ObjCryst++: ObjCryst::Restraint Class Reference

Restraint: generic class for a restraint of a given model. More...

Inheritance diagram for ObjCryst::Restraint:

Public Member Functions
	Restraint ()
	Default constructor, sets RefParType to gpRefParTypeObjCryst.
	Restraint (const RefParType *type)
	constructor specifying the type
virtual const RefParType *	GetType () const
virtual void	SetType (const RefParType *type)
virtual REAL	GetLogLikelihood () const
	Get -ln(likelihood) for this restraint.

Private Attributes
const RefParType *	mpRefParType

Detailed Description

Restraint: generic class for a restraint of a given model.

This defines only the category (RefParType) of restraint, and the function to access the log(likelihood) associated to this restraint and the current model.

By default: -log(likelihood)=0, and the function must be overloaded for "real" restraints.

Note:

the log(likelihood) must always include the normalization term, so that variances can also optimized during the maximum likelihood optimization. e.g.:

$P=\frac{1}{\sqrt{2\pi\sigma^2}}e^{\frac{-(calc-expected)^2}{\sigma^2}}$
$-\log(P)= \log\left(\sqrt{2\pi\sigma^2}\right) + \left(\frac{calc-expected}{\sigma} \right)^2$

forgetting the normalization term would result in making the optimization diverge towards infinite variances.

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

RefinableObj.h

Public Member Functions

Private Attributes

Detailed Description