Package ffx.openmm

Class Discrete2DFunction

java.lang.Object

ffx.openmm.TabulatedFunction

ffx.openmm.Discrete2DFunction

public class Discrete2DFunction
extends TabulatedFunction

This is a TabulatedFunction that computes a discrete two dimensional function f(x,y). To evaluate it, x and y are each rounded to the nearest integer and the table element with those indices is returned. If either index is outside the range [0, size), the result is undefined.

Field Summary

Fields inherited from class ffx.openmm.TabulatedFunction

pointer

Constructor Summary

Constructors

Constructor	Description
Discrete2DFunction(int xsize, int ysize, com.sun.jna.ptr.PointerByReference values)	Create a Discrete2DFunction f(x,y) based on a set of tabulated values.

Method Summary

Modifier and Type	Method	Description
void	destroy()	Destroy the discrete 2D function.
void	getFunctionParameters(com.sun.jna.ptr.IntByReference xsize, com.sun.jna.ptr.IntByReference ysize, com.sun.jna.ptr.PointerByReference values)	Get the parameters for the tabulated function.
void	getFunctionParameters(IntBuffer xsize, IntBuffer ysize, com.sun.jna.ptr.PointerByReference values)	Get the parameters for the tabulated function.
void	setFunctionParameters(int xsize, int ysize, com.sun.jna.ptr.PointerByReference values)	Set the parameters for the tabulated function.

Methods inherited from class ffx.openmm.TabulatedFunction

getPeriodic, getPointer, getUpdateCount

Methods inherited from class java.lang.Object

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

Constructor Details

Discrete2DFunction

public Discrete2DFunction(int xsize,
 int ysize,
 com.sun.jna.ptr.PointerByReference values)

Create a Discrete2DFunction f(x,y) based on a set of tabulated values.

Parameters:

xsize - the number of table elements along the x direction

ysize - the number of table elements along the y direction

values - the tabulated values of the function f(x,y), ordered so that values[i+xsize*j] = f(i,j). This must be of length xsize*ysize.

Method Details

destroy

public void destroy()

Destroy the discrete 2D function.

Specified by:

destroy in class TabulatedFunction

getFunctionParameters

public void getFunctionParameters(com.sun.jna.ptr.IntByReference xsize,
 com.sun.jna.ptr.IntByReference ysize,
 com.sun.jna.ptr.PointerByReference values)

Get the parameters for the tabulated function.

Parameters:

xsize - the number of table elements along the x direction

ysize - the number of table elements along the y direction

values - the tabulated values of the function f(x,y), ordered so that values[i+xsize*j] = f(i,j). This must be of length xsize*ysize.

getFunctionParameters

public void getFunctionParameters(IntBuffer xsize,
 IntBuffer ysize,
 com.sun.jna.ptr.PointerByReference values)

Get the parameters for the tabulated function.

Parameters:

xsize - the number of table elements along the x direction

ysize - the number of table elements along the y direction

values - the tabulated values of the function f(x,y), ordered so that values[i+xsize*j] = f(i,j). This must be of length xsize*ysize.

setFunctionParameters

public void setFunctionParameters(int xsize,
 int ysize,
 com.sun.jna.ptr.PointerByReference values)

Set the parameters for the tabulated function.

Parameters:

xsize - the number of table elements along the x direction

ysize - the number of table elements along the y direction

values - the tabulated values of the function f(x,y), ordered so that values[i+xsize*j] = f(i,j). This must be of length xsize*ysize.