#include <LSQNumObj.h>
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...). |
This is still highly experimental !