@Test
public void methylFerroceneTest() throws Exception {

    String smiles = "CC12C3C4C5C1[Fe]23456789C%10C6C7C8C9%10";
    IAtomContainer mol = parser.parseSmiles(smiles);
    MoleculeSignature molSig = new MoleculeSignature(mol);
    int feIndex = findFirstAtomIndexForSymbol(mol, "Fe");
    String sigForIron = molSig.signatureStringForVertex(feIndex);
    String expected = "[Fe]([C]([C,3][C,4])[C,3]([C,1])[C,4]([C,0])" + "[C]([C,5][C,6])[C,5]([C,2])[C,6]([C,7])"
            + "[C,7]([C][C,2])[C,0]([C,1])[C,1][C,2])";
    Assert.assertEquals(expected, sigForIron);
}