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ObjCryst::Restraint Class Reference

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

Inheritance diagram for ObjCryst::Restraint:

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List of all members.

Public Member Functions

 Restraint ()
 Default constructor, sets RefParType to gpRefParTypeObjCryst.

 Restraint (const RefParType *type)
 constructor specifying the type

virtual ~Restraint ()
virtual const RefParTypeGetType () const
virtual void SetType (const RefParType *type)
virtual REAL GetLogLikelihood () const
 Get -ln(likelihood) for this restraint.


Private Attributes

const RefParTypempRefParType

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.


Constructor & Destructor Documentation

ObjCryst::Restraint::Restraint  ) 
 

Default constructor, sets RefParType to gpRefParTypeObjCryst.

ObjCryst::Restraint::Restraint const RefParType type  ) 
 

constructor specifying the type

virtual ObjCryst::Restraint::~Restraint  )  [virtual]
 


Member Function Documentation

virtual REAL ObjCryst::Restraint::GetLogLikelihood  )  const [virtual]
 

Get -ln(likelihood) for this restraint.

Reimplemented in ObjCryst::MolBond, ObjCryst::MolBondAngle, and ObjCryst::MolDihedralAngle.

virtual const RefParType* ObjCryst::Restraint::GetType  )  const [virtual]
 

virtual void ObjCryst::Restraint::SetType const RefParType type  )  [virtual]
 


Member Data Documentation

const RefParType* ObjCryst::Restraint::mpRefParType [private]
 


The documentation for this class was generated from the following file:
Generated on Tue Nov 14 15:05:50 2006 for ObjCryst++ by doxygen 1.3.6