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require_relative "setup.rb"
$host = "#{$host}"
class DescriptorTest < MiniTest::Test
def test_00_get_descriptors
result = RestClientWrapper.get File.join($host, "compound/descriptor"), {}, {:accept => "text/plain"}
assert_equal result.code, 200
assert result.include?("Joelib.KierShape1: JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.\nJoelib.KierShape2: JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details."), "Descriptor list is not complete."
assert_equal 355, result.lines.count
end
def test_01_get_descriptor
result = RestClientWrapper.get File.join($host, "compound/descriptor", "Openbabel.MW"), {}, {:accept => "text/plain"}
assert_equal result.code, 200
assert_equal result, "Molecular Weight filter"
end
def test_03_get_descriptor_id
result = RestClientWrapper.get File.join($host, "compound/descriptor", "Openbabel.HBA1"), {}, {:accept => "application/json"}
assert_equal result.code, 200
json = JSON.parse(result)
assert_equal json["description"], "Number of Hydrogen Bond Acceptors 1 (JoelLib)"
bsonid = json["_id"]["$oid"]
result = RestClientWrapper.get File.join($host, "compound/descriptor", bsonid), {}, {:accept => "application/json"}
json = JSON.parse(result)
assert_equal json["name"], "Openbabel.HBA1"
assert_equal json["calculated"], true
end
def test_04_post_descriptor
result = RestClientWrapper.post File.join($host, "compound/descriptor"), {:identifier => "CC(=O)CC(C)C#N", :descriptor => "Joelib.LogP"}, {:accept => "application/csv"}
assert_equal result.code, 200
assert_equal "SMILES,\"CC(=O)CC(C)C#N\"\n\"Joelib.LogP\",2.65908", result
end
# currently not applicable
#def test_05_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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