Exemplo n.º 1
0
        public void TestTaeAminoAcidDescriptor()
        {
            var pepseq = ProteinBuilderTool.CreateProtein("ACDEFGH", CDK.Builder);
            var result = CreateDescriptor().Calculate(pepseq);

            Assert.AreEqual(147, result.Values.Count);
        }
        public void TestFCount()
        {
            var protein = ProteinBuilderTool.CreateProtein("FF", Silent.ChemObjectBuilder.Instance);
            var result  = CreateDescriptor().Calculate(protein);

            Assert.AreEqual(2, result.NumberOfG);
            Assert.AreEqual(4, result.NumberOfF); // thingy is symmetrical, so two mappings at each AA position possible
        }
        public void TestTCount()
        {
            var protein = ProteinBuilderTool.CreateProtein("TT");
            var result  = CreateDescriptor().Calculate(protein);

            Assert.AreEqual(2, result.NumberOfG);
            Assert.AreEqual(2, result.NumberOfT);
        }
        public void TestAACount()
        {
            var protein = ProteinBuilderTool.CreateProtein("ARNDCFQEGHIPLKMSTYVW");
            var result  = CreateDescriptor().Calculate(protein);

            foreach (var n in result.Values)
            {
                Assert.IsTrue(n >= 1);             // all AAs are found at least once
            }
            Assert.AreEqual(20, result.NumberOfG); // glycine is in all of them, so 20 times
        }