public interface IReactionMechanism
IReaction initiate(IAtomContainerSet atomContainerSet, ArrayList<IAtom> atomList, ArrayList<IBond> bondList) throws CDKException
atomContainerSet
- atomList
- The list of atoms taking part in the mechanismbondList
- The list of bonds taking part in the mechanismCDKException
- if an error occurs during the reaction process.
See documentation for individual reaction processesCopyright © 2017. All Rights Reserved.