summaryrefslogtreecommitdiff
path: root/test/lazar-physchem-short.rb
diff options
context:
space:
mode:
Diffstat (limited to 'test/lazar-physchem-short.rb')
-rw-r--r--test/lazar-physchem-short.rb31
1 files changed, 0 insertions, 31 deletions
diff --git a/test/lazar-physchem-short.rb b/test/lazar-physchem-short.rb
deleted file mode 100644
index d6c2159..0000000
--- a/test/lazar-physchem-short.rb
+++ /dev/null
@@ -1,31 +0,0 @@
-require_relative "setup.rb"
-
-class LazarPhyschemDescriptorTest < MiniTest::Test
- def test_epafhm
-
- skip
- @descriptors = OpenTox::Algorithm::Descriptor::OBDESCRIPTORS.keys
- refute_empty @descriptors
-
- # UPLOAD DATA
- training_dataset = OpenTox::Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM.medi.csv")
- feature_dataset = Algorithm::Descriptor.physchem training_dataset, @descriptors
- scaled_feature_dataset = feature_dataset.scale
- model = Model::LazarRegression.create training_dataset
- model.neighbor_algorithm = "physchem_neighbors"
- model.neighbor_algorithm_parameters = {
- :feature_calculation_algorithm => "OpenTox::Algorithm::Descriptor.physchem",
- :descriptors => @descriptors,
- :feature_dataset_id => scaled_feature_dataset.id,
- :min_sim => 0.3
- }
- model.save
- compound = Compound.from_smiles "CC(C)(C)CN"
- prediction = model.predict compound
- refute_nil prediction[:value]
- refute_nil prediction[:confidence]
- prediction[:neighbors].each do |line|
- assert_operator line[1], :>, 0.3
- end
- end
-end