PROFASI
Version 1.5

Simple harmonic potential well for arbitrary variable. More...
#include <RestraintFunction.hh>
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.  
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.

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.

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.