Class ConnectionMatrix

java.lang.Object
org.openscience.cdk.graph.matrix.ConnectionMatrix
All Implemented Interfaces:
IGraphMatrix

public class ConnectionMatrix extends Object implements IGraphMatrix
Calculator for a connection matrix representation of this AtomContainer. An adjacency matrix is a matrix of square NxN matrix, where N is the number of atoms in the AtomContainer. If the i-th and the j-th atom in the atomcontainer share a bond, the element i,j in the matrix is set to the bond order value. Otherwise it is zero. See [Trinijastic, N., Chemical Graph Theory, 1992, CRC Press].
Author:
steinbeck
Dictionary pointer(s):
calculateConnectivityMatrix in the Blue Obelisk Chemoinformatics Dictionary [blue-obelisk:calculateConnectivityMatrix]
Source code:
main
Belongs to CDK module:
standard
Keywords:
connection matrix
Created on:
2004-07-04
  • Constructor Details

    • ConnectionMatrix

      public ConnectionMatrix()
  • Method Details

    • getMatrix

      public static double[][] getMatrix(IAtomContainer container)
      Returns the connection matrix representation of this AtomContainer.
      Parameters:
      container - The AtomContainer for which the matrix is calculated
      Returns:
      A connection matrix representing this AtomContainer