@TestClass(value="org.openscience.cdk.reaction.mechanism.TautomerizationMechanismTest") public class TautomerizationMechanism extends Object implements IReactionMechanism
This mechanism produces the tautomerization chemical reaction between two tautomers. It returns the reaction mechanism which has been cloned the IMolecule.
This reaction could be represented as X=Y-Z-H => X(H)-Y=Z
Constructor and Description |
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TautomerizationMechanism() |
@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 fourth atoms.bondList
- The list of bonds taking part in the mechanism. Only allowed two bond.
The first bond is the bond to decrease the order and the second is the bond
to increase the order
It is the bond which is movedCDKException
- if an error occurs during the reaction process.
See documentation for individual reaction processes