org.wallerlab.yoink.adaptive.smooth.smoothfunction

Class PermutedSmoothFunction

java.lang.Object

org.wallerlab.yoink.adaptive.smooth.smoothfunction.PermutedSmoothFunction

All Implemented Interfaces:

SmoothFunction

@Service(value="permutedSmoothFunction")
public class PermutedSmoothFunction
extends java.lang.Object
implements SmoothFunction

this class is for smooth function used in PAP and SAP.

Constructor Summary

Constructors

Constructor and Description
PermutedSmoothFunction()

Method Summary

Modifier and Type	Method and Description
double	evaluate(double currentValue, double min, double max) this smooth function is used in PAP and SAP methods.

Methods inherited from class java.lang.Object

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

Constructor Detail

PermutedSmoothFunction

public PermutedSmoothFunction()

Method Detail

evaluate

public double evaluate(double currentValue,
                       double min,
                       double max)

this smooth function is used in PAP and SAP methods. for details please see: Heyden, Andreas, Hai Lin, and Donald G. Truhlar. "Adaptive partitioning in combined quantum mechanical and molecular mechanical calculations of potential energy functions for multiscale simulations." The Journal of Physical Chemistry B 111.9 (2007): 2231-2241.

Specified by:

evaluate in interface SmoothFunction

Parameters:

currentValue - , currentValue(variable) in smooth function

min - , minimum value in smooth function

max - , maximum value in smooth function

Returns:

smooth factor