ObjCryst::TextureMarchDollase Class Reference

Texture correction using the March-Dollase model. More...

Inheritance diagram for ObjCryst::TextureMarchDollase:

[legend]Collaboration diagram for ObjCryst::TextureMarchDollase:

[legend]List of all members.

Public Member Functions
	TextureMarchDollase (const ScatteringData &data)
virtual	~TextureMarchDollase ()
virtual const string &	GetName () const
	Get the name of this object.
virtual const string &	GetClassName () const
	Get the name of the class.
void	AddPhase (const REAL fraction, const REAL coeffMarch, const REAL h, const REAL k, const REAL l)
void	SetPhasePar (const unsigned int i, const REAL fraction, const REAL coeffMarch, const REAL h, const REAL k, const REAL l)
void	DeletePhase (const unsigned int i)
unsigned int	GetNbPhase () const
REAL	GetFraction (const unsigned int i) const
REAL	GetMarchCoeff (const unsigned int i) const
REAL	GetPhaseH (const unsigned int i) const
REAL	GetPhaseK (const unsigned int i) const
REAL	GetPhaseL (const unsigned int i) const
virtual void	GlobalOptRandomMove (const REAL mutationAmplitude, const RefParType *type=gpRefParTypeObjCryst)
	Make a random move of the current configuration.
virtual REAL	GetBiasingCost () const
virtual void	XMLOutput (ostream &os, int indent=0) const
	Output to stream in well-formed XML.
virtual void	XMLInput (istream &is, const XMLCrystTag &tag)
	Input From stream.
virtual void	BeginOptimization (const bool allowApproximations=false, const bool enableRestraints=false)
	This should be called by any optimization class at the begining of an optimization.
virtual void	TagNewBestConfig () const
	During a global optimization, tells the object that the current config is the latest "best" config.
Protected Member Functions
virtual void	CalcCorr () const
	Do the computation of corrected intensities.
void	DeleteAllPhase ()
Protected Attributes
ObjRegistry< TexturePhaseMarchDollase >	mPhaseRegistry
RefinableObjClock	mClockTexturePar
unsigned long	mNbReflUsed
	Number of reflexion for which the calculation is actually done.

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Detailed Description

Texture correction using the March-Dollase model.

This can include several phases.

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Constructor & Destructor Documentation

ObjCryst::TextureMarchDollase::TextureMarchDollase (  const ScatteringData &  data  )

virtual ObjCryst::TextureMarchDollase::~TextureMarchDollase (   )  [virtual]

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Member Function Documentation

void ObjCryst::TextureMarchDollase::AddPhase (  const REAL  fraction, const REAL  coeffMarch, const REAL  h, const REAL  k, const REAL  l )

virtual void ObjCryst::TextureMarchDollase::BeginOptimization (  const bool  allowApproximations = false, const bool  enableRestraints = false )  [virtual]

This should be called by any optimization class at the begining of an optimization. This will also check that everything is ready, eg call the RefinableObj::Prepare() function. This also affects all sub-objects. Note: this may be called several time for some objects which are used by several other objects. Parameters: allowApproximations:  if true, then the object can use faster but less precise functions during the optimization. This is useful for global optimization not using derivatives. enableRestraints:  if true, then restrained parameters will be allowed to go beyond theur hard limits. This implies that the algorithm will take into account the cost (penalty) related to the restraints. Objects which do not use restraints will simply ignore this. WARNING: this parameter may be removed with the new likelihood scheme. Reimplemented from ObjCryst::RefinableObj.

virtual void ObjCryst::TextureMarchDollase::CalcCorr (   )  const [protected, virtual]

Do the computation of corrected intensities. Implements ObjCryst::ScatteringCorr.

void ObjCryst::TextureMarchDollase::DeleteAllPhase (   )  [protected]

void ObjCryst::TextureMarchDollase::DeletePhase (  const unsigned int  i  )

virtual REAL ObjCryst::TextureMarchDollase::GetBiasingCost (   )  const [virtual]

virtual const string& ObjCryst::TextureMarchDollase::GetClassName (   )  const [virtual]

Get the name of the class. Implements ObjCryst::ScatteringCorr.

REAL ObjCryst::TextureMarchDollase::GetFraction (  const unsigned int  i  )  const

REAL ObjCryst::TextureMarchDollase::GetMarchCoeff (  const unsigned int  i  )  const

virtual const string& ObjCryst::TextureMarchDollase::GetName (   )  const [virtual]

Get the name of this object. Implements ObjCryst::ScatteringCorr.

unsigned int ObjCryst::TextureMarchDollase::GetNbPhase (   )  const

REAL ObjCryst::TextureMarchDollase::GetPhaseH (  const unsigned int  i  )  const

REAL ObjCryst::TextureMarchDollase::GetPhaseK (  const unsigned int  i  )  const

REAL ObjCryst::TextureMarchDollase::GetPhaseL (  const unsigned int  i  )  const

virtual void ObjCryst::TextureMarchDollase::GlobalOptRandomMove (  const REAL  mutationAmplitude, const RefParType *  type = gpRefParTypeObjCryst )  [virtual]

Make a random move of the current configuration. This is for global optimization algorithms. the moves for each parameter are less than their global optimization step, multiplied by the mutation amplitude. Warning: : this makes a random move for the parameter declared for this object, and it is the duty of the object to decide whether the included objects should be moved and how. (eg an algorithm should only call for a move with the top object, and this object decides how he and his sub-objects moves). By default (RefinableObj implementation) all included objects are moved recursively. RefinableObj:: Parameters: mutationAmplitude:  multiplier for the maximum move amplitude, for all parameters type:  restrain the change exclusively to parameters of a given type (same type or descendant from this RefParType). Reimplemented from ObjCryst::RefinableObj.

void ObjCryst::TextureMarchDollase::SetPhasePar (  const unsigned int  i, const REAL  fraction, const REAL  coeffMarch, const REAL  h, const REAL  k, const REAL  l )

virtual void ObjCryst::TextureMarchDollase::TagNewBestConfig (   )  const [virtual]

During a global optimization, tells the object that the current config is the latest "best" config. This can be used by the object to make more intellingent random moves (use with caution: highly experimental !). Reimplemented from ObjCryst::RefinableObj.

virtual void ObjCryst::TextureMarchDollase::XMLInput (  istream &  is, const XMLCrystTag &  tag )  [virtual]

Input From stream. Todo: Add an bool XMLInputTag(is,tag) function to recognize all the tags from the stream. So that each inherited class can use the XMLInputTag function from its parent (ie take advantage of inheritance). The children class would first try to interpret the tag, then if unsuccessful would pass it to its parent (thus allowing overloading), etc... Reimplemented from ObjCryst::RefinableObj.

virtual void ObjCryst::TextureMarchDollase::XMLOutput (  ostream &  os, int  indent = 0 )  const [virtual]

Output to stream in well-formed XML. Todo: Use inheritance.. as for XMLInputTag()... Reimplemented from ObjCryst::RefinableObj.

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Member Data Documentation

RefinableObjClock ObjCryst::TextureMarchDollase::mClockTexturePar [protected]

unsigned long ObjCryst::TextureMarchDollase::mNbReflUsed [mutable, protected]

Number of reflexion for which the calculation is actually done. This is automaticaly updated during CalcCorr, from the parent ScatteringData::GetMaxSinThetaOvLambda()

ObjRegistry<TexturePhaseMarchDollase> ObjCryst::TextureMarchDollase::mPhaseRegistry [protected]

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

• ScatteringCorr.h

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