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LSQNumObj Class Reference

(Quick & dirty) Least-Squares Refinement Object with Numerical derivatives. More...

#include <LSQNumObj.h>

List of all members.

Public Methods

 LSQNumObj (string objName="Unnamed LSQ object")
 ~LSQNumObj ()
void SetParIsFixed (const string &parName, const bool fix)
 Fix one parameter.

void SetParIsFixed (const RefParType *type, const bool fix)
 Fix one family of parameters.

void UnFixAllPar ()
 UnFix All parameters.

void SetParIsUsed (const string &parName, const bool use)
 Set a parameter to be used.

void SetParIsUsed (const RefParType *type, const bool use)
 Set a family of parameters to be used.

void Refine (int nbCycle=1, bool useLevenbergMarquardt=false)
CrystVector_REAL Sigma () const
CrystMatrix_REAL CorrelMatrix () const
REAL Rfactor () const
REAL RwFactor () const
REAL ChiSquare () const
void SetRefinedObj (RefinableObj &obj, const unsigned int LSQFuncIndex=0)
 Add an object to refine.

void SetUseSaveFileOnEachCycle (bool yesOrNo=true)
void SetSaveFile (string fileName="refine.save")
void PrintRefResults () const
void SetDampingFactor (const REAL newDampFact)
void PurgeSaveFile ()
void WriteReportToFile () const
void OptimizeDerivativeSteps ()

Private Methods

void PrepareRefParList ()
 Prepare mRefParList for the refinement.


Private Attributes

ObjRegistry< RefinableObj > mRecursiveRefinedObjList
 The recursive list of all refined sub-objects.

RefinableObj mRefParList
 The refinable par list used during refinement. Only a compilation of the parameters in RefinableObj and its sub-objects.

REAL mDampingFactor
 Damping factor for the refinement (unused yet...).

bool mSaveReportOnEachCycle
 Save result to file after each cycle ?

string mName
 Name of the refined object.

string mSaveFileName
 File name where refinement info is saved.

REAL mR
REAL mRw
REAL mChiSq
CrystMatrix_REAL mCorrelMatrix
 Correlation matrix between all refined parameters.

CrystVector_REAL mObs
 Observed values.

CrystVector_REAL mWeight
 Weight corresponding to all observed values.

int mIndexValuesSetInitial
 Index of the set of saved values for all refinable parameters, before refinement and before the last cycle.

int mIndexValuesSetLast
 Index of the set of saved values for all refinable parameters, before refinement and before the last cycle.

bool mStopAfterCycle
 If true, then stop at the end of the cycle. Used in multi-threading environment.

RefinableObj * mpRefinedObj
 The opitimized object.

unsigned int mLSQFuncIndex
 The index of the LSQ function in the refined object (if there are several...).


Detailed Description

(Quick & dirty) Least-Squares Refinement Object with Numerical derivatives.

This is still highly experimental !


The documentation for this class was generated from the following file:
Generated on Tue Feb 5 17:37:19 2002 for ObjCryst++ by doxygen1.2.13.1 written by Dimitri van Heesch, © 1997-2001