AddOption(RefObjOpt *opt) | ObjCryst::RefinableObj | [protected] |
AddPar(const RefinablePar &newRefPar) | ObjCryst::RefinableObj | |
AddPar(RefinablePar *newRefPar) | ObjCryst::RefinableObj | |
AddPar(RefinableObj &newRefParList) | ObjCryst::RefinableObj | |
AddRestraint(Restraint *pNewRestraint) | ObjCryst::RefinableObj | |
AddSubRefObj(RefinableObj &) | ObjCryst::RefinableObj | [protected] |
BeginGlobalOptRandomMove() | ObjCryst::RefinableObj | |
BeginOptimization(const bool allowApproximations=false, const bool enableRestraints=false) | ObjCryst::RefinableObj | [virtual] |
CreateParamSet(const string name="") const | ObjCryst::RefinableObj | |
DeRegisterClient(RefinableObj &) const | ObjCryst::RefinableObj | [virtual] |
EndOptimization() | ObjCryst::RefinableObj | [virtual] |
EraseAllParamSet() | ObjCryst::RefinableObj | |
FindPar(const string &name) const | ObjCryst::RefinableObj | [protected] |
FindPar(const REAL *) const | ObjCryst::RefinableObj | [protected] |
FixAllPar() | ObjCryst::RefinableObj | |
GetClassName() const | ObjCryst::RefinableObj | [virtual] |
GetCostFunctionDescription(const unsigned int) const | ObjCryst::ZMoveMinimizer | [virtual] |
GetCostFunctionName(const unsigned int) const | ObjCryst::ZMoveMinimizer | [virtual] |
GetCostFunctionValue(const unsigned int) | ObjCryst::ZMoveMinimizer | [virtual] |
GetGeneGroup(const RefinableObj &obj, CrystVector_uint &groupIndex, unsigned int &firstGroup) const | ObjCryst::RefinableObj | [virtual] |
GetLSQCalc(const unsigned int) const | ObjCryst::RefinableObj | [virtual] |
GetLSQObs(const unsigned int) const | ObjCryst::RefinableObj | [virtual] |
GetLSQWeight(const unsigned int) const | ObjCryst::RefinableObj | [virtual] |
GetName() const | ObjCryst::RefinableObj | [virtual] |
GetNbCostFunction() const | ObjCryst::ZMoveMinimizer | [virtual] |
GetNbLSQFunction() const | ObjCryst::RefinableObj | [virtual] |
GetNbOption() const | ObjCryst::RefinableObj | |
GetNbPar() const | ObjCryst::RefinableObj | |
GetNbParNotFixed() const | ObjCryst::RefinableObj | |
GetOption(const unsigned int i) | ObjCryst::RefinableObj | |
GetOption(const unsigned int i) const | ObjCryst::RefinableObj | |
GetPar(const long i) | ObjCryst::RefinableObj | |
GetPar(const long i) const | ObjCryst::RefinableObj | |
GetPar(const string &name) | ObjCryst::RefinableObj | |
GetPar(const string &name) const | ObjCryst::RefinableObj | |
GetPar(const REAL *) | ObjCryst::RefinableObj | |
GetPar(const REAL *) const | ObjCryst::RefinableObj | |
GetParamSet(const long setId) const | ObjCryst::RefinableObj | |
GetParamSet(const long setId) | ObjCryst::RefinableObj | |
GetParamSet_ParNotFixedHumanValue(const long setId, const long parNumber) const | ObjCryst::RefinableObj | |
GetParNotFixed(const long i) | ObjCryst::RefinableObj | |
GetParNotFixed(const long i) const | ObjCryst::RefinableObj | |
GetRefParListClock() const | ObjCryst::RefinableObj | |
GetRestraintCost() const | ObjCryst::RefinableObj | [virtual] |
GetSubObjRegistry() | ObjCryst::RefinableObj | |
GetSubObjRegistry() const | ObjCryst::RefinableObj | |
GlobalOptRandomMove(const REAL mutationAmplitude) | ObjCryst::RefinableObj | [virtual] |
InitRandomSeedFromTime() const | ObjCryst::RefinableObj | [protected] |
IsBeingRefined() const | ObjCryst::RefinableObj | |
mAtomWeight (defined in ObjCryst::ZMoveMinimizer) | ObjCryst::ZMoveMinimizer | [private] |
mClientObjRegistry | ObjCryst::RefinableObj | [protected] |
mDeleteRefParInDestructor | ObjCryst::RefinableObj | [protected] |
MinimizeChange(long nbTrial=10000) (defined in ObjCryst::ZMoveMinimizer) | ObjCryst::ZMoveMinimizer | |
mIsbeingRefined | ObjCryst::RefinableObj | [protected] |
mMaxNbRefPar | ObjCryst::RefinableObj | [protected] |
mMaxNbRestraint | ObjCryst::RefinableObj | [protected] |
mMaxNbSavedSets | ObjCryst::RefinableObj | [protected, static] |
mName | ObjCryst::RefinableObj | [protected] |
mNbRefPar | ObjCryst::RefinableObj | [protected] |
