org.wallerlab.yoink.molecular.domain

Class SimpleRadialGrid

java.lang.Object

org.wallerlab.yoink.molecular.domain.SimpleRadialGrid

All Implemented Interfaces:

RadialGrid

public class SimpleRadialGrid
extends java.lang.Object
implements RadialGrid

Constructor Summary

Constructors

Constructor and Description
SimpleRadialGrid()

Method Summary

Modifier and Type	Method and Description
double	getA()
double	getB()
double[][]	getCoefficients_of_first_derivative()
double[][]	getCoefficients_of_second_derivative()
double	getCore_cutdens()
double[]	getFirst_derivative_of_grid_values()
double[]	getGrid_positions()
double[]	getGrid_values()
int	getNgrid()
int[][]	getNode_offsets()
double	getPosition_max()
double	getPrefactor_of_first_derivative()
double	getPrefactor_of_second_derivative()
double[]	getSecond_derivative_of_grid_values()
double	getSquare_position_max()
void	setA(double a)
void	setB(double b)
void	setFirst_derivative_of_grid_values(double[] first_derivative_of_grid_values)
void	setGrid_positions(double[] grid_positions)
void	setGrid_values(double[] grid_values)
void	setNgrid(int ngrid)
void	setPosition_max(double position_max)
void	setSecond_derivative_of_grid_values(double[] second_derivative_of_grid_values)
void	setSquare_position_max(double square_position_max)

Methods inherited from class java.lang.Object

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

Constructor Detail

SimpleRadialGrid

public SimpleRadialGrid()

Method Detail

getCore_cutdens

public double getCore_cutdens()

Specified by:

getCore_cutdens in interface RadialGrid

getNode_offsets

public int[][] getNode_offsets()

Specified by:

getNode_offsets in interface RadialGrid

getCoefficients_of_first_derivative

public double[][] getCoefficients_of_first_derivative()

Specified by:

getCoefficients_of_first_derivative in interface RadialGrid

getCoefficients_of_second_derivative

public double[][] getCoefficients_of_second_derivative()

Specified by:

getCoefficients_of_second_derivative in interface RadialGrid

getPrefactor_of_first_derivative

public double getPrefactor_of_first_derivative()

Specified by:

getPrefactor_of_first_derivative in interface RadialGrid

getPrefactor_of_second_derivative

public double getPrefactor_of_second_derivative()

Specified by:

getPrefactor_of_second_derivative in interface RadialGrid

getPosition_max

public double getPosition_max()

Specified by:

getPosition_max in interface RadialGrid

setPosition_max

public void setPosition_max(double position_max)

Specified by:

setPosition_max in interface RadialGrid

getSquare_position_max

public double getSquare_position_max()

Specified by:

getSquare_position_max in interface RadialGrid

setSquare_position_max

public void setSquare_position_max(double square_position_max)

Specified by:

setSquare_position_max in interface RadialGrid

getA

public double getA()

Specified by:

getA in interface RadialGrid

setA

public void setA(double a)

Specified by:

setA in interface RadialGrid

getB

public double getB()

Specified by:

getB in interface RadialGrid

setB

public void setB(double b)

Specified by:

setB in interface RadialGrid

getNgrid

public int getNgrid()

Specified by:

getNgrid in interface RadialGrid

setNgrid

public void setNgrid(int ngrid)

Specified by:

setNgrid in interface RadialGrid

getGrid_positions

public double[] getGrid_positions()

Specified by:

getGrid_positions in interface RadialGrid

setGrid_positions

public void setGrid_positions(double[] grid_positions)

Specified by:

setGrid_positions in interface RadialGrid

getGrid_values

public double[] getGrid_values()

Specified by:

getGrid_values in interface RadialGrid

setGrid_values

public void setGrid_values(double[] grid_values)

Specified by:

setGrid_values in interface RadialGrid

getFirst_derivative_of_grid_values

public double[] getFirst_derivative_of_grid_values()

Specified by:

getFirst_derivative_of_grid_values in interface RadialGrid

setFirst_derivative_of_grid_values

public void setFirst_derivative_of_grid_values(double[] first_derivative_of_grid_values)

Specified by:

setFirst_derivative_of_grid_values in interface RadialGrid

getSecond_derivative_of_grid_values

public double[] getSecond_derivative_of_grid_values()

Specified by:

getSecond_derivative_of_grid_values in interface RadialGrid

setSecond_derivative_of_grid_values

public void setSecond_derivative_of_grid_values(double[] second_derivative_of_grid_values)

Specified by:

setSecond_derivative_of_grid_values in interface RadialGrid