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

Inheritance diagram for ObjCryst::Restraint:

Collaboration 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.

Definition at line 199 of file RefinableObj.h.

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

Public Member Functions

Private Attributes

Detailed Description