mNbRefParNotFixed | ObjCryst::RefinableObj | [protected] |
mNbRestraint | ObjCryst::RefinableObj | [protected] |
mOptimObj (defined in ObjCryst::ZMoveMinimizer) | ObjCryst::ZMoveMinimizer | [private] |
mOptionRegistry | ObjCryst::RefinableObj | [protected] |
mpRefPar | ObjCryst::RefinableObj | [protected] |
mpRestraint | ObjCryst::RefinableObj | [protected] |
mpSavedValuesSet | ObjCryst::RefinableObj | [protected] |
mpSavedValuesSetName | ObjCryst::RefinableObj | [protected] |
mpZScatt (defined in ObjCryst::ZMoveMinimizer) | ObjCryst::ZMoveMinimizer | [private] |
mRandomMoveIsDone | ObjCryst::RefinableObj | [protected] |
mRefParListClock | ObjCryst::RefinableObj | [protected] |
mRefparNotFixedIndex | ObjCryst::RefinableObj | [protected] |
mSavedValuesSetIsUsed | ObjCryst::RefinableObj | [protected] |
mSubObjRegistry | ObjCryst::RefinableObj | [protected] |
mXCoord0 (defined in ObjCryst::ZMoveMinimizer) | ObjCryst::ZMoveMinimizer | [private] |
mYCoord0 (defined in ObjCryst::ZMoveMinimizer) | ObjCryst::ZMoveMinimizer | [private] |
mZCoord0 (defined in ObjCryst::ZMoveMinimizer) | ObjCryst::ZMoveMinimizer | [private] |
operator=(const RefinableObj &old) | ObjCryst::RefinableObj | |
Prepare() | ObjCryst::RefinableObj | [protected, virtual] |
PrepareForRefinement() const | ObjCryst::RefinableObj | |
Print() const (defined in ObjCryst::RefinableObj) | ObjCryst::RefinableObj | [virtual] |
RandomizeConfiguration() | ObjCryst::RefinableObj | [virtual] |
RecordConformation() (defined in ObjCryst::ZMoveMinimizer) | ObjCryst::ZMoveMinimizer | |
RefinableObj() | ObjCryst::RefinableObj | |
RefinableObj(const bool internalUseOnly) | ObjCryst::RefinableObj | |
RefinableObj(const RefinableObj &old) | ObjCryst::RefinableObj | |
RegisterClient(RefinableObj &) const | ObjCryst::RefinableObj | [virtual] |
RemoveSubRefObj(RefinableObj &) | ObjCryst::RefinableObj | [protected] |
ResetParList() | ObjCryst::RefinableObj | |
RestoreParamSet(const long id) | ObjCryst::RefinableObj | |
SaveParamSet(const long id) const | ObjCryst::RefinableObj | |
SetDeleteRefParInDestructor(const bool b) | ObjCryst::RefinableObj | |
SetGlobalOptimStep(const RefParType *type, const REAL step) | ObjCryst::RefinableObj | |
SetLimitsAbsolute(const string &parName, const REAL min, const REAL max) | ObjCryst::RefinableObj | |
SetLimitsAbsolute(const RefParType *type, const REAL min, const REAL max) | ObjCryst::RefinableObj | |
SetLimitsProportional(const string &parName, const REAL min, const REAL max) | ObjCryst::RefinableObj | |
SetLimitsProportional(const RefParType *type, const REAL min, const REAL max) | ObjCryst::RefinableObj | |
SetLimitsRelative(const string &parName, const REAL min, const REAL max) | ObjCryst::RefinableObj | |
SetLimitsRelative(const RefParType *type, const REAL min, const REAL max) | ObjCryst::RefinableObj | |
SetName(const string &name) | ObjCryst::RefinableObj | [virtual] |
SetParIsFixed(const long parIndex, const bool fix) | ObjCryst::RefinableObj | |
SetParIsFixed(const string &parName, const bool fix) | ObjCryst::RefinableObj | |
SetParIsFixed(const RefParType *type, const bool fix) | ObjCryst::RefinableObj | |
SetParIsUsed(const string &parName, const bool use) | ObjCryst::RefinableObj | |
SetParIsUsed(const RefParType *type, const bool use) | ObjCryst::RefinableObj | |
SetZAtomWeight(const CrystVector_REAL weight) (defined in ObjCryst::ZMoveMinimizer) | ObjCryst::ZMoveMinimizer | |
UnFixAllPar() | ObjCryst::RefinableObj | |
UpdateDisplay() const | ObjCryst::RefinableObj | [virtual] |
XMLInput(istream &is, const XMLCrystTag &tag) | ObjCryst::RefinableObj | [virtual] |
XMLOutput(ostream &os, int indent=0) const | ObjCryst::RefinableObj | [virtual] |
ZMoveMinimizer(ZScatterer &scatt) (defined in ObjCryst::ZMoveMinimizer) | ObjCryst::ZMoveMinimizer | |
~RefinableObj() | ObjCryst::RefinableObj | [virtual] |
~ZMoveMinimizer() (defined in ObjCryst::ZMoveMinimizer) | ObjCryst::ZMoveMinimizer | |