Exemple #1
0
        public void TestRemoveAcidicOxygen_IAminoAcid()
        {
            IAminoAcid glycine = builder.NewAminoAcid();

            glycine.Add(CDK.SmilesParser.ParseSmiles("C(C(=O)O)N"));
            Assert.AreEqual(5, glycine.Atoms.Count);
            glycine.AddCTerminus(glycine.Atoms[1]);
            AminoAcidManipulator.RemoveAcidicOxygen(glycine);
            Assert.AreEqual(4, glycine.Atoms.Count);
        }
Exemple #2
0
        public void TestAddAcidicOxygen_IAminoAcid()
        {
            // FIXME: I think this is the proper test, but it currently fails
            IAminoAcid glycine = builder.NewAminoAcid();

            glycine.Add(CDK.SmilesParser.ParseSmiles("C(C=O)N"));
            Assert.AreEqual(4, glycine.Atoms.Count);
            glycine.AddCTerminus(glycine.Atoms[1]);
            AminoAcidManipulator.AddAcidicOxygen(glycine);
            Assert.AreEqual(5, glycine.Atoms.Count);
        }