public interface IReactionMechanism
Modifier and Type | Method and Description |
---|---|
IReaction |
initiate(IAtomContainerSet atomContainerSet,
ArrayList<IAtom> atomList,
ArrayList<IBond> bondList)
Initiates the process for the given mechanism.
|
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 © 2021. All rights reserved.