AtomContainerBondPermutor (cdk 2.9 API)

java.lang.Object
- org.openscience.cdk.graph.Permutor
- - org.openscience.cdk.graph.AtomContainerPermutor
  - - org.openscience.cdk.graph.AtomContainerBondPermutor

All Implemented Interfaces:

Iterator<IAtomContainer>
```
public class AtomContainerBondPermutor
extends AtomContainerPermutor
```
This class allows the user to iterate through the set of all possible permutations of the bond order in a given atom container. This provides a means to check the dependency of an algorithm's results on the bond order of the input atom container.
Typical use:
```
 AtomContainerBondPermutor permutor = new AtomContainerBondPermutor(container);
 while (permutor.hasNext()) {
   IAtomContainer permutedContainer = permutor.next();
   ...
 }
```
Author:

maclean

Source code:
main

Belongs to CDK module:
standard

Keywords:

permutation

Created on:

2009-09-09

Field Summary
- Fields inherited from class org.openscience.cdk.graph.AtomContainerPermutor
  atomContainer

Constructor Summary

Constructors
Constructor	Description
`AtomContainerBondPermutor(IAtomContainer atomContainer)`	A permutor wraps the original atom container, and produces cloned (and permuted!) copies on demand.

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`IAtomContainer`	`containerFromPermutation(int[] permutation)`	Convert a permutation (expressed as a list of numbers) into a permuted atom container.

Methods inherited from class org.openscience.cdk.graph.AtomContainerPermutor
next, randomNext, remove

Methods inherited from class org.openscience.cdk.graph.Permutor
calculateMaxRank, getCurrentPermutation, getNextPermutation, getRandomNextPermutation, getRank, hasNext, setPermutation, setRank

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

Methods inherited from interface java.util.Iterator
forEachRemaining, hasNext

- Constructor Detail
  - AtomContainerBondPermutor
```
public AtomContainerBondPermutor(IAtomContainer atomContainer)
```
    A permutor wraps the original atom container, and produces cloned (and permuted!) copies on demand.
    
    Parameters:
    
    atomContainer - the atom container to permute
- Method Detail
  - containerFromPermutation
```
public IAtomContainer containerFromPermutation(int[] permutation)
```
    Description copied from class: AtomContainerPermutor
    
    Convert a permutation (expressed as a list of numbers) into a permuted atom container. This will differ depending on the desired effect of the permutation (atoms or bonds, for example).
    
    Specified by:
    
    containerFromPermutation in class AtomContainerPermutor
    
    Returns:
    
    the atom container corresponding to this permutation