AdductionSodiumLPReaction (cdk 2.10 API)

java.lang.Object
- org.openscience.cdk.reaction.ReactionEngine
- - org.openscience.cdk.reaction.type.AdductionSodiumLPReaction

All Implemented Interfaces:

IReactionProcess
```
public class AdductionSodiumLPReaction
extends ReactionEngine
implements IReactionProcess
```
IReactionProcess which produces an adduction of the Sodium. As most commonly encountered, this reaction results in the formal migration of a hydrogen atom or proton, accompanied by a switch of a single bond and adjacent double bond
```
[X-] + [Na+] => X -Na
```
```
|X + [Na+]   => [X+]-Na
```
Below you have an example how to initiate the mechanism.

It is processed by the AdductionLPMechanism class
```
  IAtomContainerSet setOfReactants = DefaultChemObjectBuilder.getInstance().newAtomContainerSet();
  setOfReactants.addAtomContainer(new AtomContainer());
  IReactionProcess type = new AdductionSodiumLPReaction();
  Object[] params = {Boolean.FALSE};
    type.setParameters(params);
  IReactionSet setOfReactions = type.initiate(setOfReactants, null);
  
```
We have the possibility to localize the reactive center. Good method if you want to specify the reaction in a fixed point.
```
atoms[0].setFlag(CDKConstants.REACTIVE_CENTER,true);
```
Moreover you must put the parameter Boolean.TRUE

If the reactive center is not specified then the reaction process will try to find automatically the possible reaction centers.
Author:

Miguel Rojas

See Also:

AdductionLPMechanism

Source code:
main

Belongs to CDK module:
reaction

Created on:

2008-02-11

Field Summary
- Fields inherited from class org.openscience.cdk.reaction.ReactionEngine
  mechanism, paramsMap, paramsMap2

Constructor Summary

Constructors
Constructor Description

AdductionSodiumLPReaction()
Constructor of the AdductionSodiumLPReaction object.

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`ReactionSpecification`	`getSpecification()`	Gets the specification attribute of the AdductionSodiumLPReaction object.
`IReactionSet`	`initiate(IAtomContainerSet reactants, IAtomContainerSet agents)`	Initiate process.

Methods inherited from class org.openscience.cdk.reaction.ReactionEngine
getParameterClass, getParameterList, setParameterList

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from interface org.openscience.cdk.reaction.IReactionProcess
getParameterClass, getParameterList, setParameterList

- Constructor Detail
  - AdductionSodiumLPReaction
```
public AdductionSodiumLPReaction()
```
    Constructor of the AdductionSodiumLPReaction object.
- Method Detail
  - getSpecification
```
public ReactionSpecification getSpecification()
```
    Gets the specification attribute of the AdductionSodiumLPReaction object.
    
    Specified by:
    
    getSpecification in interface IReactionProcess
    
    Returns:
    
    The specification value
  - initiate
```
public IReactionSet initiate(IAtomContainerSet reactants,
                             IAtomContainerSet agents)
                      throws CDKException
```
    Initiate process. It is needed to call the addExplicitHydrogensToSatisfyValency from the class tools.HydrogenAdder.
    
    Specified by:
    
    initiate in interface IReactionProcess
    
    Parameters:
    
    reactants - reactants of the reaction
    
    agents - agents of the reaction (Must be in this case null)
    
    Returns:
    
    the set of reactions.
    
    Throws:
    
    CDKException - Description of the Exception