Package ffx.openmm

Class Continuous1DFunction

java.lang.Object

ffx.openmm.TabulatedFunction

ffx.openmm.Continuous1DFunction

public class Continuous1DFunction
extends TabulatedFunction

This is a TabulatedFunction that computes a continuous one dimensional function.

Field Summary

Fields inherited from class ffx.openmm.TabulatedFunction

pointer

Constructor Summary

Constructors

Constructor	Description
Continuous1DFunction(com.sun.jna.ptr.PointerByReference values, double min, double max, boolean periodic)	Create a Continuous1DFunction f(x) based on a set of tabulated values.

Method Summary

Modifier and Type	Method	Description
void	destroy()	Destroy the continuous 1D function.
void	getFunctionParameters(com.sun.jna.ptr.PointerByReference values, com.sun.jna.ptr.DoubleByReference min, com.sun.jna.ptr.DoubleByReference max)	Get the parameters for the tabulated function.
void	setFunctionParameters(com.sun.jna.ptr.PointerByReference values, double min, double max)	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

Continuous1DFunction

public Continuous1DFunction(com.sun.jna.ptr.PointerByReference values,
 double min,
 double max,
 boolean periodic)

Create a Continuous1DFunction f(x) based on a set of tabulated values.

Parameters:

values - the tabulated values of the function f(x) at uniformly spaced values of x between min and max. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero for x < min or x > max.

min - the value of x corresponding to the first element of values

max - the value of x corresponding to the last element of values

periodic - whether the interpolated function is periodic

Method Details

destroy

public void destroy()

Destroy the continuous 1D function.

Specified by:

destroy in class TabulatedFunction

getFunctionParameters

public void getFunctionParameters(com.sun.jna.ptr.PointerByReference values,
 com.sun.jna.ptr.DoubleByReference min,
 com.sun.jna.ptr.DoubleByReference max)

Get the parameters for the tabulated function.

Parameters:

values - the tabulated values of the function f(x) at uniformly spaced values of x between min and max. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero for x < min or x > max.

min - the value of x corresponding to the first element of values

max - the value of x corresponding to the last element of values

setFunctionParameters

public void setFunctionParameters(com.sun.jna.ptr.PointerByReference values,
 double min,
 double max)

Set the parameters for the tabulated function.

Parameters:

values - the tabulated values of the function f(x) at uniformly spaced values of x between min and max. A natural cubic spline is used to interpolate between the tabulated values. The function is assumed to be zero for x < min or x > max.

min - the value of x corresponding to the first element of values

max - the value of x corresponding to the last element of values