SmilesReactionCanoniser (cdk 2.9 API)

java.lang.Object
- org.openscience.cdk.smsd.labelling.AbstractReactionLabeller
- - org.openscience.cdk.smsd.labelling.SmilesReactionCanoniser

All Implemented Interfaces:

ICanonicalReactionLabeller
```
@Deprecated
public class SmilesReactionCanoniser
extends AbstractReactionLabeller
implements ICanonicalReactionLabeller
```
Deprecated.
This class is part of SMSD and either duplicates functionality elsewhere in the CDK or provides public access to internal implementation details. SMSD has been deprecated from the CDK with a newer, more recent version of SMSD is available at http://github.com/asad/smsd.

Source code:
main

Belongs to CDK module:
smsd

Constructor Summary

Constructors
Constructor Description

SmilesReactionCanoniser()
Deprecated.

Method Summary

All Methods Instance Methods Concrete Methods Deprecated Methods
Modifier and Type	Method	Description
`IReaction`	`getCanonicalReaction(IReaction reaction)`	Deprecated. Convert a reaction into a canonical form by canonizing each of the structures in the reaction in turn.

Methods inherited from class org.openscience.cdk.smsd.labelling.AbstractReactionLabeller
labelReaction

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

- Constructor Detail
  - SmilesReactionCanoniser
```
public SmilesReactionCanoniser()
```
    Deprecated.
- Method Detail
  - getCanonicalReaction
```
public IReaction getCanonicalReaction(IReaction reaction)
```
    Deprecated.
    
    Convert a reaction into a canonical form by canonizing each of the structures in the reaction in turn.
    
    Specified by:
    
    getCanonicalReaction in interface ICanonicalReactionLabeller
    
    Parameters:
    
    reaction - the IReaction to be processed
    
    Returns:
    
    the canonical IReaction