ObjCryst::Restraint Class Reference

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

Inheritance diagram for ObjCryst::Restraint:

[legend]Collaboration diagram for ObjCryst::Restraint:

[legend]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 RefParType *	GetType () const
virtual void	SetType (const RefParType *type)
virtual REAL	GetLogLikelihood () const
	Get -ln(likelihood) for this restraint.
Private Attributes
const RefParType *	mpRefParType

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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.

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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]

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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]

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Member Data Documentation

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

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

• RefinableObj.h

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