@TestClass(value="org.openscience.cdk.reaction.mechanism.RadicalSiteRearrangementMechanismTest") public class RadicalSiteRearrangementMechanism extends Object implements IReactionMechanism
This mechanism displaces an Atom or substructure (R) from one position to an other. It returns the reaction mechanism which has been cloned the IMolecule.
This reaction could be represented as [A*]-(X)_n-Y-Z => A(Z)-(X)_n-[Y*]
Constructor and Description |
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RadicalSiteRearrangementMechanism() |
@TestMethod(value="testInitiate_IMoleculeSet_ArrayList_ArrayList") public IReaction initiate(IMoleculeSet moleculeSet, ArrayList<IAtom> atomList, ArrayList<IBond> bondList) throws CDKException
initiate
in interface IReactionMechanism
moleculeSet
- The IMolecule to apply the mechanismatomList
- The list of atoms taking part in the mechanism. Only allowed two atoms.
The first atom is the atom which must be moved and the second
is the atom which receives the atom1 and the third is the atom which loss
the first atombondList
- The list of bonds taking part in the mechanism. Only allowed one bond.
It is the bond which is movedCDKException
- if an error occurs during the reaction process.
See documentation for individual reaction processes