SignatureQuotientGraph (cdk 2.9 API)

java.lang.Object
- signature.AbstractQuotientGraph
- - org.openscience.cdk.signature.SignatureQuotientGraph

```
public class SignatureQuotientGraph
extends signature.AbstractQuotientGraph
```
A signature quotient graph has a vertex for every signature symmetry class and an edge for each bond in the molecule between atoms in their class. So a structure where all the atoms are in the same symmetry class will have a quotient graph with one vertex and one loop edge. At the other extreme, a structure where every atom is in a different class will have a quotient graph the same as the molecule.

Author:

maclean

Source code:
main

Belongs to CDK module:
signature

Constructor Summary

Constructors
Constructor	Description
`SignatureQuotientGraph(IAtomContainer atomContainer)`	Construct a quotient graph from the symmetry classes generated from the atom container.
`SignatureQuotientGraph(IAtomContainer atomContainer, int height)`	Construct a quotient graph using symmetry classes defined by signatures of height `height`.

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type Method Description

boolean isConnected(int index1, int index2)
- Methods inherited from class signature.AbstractQuotientGraph
  construct, getEdgeCount, getVertexCount, getVertexSignatureStrings, numberOfLoopEdges, toString
- Methods inherited from class java.lang.Object
  clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

- Constructor Detail
  - SignatureQuotientGraph
```
public SignatureQuotientGraph(IAtomContainer atomContainer)
```
    Construct a quotient graph from the symmetry classes generated from the atom container.
    
    Parameters:
    
    atomContainer - the structure to use
  - SignatureQuotientGraph
```
public SignatureQuotientGraph(IAtomContainer atomContainer,
                              int height)
```
    Construct a quotient graph using symmetry classes defined by signatures of height height.
    
    Parameters:
    
    atomContainer - the structure to use
    
    height - the height of the signatures
- Method Detail
  - isConnected
```
public boolean isConnected(int index1,
                           int index2)
```
    Specified by:
    
    isConnected in class signature.AbstractQuotientGraph