prf::RestraintFunction Class Reference

Simple harmonic potential well for arbitrary variable. More...

#include <RestraintFunction.hh>

Inheritance diagram for prf::RestraintFunction:

Public Member Functions
	RestraintFunction ()
	Default constructor.
virtual int	set_pars (prf_xml::XML_Node *pars)
	Set parameters form an XML node.
virtual double	operator() (double x)
	Evaluate the function for a given value of the coordinate.
virtual double	estimate_max (double scale_large)
	Estimate a maximum based on some "large" scale.
virtual double	estimate_min ()
	Estimate a minimum.

Detailed Description

The base class restraint function implements the interface used by all other restraint types. But it also provides a useful restraint function itself: a harmonic oscillator potential (quadratic). There are two adjustable parameters: mean and overall weight.

Member Function Documentation

double RestraintFunction::estimate_min ( )

virtual

The default value 0 is convenient for most cases. When the variable is at its mean location, the function should be 0, otherwise it should be some positive value.

int RestraintFunction::set_pars ( prf_xml::XML_Node *  pars )

virtual

The node must be called parameters . It must have a field called mean and another called weight. These fields are inheritted by all other restraint functions, so they don't need their own.

Reimplemented in prf::CircularNormal, prf::GaussianRestraint, prf::FlattenedPL, and prf::PowerLawRestraint.

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The documentation for this class was generated from the following files:

• model/Energy/Extras/RestraintFunction.hh
• model/Energy/Extras/RestraintFunction.cc