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require_relative "setup.rb"
class LazarPhyschemDescriptorTest < MiniTest::Test
def test_lazar_pc_descriptors
dataset = OpenTox::Dataset.new
dataset.upload File.join(DATA_DIR, "gui_models", "EPA_v4b_Fathead_Minnow_Acute_Toxicity_LC50-mmol.csv")
puts dataset.uri
#OB
model_uri = OpenTox::Model::Lazar.create :dataset_uri => dataset.uri, :feature_generation_uri => File.join($algorithm[:uri],"descriptor","physchem"), :descriptors => ["Openbabel.HBA1", "Openbabel.HBA2", "Openbabel.HBD", "Openbabel.L5", "Openbabel.MP", "Openbabel.MR", "Openbabel.MW", "Openbabel.TPSA", "Openbabel.abonds", "Openbabel.atoms", "Openbabel.bonds", "Openbabel.dbonds", "Openbabel.logP", "Openbabel.nF", "Openbabel.sbonds", "Openbabel.tbonds" ]
puts model_uri
end
end
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