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] |
ClearParamSet(const unsigned long id) const | ObjCryst::RefinableObj | |
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] |
FindParamSet(unsigned long id) const | ObjCryst::RefinableObj | [protected] |
FixAllPar() | ObjCryst::RefinableObj | |
GetBiso() const | ObjCryst::ScatteringPower | |
GetBiso() | ObjCryst::ScatteringPower | |
GetClassName() const | ObjCryst::ScatteringPower | [virtual] |
GetClockMaster() const | ObjCryst::RefinableObj | |
GetColourName() const | ObjCryst::ScatteringPower | |
GetColourRGB() const | ObjCryst::ScatteringPower | |
GetDynPopCorrIndex() const | ObjCryst::ScatteringPower | |
GetFormalCharge() const (defined in ObjCryst::ScatteringPower) | ObjCryst::ScatteringPower | [virtual] |
GetForwardScatteringFactor(const RadiationType) const | ObjCryst::GlobalScatteringPower | [virtual] |
GetGeneGroup(const RefinableObj &obj, CrystVector_uint &groupIndex, unsigned int &firstGroup) const | ObjCryst::ScatteringPower | [virtual] |
GetLastChangeClock() const | ObjCryst::ScatteringPower | |
GetLogLikelihood() const | ObjCryst::RefinableObj | [virtual] |
GetLSQCalc(const unsigned int) const | ObjCryst::RefinableObj | [virtual] |
GetLSQDeriv(const unsigned int, RefinablePar &) | ObjCryst::RefinableObj | [virtual] |
GetLSQObs(const unsigned int) const | ObjCryst::RefinableObj | [virtual] |
GetLSQWeight(const unsigned int) const | ObjCryst::RefinableObj | [virtual] |
GetMaximumLikelihoodNbGhostAtom() const | ObjCryst::ScatteringPower | |
GetMaximumLikelihoodParClock() const | ObjCryst::ScatteringPower | |
GetMaximumLikelihoodPositionError() const | ObjCryst::ScatteringPower | |
GetName() const | ObjCryst::RefinableObj | [virtual] |
GetNbLSQFunction() const | ObjCryst::RefinableObj | [virtual] |
GetNbOption() const | ObjCryst::RefinableObj | |
GetNbPar() const | ObjCryst::RefinableObj | |
GetNbParNotFixed() const | ObjCryst::RefinableObj | |
GetNbScatteringPower() const | ObjCryst::ScatteringPower | |
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 unsigned long setId) const | ObjCryst::RefinableObj | |
GetParamSet(const unsigned long setId) | ObjCryst::RefinableObj | |
GetParamSet_ParNotFixedHumanValue(const unsigned long setId, const long parNumber) const | ObjCryst::RefinableObj | |
GetParamSetName(const unsigned long setId) const | ObjCryst::RefinableObj | |
GetParNotFixed(const long i) | ObjCryst::RefinableObj | |
GetParNotFixed(const long i) const | ObjCryst::RefinableObj | |
GetRadius() const | ObjCryst::GlobalScatteringPower | [virtual] |
GetRefParListClock() const | ObjCryst::RefinableObj | |
GetResonantScattFactImag(const ScatteringData &data, const int spgSymPosIndex=0) const | ObjCryst::GlobalScatteringPower | [virtual] |
GetResonantScattFactReal(const ScatteringData &data, const int spgSymPosIndex=0) const | ObjCryst::GlobalScatteringPower | [virtual] |
GetRestraintCost() const | ObjCryst::RefinableObj | [virtual] |
GetScatteringFactor(const ScatteringData &data, const int spgSymPosIndex=0) const | ObjCryst::GlobalScatteringPower | [virtual] |
GetSubObjRegistry() | ObjCryst::RefinableObj | |
GetSubObjRegistry() const | ObjCryst::RefinableObj | |
GetSymbol() const | ObjCryst::ScatteringPower | [virtual] |
GetTemperatureFactor(const ScatteringData &data, const int spgSymPosIndex=0) const | ObjCryst::GlobalScatteringPower | [virtual] |
GlobalOptRandomMove(const REAL mutationAmplitude, const RefParType *type=gpRefParTypeObjCryst) | ObjCryst::RefinableObj | [virtual] |
GlobalScatteringPower() (defined in ObjCryst::GlobalScatteringPower) | ObjCryst::GlobalScatteringPower | |
GlobalScatteringPower(const ZScatterer &scatt) (defined in ObjCryst::GlobalScatteringPower) | ObjCryst::GlobalScatteringPower | |
GlobalScatteringPower(const GlobalScatteringPower &old) (defined in ObjCryst::GlobalScatteringPower) | ObjCryst::GlobalScatteringPower | |
Init(const ZScatterer &scatt) | ObjCryst::GlobalScatteringPower | |
ObjCryst::ScatteringPower::Init() | ObjCryst::ScatteringPower | [protected, virtual] |
InitRefParList() (defined in ObjCryst::GlobalScatteringPower) | ObjCryst::GlobalScatteringPower | [protected, virtual] |
