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authorDavid Vorgrimmler <vorgrimmlerdavid@gmx.de>2012-04-20 11:48:54 +0200
committerDavid Vorgrimmler <vorgrimmlerdavid@gmx.de>2012-04-20 11:48:54 +0200
commitce9dd536572e2fe5577b549321f7b1eb207ecea2 (patch)
treeae83addbdfd664b2e04ac66af691f8d5fad22821 /lazar.rb
parent2b6c4537e6e8de871d6230ba0c76baac9514baea (diff)
parentc7392f077f22a793d6aa75592f68ec0f1b4f4700 (diff)
Merge branch 'jl' into development
Conflicts: cv/data/datasets.yaml lazar.rb
Diffstat (limited to 'lazar.rb')
-rw-r--r--lazar.rb8
1 files changed, 4 insertions, 4 deletions
diff --git a/lazar.rb b/lazar.rb
index ee8e072..1a19b61 100644
--- a/lazar.rb
+++ b/lazar.rb
@@ -63,11 +63,11 @@ class LazarTest < Test::Unit::TestCase
## Regression
def test_create_regression_svm_pc_model
- create_model :dataset_uri => @@regression_training_dataset.uri, :feature_dataset_uri => @@regression_feature_dataset.uri, :pc_type => "constitutional"
+ create_model :dataset_uri => @@regression_training_dataset.uri, :feature_dataset_uri => @@regression_feature_dataset.uri, :pc_type => "constitutional", :lib => "cdk"
predict_compound OpenTox::Compound.from_smiles("c1ccccc1NN")
- assert_in_delta @predictions.first.value(@compounds.first), 7.6, 0.3
- assert_equal 0.603, @predictions.first.confidence(@compounds.first).round_to(3)
- assert_equal 74, @predictions.first.neighbors(@compounds.first).size
+ assert_in_delta @predictions.first.value(@compounds.first), 17.13, 0.3
+ assert_equal 0.531, @predictions.first.confidence(@compounds.first).round_to(3)
+ assert_equal 91, @predictions.first.neighbors(@compounds.first).size
cleanup
end