ambit2.descriptors.utils

Class GraphMatrices

java.lang.Object

ambit2.descriptors.utils.GraphMatrices

public class GraphMatrices
extends Object

Nested Class Summary

Nested Classes

Modifier and Type	Class and Description
static class	GraphMatrices.DMAtomState

Constructor Summary

Constructors

Constructor and Description
GraphMatrices()

Method Summary

Modifier and Type	Method and Description
static void	fillDiagonal(double[][] a, double value)
static void	fillDiagonal(int[][] a, int value)
static void	fillMatrix(double[][] a, double value)
static void	fillMatrix(int[][] a, int value)
static void	fillVector(GraphMatrices.DMAtomState state, GraphMatrices.DMAtomState[] v, int size)
static int	fillVector(int elValue, int[] v, int size)
static int[][]	getAdditiveAdjacencyMatrix(org.openscience.cdk.interfaces.IAtomContainer container)
static int[][]	getAdjacencyMatrix(org.openscience.cdk.interfaces.IAtomContainer container)
static double[][]	getAtomWeightedDistanceMatrix(org.openscience.cdk.interfaces.IAtomContainer container, double[] atomWeights)
static double[]	getChemicalAtomEccentricity(double[][] WDM)
static int[][]	getComplementDistanceMatrix(org.openscience.cdk.interfaces.IAtomContainer container)
static int[][]	getDegreeMatrix(org.openscience.cdk.interfaces.IAtomContainer container)
static int	getFrequency(double elValue, double[] v, int size)
static int	getFrequency(GraphMatrices.DMAtomState state, GraphMatrices.DMAtomState[] v, int size)
static int	getFrequency(int elValue, int[] v, int size)
static double[][]	getGeneralizedDistanceMatrix(org.openscience.cdk.interfaces.IAtomContainer container, double alfa)
static double[][]	getReciprocalDistanceMatrix(org.openscience.cdk.interfaces.IAtomContainer container)
static int[][]	getTopDistanceMatrix(org.openscience.cdk.interfaces.IAtomContainer container)
static int[]	getVertexEccentricity(int[][] D)
static int[][]	LaplasMatrix(org.openscience.cdk.interfaces.IAtomContainer container)
static double	max(double[] d)
static int	max(int[] d)
static double	min(double[] d)
static int	min(int[] d)
static void	nullify(double[][] a)
static void	nullify(int[][] a)
static int[][]	SzegedMatrixE(org.openscience.cdk.interfaces.IAtomContainer container)
static int[][]	SzegedMatrixP(org.openscience.cdk.interfaces.IAtomContainer container)
static int[][]	SzegedMatrixU(org.openscience.cdk.interfaces.IAtomContainer container)
static String	toString(int[][] a)

Methods inherited from class java.lang.Object

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

Constructor Detail

GraphMatrices

public GraphMatrices()

Method Detail

getTopDistanceMatrix

public static int[][] getTopDistanceMatrix(org.openscience.cdk.interfaces.IAtomContainer container)

getVertexEccentricity

public static int[] getVertexEccentricity(int[][] D)

getAtomWeightedDistanceMatrix

public static double[][] getAtomWeightedDistanceMatrix(org.openscience.cdk.interfaces.IAtomContainer container,
                                                       double[] atomWeights)

getChemicalAtomEccentricity

public static double[] getChemicalAtomEccentricity(double[][] WDM)

getAdditiveAdjacencyMatrix

public static int[][] getAdditiveAdjacencyMatrix(org.openscience.cdk.interfaces.IAtomContainer container)

getGeneralizedDistanceMatrix

public static double[][] getGeneralizedDistanceMatrix(org.openscience.cdk.interfaces.IAtomContainer container,
                                                      double alfa)

getReciprocalDistanceMatrix

public static double[][] getReciprocalDistanceMatrix(org.openscience.cdk.interfaces.IAtomContainer container)

getComplementDistanceMatrix

public static int[][] getComplementDistanceMatrix(org.openscience.cdk.interfaces.IAtomContainer container)

getAdjacencyMatrix

public static int[][] getAdjacencyMatrix(org.openscience.cdk.interfaces.IAtomContainer container)

getDegreeMatrix

public static int[][] getDegreeMatrix(org.openscience.cdk.interfaces.IAtomContainer container)

LaplasMatrix

public static int[][] LaplasMatrix(org.openscience.cdk.interfaces.IAtomContainer container)

SzegedMatrixU

public static int[][] SzegedMatrixU(org.openscience.cdk.interfaces.IAtomContainer container)

SzegedMatrixP

public static int[][] SzegedMatrixP(org.openscience.cdk.interfaces.IAtomContainer container)

SzegedMatrixE

public static int[][] SzegedMatrixE(org.openscience.cdk.interfaces.IAtomContainer container)

min

public static int min(int[] d)

min

public static double min(double[] d)

max

public static int max(int[] d)

max

public static double max(double[] d)

getFrequency

public static int getFrequency(int elValue,
                               int[] v,
                               int size)

getFrequency

public static int getFrequency(double elValue,
                               double[] v,
                               int size)

fillVector

public static int fillVector(int elValue,
                             int[] v,
                             int size)

fillMatrix

public static void fillMatrix(int[][] a,
                              int value)

fillMatrix

public static void fillMatrix(double[][] a,
                              double value)

nullify

public static void nullify(int[][] a)

nullify

public static void nullify(double[][] a)

fillDiagonal

public static void fillDiagonal(int[][] a,
                                int value)

fillDiagonal

public static void fillDiagonal(double[][] a,
                                double value)

fillVector

public static void fillVector(GraphMatrices.DMAtomState state,
                              GraphMatrices.DMAtomState[] v,
                              int size)

getFrequency

public static int getFrequency(GraphMatrices.DMAtomState state,
                               GraphMatrices.DMAtomState[] v,
                               int size)

toString

public static String toString(int[][] a)