Main Page   Namespace List   Class Hierarchy   Alphabetical List   Compound List   Namespace Members   Compound Members   Related Pages  

ObjCryst::Restraint Class Reference

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

Inheritance diagram for ObjCryst::Restraint:

ObjCryst::MolBond ObjCryst::MolBondAngle ObjCryst::MolDihedralAngle ObjCryst::RefinablePar List of all members.

Public Methods

 Restraint ()
 Default constructor, sets RefParType to gpRefParTypeObjCryst.

 Restraint (const RefParType *type)
 constructor specifying the type

virtual REAL GetLogLikelihood () const
 Get -ln(likelihood) for this restraint.


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.:
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:
Generated on Wed Jun 25 23:26:24 2003 for ObjCryst++ by doxygen1.2.18