Exemple #1
0
        public void TtprTest()
        {
            string expected = "[Rh]([P]([C]([C]([C]([C,6]))" + "[C]([C]([C,6])))[C]([C]([C]([C,3]))"
                              + "[C]([C]([C,3])))[C]([C]([C]([C,2]))" + "[C]([C]([C,2]))))[P]([C]([C]([C]([C,7]))"
                              + "[C]([C]([C,7])))[C]([C]([C]([C,4]))" + "[C]([C]([C,4])))[C]([C]([C]([C,1]))"
                              + "[C]([C]([C,1]))))[P]([C]([C]([C]([C,8]))" + "[C]([C]([C,8])))[C]([C]([C]([C,5]))"
                              + "[C]([C]([C,5])))[C]([C]([C]([C,0]))" + "[C]([C]([C,0])))))";
            int               phosphateCount   = 3;
            int               ringCount        = 3;
            IAtomContainer    ttpr             = AbstractSignatureTest.MakeRhLikeStructure(phosphateCount, ringCount);
            MoleculeSignature molSig           = new MoleculeSignature(ttpr);
            string            centralSignature = molSig.SignatureStringForVertex(0);

            Assert.AreEqual(expected, centralSignature);
        }