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