Package org.openscience.cdk.graph.matrix
Class ConnectionMatrix
- java.lang.Object
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- org.openscience.cdk.graph.matrix.ConnectionMatrix
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- 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
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Constructor Summary
Constructors Constructor Description ConnectionMatrix()
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Method Summary
All Methods Static Methods Concrete Methods Modifier and Type Method Description static double[][]
getMatrix(IAtomContainer container)
Returns the connection matrix representation of this AtomContainer.
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Method Detail
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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
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