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:
main
Belongs to CDK module:
core
Keywords:
adjacency matrix
Created on:
2004-07-04
  • Constructor Details

    • AdjacencyMatrix

      public AdjacencyMatrix()
  • Method Details

    • 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