summaryrefslogtreecommitdiff
path: root/test/experiment.rb
diff options
context:
space:
mode:
Diffstat (limited to 'test/experiment.rb')
-rw-r--r--test/experiment.rb31
1 files changed, 29 insertions, 2 deletions
diff --git a/test/experiment.rb b/test/experiment.rb
index cad4fa7..4b54768 100644
--- a/test/experiment.rb
+++ b/test/experiment.rb
@@ -18,7 +18,7 @@ class ExperimentTest < MiniTest::Test
}
]
)
- experiment.run
+ #experiment.run
puts experiment.report.to_yaml
assert_equal datasets.size, experiment.results.size
experiment.results.each do |dataset_id, result|
@@ -48,7 +48,7 @@ class ExperimentTest < MiniTest::Test
#}
]
)
- experiment.run
+ #experiment.run
=begin
experiment = Experiment.find "55f944a22b72ed7de2000000"
=end
@@ -61,4 +61,31 @@ class ExperimentTest < MiniTest::Test
end
end
end
+
+ def test_regression_fingerprints
+ datasets = [
+ "LOAEL_mmol_corrected_smiles.csv"
+ ]
+ min_sims = [0.3,0.7]
+ types = ["FP2","FP3","FP4","MACCS"]
+ experiment = Experiment.create(
+ :name => "Fminer vs fingerprint classification for datasets #{datasets}.",
+ :dataset_ids => datasets.collect{|d| Dataset.from_csv_file(File.join(DATA_DIR, d)).id},
+ )
+ types.each do |type|
+ min_sims.each do |min_sim|
+ experiment.model_settings << {
+ :algorithm => "OpenTox::Model::LazarRegression",
+ :neighbor_algorithm => "fingerprint_neighbors",
+ :neighbor_algorithm_parameter => {
+ :type => type,
+ :min_sim => min_sim,
+ }
+ }
+ end
+ end
+ experiment.run
+ p experiment.report
+
+ end
end