org.openscience.cdk.graph.matrix

Class AdjacencyMatrix

java.lang.Object

org.openscience.cdk.graph.matrix.AdjacencyMatrix

All Implemented Interfaces:

IGraphMatrix

public class AdjacencyMatrix
extends Object
implements IGraphMatrix

Calculator for a adjacency matrix representation of this AtomContainer. An adjacency matrix is a matrix of quare NxN matrix, where N is the number of atoms in the AtomContainer. The element i,j of the matrix is 1, if the i-th and the j-th atom in the atomcontainer share a bond. Otherwise it is zero. See (Trinijastic, N., Chemical Graph Theory, 1992, CRC Press).

Author:

steinbeck

Dictionary pointer(s):

calculateAdjecencyMatrix in the Blue Obelisk Chemoinformatics Dictionary [blue-obelisk:calculateAdjecencyMatrix]

Source code:

master

Belongs to CDK module:

core

Keywords:

adjacency matrix

Created on:

2004-07-04

Constructor Summary

Constructors

Constructor and Description
AdjacencyMatrix()

Method Summary

Modifier and Type	Method and Description
static int[][]	getMatrix(IAtomContainer container) Returns the adjacency matrix for the given AtomContainer.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

AdjacencyMatrix

public AdjacencyMatrix()

Method Detail

getMatrix

public static int[][] getMatrix(IAtomContainer container)

Returns the adjacency matrix for the given AtomContainer.

Parameters:

container - The AtomContainer for which the matrix is calculated

Returns:

An adjacency matrix representing this AtomContainer