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require_relative "setup.rb"
class FminerTest < MiniTest::Test
def test_fminer_bbrc
dataset = OpenTox::Dataset.new
dataset.upload File.join(DATA_DIR,"hamster_carcinogenicity.csv")
refute_nil dataset.id
feature_dataset = OpenTox::Algorithm::Fminer.bbrc :dataset => dataset
# TODO do we need tasks here?
#task = OpenTox::Algorithm::Fminer.bbrc :dataset => dataset#.uri
#task.wait
#feature_dataset = task.result
#p task.code
#p feature_dataset.features
assert_equal dataset.compounds.size, feature_dataset.compounds.size
assert_equal 54, feature_dataset.features.size
assert_equal '[#6&A]-[#6&A]-[#6&A]=[#6&A]', feature_dataset.features.first.title
compounds = feature_dataset.compounds
smarts = feature_dataset.features.collect{|f| f.smarts}
match = OpenTox::Algorithm::Descriptor.smarts_match compounds, smarts
compounds.each_with_index do |c,i|
smarts.each_with_index do |s,j|
assert_equal match[i][j], feature_dataset.data_entries[i][j].to_i
end
end
dataset.delete
feature_dataset.delete
end
def test_fminer_last
dataset = OpenTox::Dataset.new
dataset.upload File.join(DATA_DIR,"hamster_carcinogenicity.csv")
feature_dataset = OpenTox::Algorithm::Fminer.last :dataset => dataset
assert_equal dataset.compounds.size, feature_dataset.compounds.size
assert_equal 21, feature_dataset.features.size
assert_equal '[#6&A]-[#6&a]:[#6&a]:[#6&a]:[#6&a]:[#6&a]', feature_dataset.features.first.smarts
compounds = feature_dataset.compounds
smarts = feature_dataset.features.collect{|f| f.smarts}
match = OpenTox::Algorithm::Descriptor.smarts_match compounds, smarts
compounds.each_with_index do |c,i|
smarts.each_with_index do |s,j|
assert_equal match[i][j], feature_dataset.data_entries[i][j].to_i
end
end
dataset.delete
feature_dataset.delete
end
end
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