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); }