org.jscience.chemistry.quantum.math.la
Class Diagonalizer

java.lang.Object
  org.jscience.chemistry.quantum.math.la.Diagonalizer

Direct Known Subclasses:

JacobiDiagonalizer

public abstract class Diagonalizer
extends java.lang.Object

Abstract class defining how a matrix diagonalizers public interfaces should be.
Caution! Diagonalizers only work with real square matrices ;)

Field Summary

protected boolean	eigenSort Holds value of property eigenSort.
protected double[]	eigenValues the eigen values
protected Matrix	eigenVectors Eigen vectors one per row
protected int	maximumIteration Holds value of property maximumIteration.
protected double	rmsTolerance Holds value of property rmsTolerance.
protected double	zeroTolerance Holds value of property zeroTolerance.

Constructor Summary

Diagonalizer()
Creates a new instance of Diagonalizer

Method Summary

abstract void	diagonalize(Matrix matrix) the diagonalization method, for the matrix A
double[]	getEigenValues() get the eigen values
Matrix	getEigenVectors() get the eigen vectors
int	getMaximumIteration() Getter for property maximumIteration.
double	getRmsTolerance() Getter for property rmsTolerance.
double	getZeroTolerance() Getter for property zeroTolerance.
boolean	isEigenSort() Getter for property eigenSort.
void	setEigenSort(boolean eigenSort) Setter for property eigenSort.
void	setMaximumIteration(int maximumIteration) Setter for property maximumIteration.
void	setRmsTolerance(double rmsTolerance) Setter for property rmsTolerance.
void	setZeroTolerance(double zeroTolerance) Setter for property zeroTolerance.

Methods inherited from class java.lang.Object

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

Field Detail

eigenVectors

protected Matrix eigenVectors

Eigen vectors one per row

eigenValues

protected double[] eigenValues

the eigen values

maximumIteration

protected int maximumIteration

Holds value of property maximumIteration.

zeroTolerance

protected double zeroTolerance

Holds value of property zeroTolerance.

rmsTolerance

protected double rmsTolerance

Holds value of property rmsTolerance.

eigenSort

protected boolean eigenSort

Holds value of property eigenSort.

Constructor Detail

Diagonalizer

public Diagonalizer()

Creates a new instance of Diagonalizer

Method Detail

diagonalize

public abstract void diagonalize(Matrix matrix)

the diagonalization method, for the matrix A

Parameters:

matrix - - the matrix that is to be diagonalized

getEigenVectors

public Matrix getEigenVectors()

get the eigen vectors

Returns:

the eigen vectors in a Matrix object

getEigenValues

public double[] getEigenValues()

get the eigen values

Returns:

the eigen values as an array of doubles

getMaximumIteration

public int getMaximumIteration()

Getter for property maximumIteration.

Returns:

Value of property maximumIteration.

setMaximumIteration

public void setMaximumIteration(int maximumIteration)

Setter for property maximumIteration.

Parameters:

maximumIteration - New value of property maximumIteration.

getZeroTolerance

public double getZeroTolerance()

Getter for property zeroTolerance.

Returns:

Value of property zeroTolerance.

setZeroTolerance

public void setZeroTolerance(double zeroTolerance)

Setter for property zeroTolerance.

Parameters:

zeroTolerance - New value of property zeroTolerance.

getRmsTolerance

public double getRmsTolerance()

Getter for property rmsTolerance.

Returns:

Value of property rmsTolerance.

setRmsTolerance

public void setRmsTolerance(double rmsTolerance)

Setter for property rmsTolerance.

Parameters:

rmsTolerance - New value of property rmsTolerance.

isEigenSort

public boolean isEigenSort()

Getter for property eigenSort.

Returns:

Value of property eigenSort.

setEigenSort

public void setEigenSort(boolean eigenSort)

Setter for property eigenSort.

Parameters:

eigenSort - New value of property eigenSort.