1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
|
require_relative "setup.rb"
class UseCasesTest < MiniTest::Test
def test_PA
skip "This test ist very time consuming, enable on demand."
Download.mutagenicity
training_dataset = Dataset.from_csv_file File.join(Download::DATA,"Mutagenicity-Salmonella_typhimurium.csv")
assert_equal 8281, training_dataset.compounds.size
# TODO use Model::Validation.from_csv_file
model_validation = Model::Validation.from_csv_file File.join(Download::DATA,"Mutagenicity-Salmonella_typhimurium.csv")
pa = Dataset.from_sdf_file "#{DATA_DIR}/PA.sdf"
prediction_dataset = model_validation.predict pa
# TODO add assertions
end
def test_tox21
skip "This test ist very time consuming, enable on demand."
csv_file = Download.pubchem_classification aid: 743122, species: "Human HG2L7.5c1 cell line", endpoint: "aryl hydrocarbon receptor (AhR) signaling pathway activation"
model_validation = Model::Validation.from_csv_file csv_file
assert_equal 5, model_validation.crossvalidations.size
end
def test_download_public_models
skip "This test will overwrite public data."
Download.public_data
assert_equal 11, Dir[File.join(File.dirname(__FILE__),"..","data","*csv")].size
assert_equal 11, Dir[File.join(File.dirname(__FILE__),"..","data","*json")].size
# TODO: check values
end
def test_import_public_models
skip "This test is very time consuming, enable on demand."
#$mongo.database.drop
#$gridfs = $mongo.database.fs # recreate GridFS indexes
validated_models = Import.public_data
assert_equal Dir[File.join(File.dirname(__FILE__),"..","data/*csv")].size, validated_models.size
end
end
|
