MoleculeSignature extends AbstractGraphSignature { public String toCanonicalSignatureString(int height) { String canonicalSignature = null; for (int i = 0; i < getVertexCount(); i++) { String signatureForI = signatureStringForVertex(i, height); if (canonicalSignature == null || canonicalSignature.compareTo(signatureForI) < 0) { canonicalSignature = signatureForI; } } return canonicalSignature; } MoleculeSignature(IAtomContainer molecule);  MoleculeSignature(IAtomContainer molecule, int height); @Override /** {@inheritDoc} */ String signatureStringForVertex(int vertexIndex); @Override /** {@inheritDoc} */ String signatureStringForVertex(int vertexIndex, int height); @Override /** {@inheritDoc} */ AbstractVertexSignature signatureForVertex(int vertexIndex); List<Orbit> calculateOrbits(); static IAtomContainer fromSignatureString(String signatureString, IChemObjectBuilder coBuilder); String toCanonicalSignatureString(int height);  }
@Test public void toCanonicalSignatureStringTest() { Assert.assertEquals("[C]", molSig.toCanonicalSignatureString(0)); }