static String auxInfo ( IAtomContainer container , INCHI_OPTION ... options ) throws CDKException { InChIGeneratorFactory factory = InChIGeneratorFactory . getInstance ( ) ; boolean org = factory . getIgnoreAromaticBonds ( ) ; factory . setIgnoreAromaticBonds ( true ) ; InChIGenerator gen = factory . getInChIGenerator ( container , Arrays . asList ( options ) ) ; factory . setIgnoreAromaticBonds ( org ) ; // an option on the singleton so we should reset for others if ( gen . getReturnStatus ( ) != INCHI_RET . OKAY && gen . getReturnStatus ( ) != INCHI_RET . WARNING ) throw new CDKException ( "Could not generate InChI Numbers: " + gen . getMessage ( ) ) ; return gen . getAuxInfo ( ) ; }
Obtain the InChI auxiliary info for the provided structure using using the specified InChI options .