff --git a/test/regression-model.rb b/test/regression-model.rb index 3b41171..378ebc7 100644 --- a/test/regression-model.rb +++ b/test/regression-model.rb @@ -195,4 +195,12 @@ class LazarRegressionTest < MiniTest::Test end end + def test_fhm_prediction + #p File.join(File.dirname(__FILE__),"..","data","Acute_toxicity-Fathead_minnow.csv") + training_dataset = Dataset.from_csv_file File.join(File.dirname(__FILE__),"..","data","Acute_toxicity-Fathead_minnow.csv") + model = Model::Lazar.create training_dataset: training_dataset + prediction = model.predict Compound.from_smiles("N=Nc1ccccc1") + assert_equal 0.65, prediction[:neighbors][0][:measurement].round(2) + end + end |