Package org.openscience.cdk.graph.matrix
Class TopologicalMatrix
- java.lang.Object
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- org.openscience.cdk.graph.matrix.TopologicalMatrix
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- All Implemented Interfaces:
IGraphMatrix
public class TopologicalMatrix extends Object implements IGraphMatrix
Calculator for a topological matrix representation of this AtomContainer. An topological 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 the distance between two atoms in a molecule.- Author:
- federico
- Source code:
- main
- Belongs to CDK module:
- qsarmolecular
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Constructor Summary
Constructors Constructor Description TopologicalMatrix()
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Method Summary
All Methods Static Methods Concrete Methods Modifier and Type Method Description static int[][]
getMatrix(IAtomContainer container)
Returns the topological matrix for the given AtomContainer.
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Method Detail
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getMatrix
public static int[][] getMatrix(IAtomContainer container)
Returns the topological matrix for the given AtomContainer.- Parameters:
container
- The AtomContainer for which the matrix is calculated- Returns:
- A topological matrix representating this AtomContainer
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