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require_relative "setup.rb"
$host = "#{$host}"
class DescriptorTest < MiniTest::Test
def test_00_get_descriptors
result = RestClientWrapper.get File.join($host, "compound/descriptor"), {}, {:accept => "text/plain"}
assert_equal result.code, 200
assert result.include?("Joelib.KierShape1: no description available\nJoelib.KierShape2: no description available"), "Descriptor list is not complete."
assert_equal 110, result.lines.count
end
def test_01_get_descriptor
result = RestClientWrapper.get File.join($host, "compound/descriptor", "Openbabel.MW"), {}, {:accept => "text/plain"}
assert_equal result.code, 200
assert_equal result, "Molecular Weight filter"
end
def test_02_post_descriptor
result = RestClientWrapper.post File.join($host, "compound/descriptor"), {:identifier => "CC(=O)CC(C)C#N", :descriptor => "Joelib.LogP"}, {:accept => "application/csv"}
assert_equal result.code, 200
assert_equal "SMILES,Joelib.LogP\nCC(=O)CC(C)C#N,2.65908\n", result
end
def test_03_post_descriptor_file
file = File.join(DATA_DIR, "hamster_carcinogenicity.mini.csv")
result = RestClientWrapper.post File.join($host, "compound/descriptor"), {:file => File.open(file), :descriptor => "Openbabel.logP,Cdk.AtomCount,Cdk.CarbonTypes,Joelib.LogP"}, {:accept => "application/json"}
assert_equal result.code, 200
proof_result = File.read(File.join(REST_DATA_DIR, "test_03_post_descriptor_file.result"))
assert_equal result, proof_result.strip
end
end
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