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Public Member Functions |
| LSQNumObj (std::string objName="Unnamed LSQ object") |
| ~LSQNumObj () |
void | SetParIsFixed (const std::string &parName, const bool fix) |
| Fix one parameter.
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void | SetParIsFixed (const RefParType *type, const bool fix) |
| Fix one family of parameters.
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void | UnFixAllPar () |
| UnFix All parameters.
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void | SetParIsUsed (const std::string &parName, const bool use) |
| Set a parameter to be used.
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void | SetParIsUsed (const RefParType *type, const bool use) |
| Set a family of parameters to be used.
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void | Refine (int nbCycle=1, bool useLevenbergMarquardt=false, const bool silent=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.
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void | SetUseSaveFileOnEachCycle (bool yesOrNo=true) |
void | SetSaveFile (std::string fileName="refine.save") |
void | PrintRefResults () const |
void | SetDampingFactor (const REAL newDampFact) |
void | PurgeSaveFile () |
void | WriteReportToFile () const |
void | OptimizeDerivativeSteps () |
const std::map< pair< const
RefinablePar *, const RefinablePar * >,
REAL > & | GetVarianceCovarianceMap () const |
Private Member Functions |
void | PrepareRefParList () |
| Prepare mRefParList for the refinement.
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Private Attributes |
ObjRegistry< RefinableObj > | mRecursiveRefinedObjList |
| The recursive list of all refined sub-objects.
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RefinableObj | mRefParList |
| The refinable par list used during refinement.
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REAL | mDampingFactor |
| Damping factor for the refinement (unused yet...).
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bool | mSaveReportOnEachCycle |
| Save result to file after each cycle ?
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std::string | mName |
| Name of the refined object.
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std::string | mSaveFileName |
| File name where refinement info is saved.
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REAL | mR |
REAL | mRw |
REAL | mChiSq |
CrystMatrix_REAL | mCorrelMatrix |
| Correlation matrix between all refined parameters.
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std::map< pair< const RefinablePar *,
const RefinablePar * >, REAL > | mvVarCovar |
| Variance-Covariance matrix, as a std::map.
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CrystVector_REAL | mObs |
| Observed values.
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CrystVector_REAL | mWeight |
| Weight corresponding to all observed values.
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int | mIndexValuesSetInitial |
| Index of the set of saved values for all refinable parameters, before refinement and before the last cycle.
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int | mIndexValuesSetLast |
| Index of the set of saved values for all refinable parameters, before refinement and before the last cycle.
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bool | mStopAfterCycle |
| If true, then stop at the end of the cycle. Used in multi-threading environment.
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RefinableObj * | mpRefinedObj |
| The opitimized object.
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unsigned int | mLSQFuncIndex |
| The index of the LSQ function in the refined object (if there are several...).
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