InitRGBColour() | ObjCryst::ScatteringPower | [protected, virtual] |
IsBeingRefined() const | ObjCryst::RefinableObj | |
IsIsotropic() const | ObjCryst::ScatteringPower | |
IsResonantScatteringAnisotropic() const | ObjCryst::ScatteringPower | [virtual] |
IsScatteringFactorAnisotropic() const | ObjCryst::ScatteringPower | [virtual] |
IsTemperatureFactorAnisotropic() const | ObjCryst::ScatteringPower | [virtual] |
mBeta | ObjCryst::ScatteringPower | [protected] |
mBiso | ObjCryst::ScatteringPower | [protected] |
mClientObjRegistry | ObjCryst::RefinableObj | [mutable, protected] |
mClock | ObjCryst::ScatteringPower | [protected] |
mClockMaster | ObjCryst::RefinableObj | [protected] |
mColourName | ObjCryst::ScatteringPower | [protected] |
mColourRGB | ObjCryst::ScatteringPower | [protected] |
mDeleteRefParInDestructor | ObjCryst::RefinableObj | [protected] |
mDynPopCorrIndex | ObjCryst::ScatteringPower | [protected] |
mFormalCharge | ObjCryst::ScatteringPower | [protected] |
mIsbeingRefined | ObjCryst::RefinableObj | [protected] |
mIsIsotropic | ObjCryst::ScatteringPower | [protected] |
mLSQDeriv | ObjCryst::RefinableObj | [mutable, protected] |
mMaximumLikelihoodNbGhost | ObjCryst::ScatteringPower | [protected] |
mMaximumLikelihoodParClock (defined in ObjCryst::ScatteringPower) | ObjCryst::ScatteringPower | [protected] |
mMaximumLikelihoodPositionError | ObjCryst::ScatteringPower | [protected] |
mName | ObjCryst::RefinableObj | [protected] |
mNbRefParNotFixed | ObjCryst::RefinableObj | [mutable, protected] |
mOptionRegistry | ObjCryst::RefinableObj | [protected] |
mpZScatterer | ObjCryst::GlobalScatteringPower | [protected] |
mRandomMoveIsDone | ObjCryst::RefinableObj | [protected] |
mRefParListClock | ObjCryst::RefinableObj | [protected] |
mRefparNotFixedIndex | ObjCryst::RefinableObj | [mutable, protected] |
mSubObjRegistry | ObjCryst::RefinableObj | [protected] |
mvpRefPar | ObjCryst::RefinableObj | [protected] |
mvpRestraint | ObjCryst::RefinableObj | [protected] |
mvpSavedValuesSet | ObjCryst::RefinableObj | [mutable, protected] |
operator=(const ScatteringPower &rhs) (defined in ObjCryst::ScatteringPower) | ObjCryst::ScatteringPower | [virtual] |
ObjCryst::RefinableObj::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] |
RefinableObj() | ObjCryst::RefinableObj | |
RefinableObj(const bool internalUseOnly) | ObjCryst::RefinableObj | |
RefinableObj(const RefinableObj &old) | ObjCryst::RefinableObj | |
RegisterClient(RefinableObj &) const | ObjCryst::RefinableObj | [virtual] |
RemovePar(RefinablePar *refPar) | ObjCryst::RefinableObj | |
RemoveRestraint(Restraint *pRestraint) | ObjCryst::RefinableObj | |
RemoveSubRefObj(RefinableObj &) | ObjCryst::RefinableObj | [protected] |
ResetParList() | ObjCryst::RefinableObj | |
RestoreParamSet(const unsigned long id) | ObjCryst::RefinableObj | |
SaveParamSet(const unsigned long id) const | ObjCryst::RefinableObj | |
ScatteringPower() (defined in ObjCryst::ScatteringPower) | ObjCryst::ScatteringPower | |
ScatteringPower(const ScatteringPower &old) (defined in ObjCryst::ScatteringPower) | ObjCryst::ScatteringPower | |
SetBiso(const REAL newB) | ObjCryst::ScatteringPower | [virtual] |
SetColour(const string &colorName) | ObjCryst::ScatteringPower | |
SetColour(const float r, const float g, const float b) | ObjCryst::ScatteringPower | |
SetDeleteRefParInDestructor(const bool b) | ObjCryst::RefinableObj | |
SetFormalCharge(const REAL charge) (defined in ObjCryst::ScatteringPower) | ObjCryst::ScatteringPower | [virtual] |
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 | |
SetMaximumLikelihoodNbGhostAtom(const REAL nb) | ObjCryst::ScatteringPower | |
SetMaximumLikelihoodPositionError(const REAL mle) | ObjCryst::ScatteringPower | |
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 | |
TagNewBestConfig() const | ObjCryst::RefinableObj | [virtual] |
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] |
~GlobalScatteringPower() (defined in ObjCryst::GlobalScatteringPower) | ObjCryst::GlobalScatteringPower | |
~RefinableObj() | ObjCryst::RefinableObj | [virtual] |
~ScatteringPower() (defined in ObjCryst::ScatteringPower) | ObjCryst::ScatteringPower | [virtual] |