@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|
|Modifier and Type||Method and Description|
Initiates the process for the given mechanism.
@TestMethod(value="testInitiate_IAtomContainerSet_ArrayList_ArrayList") public IReaction initiate(IAtomContainerSet atomContainerSet, ArrayList<IAtom> atomList, ArrayList<IBond> bondList) throws CDKException
atomList- 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 moved
CDKException- if an error occurs during the reaction process. See documentation for individual reaction processes