AddOption(RefObjOpt *opt) | ObjCryst::RefinableObj | protected |
AddPar(const RefinablePar &newRefPar) | ObjCryst::RefinableObj | |
AddPar(RefinablePar *newRefPar) | ObjCryst::RefinableObj | |
AddPar(RefinableObj &newRefParList, const bool copyParam=false) | ObjCryst::RefinableObj | |
AddRestraint(Restraint *pNewRestraint) | ObjCryst::RefinableObj | |
AddSubRefObj(RefinableObj &) | ObjCryst::RefinableObj | protected |
Atom() | ObjCryst::Atom | |
Atom(const REAL x, const REAL y, const REAL z, const string &name, const ScatteringPower *pow) | ObjCryst::Atom | |
Atom(const REAL x, const REAL y, const REAL z, const string &name, const ScatteringPower *pow, const REAL popu) | ObjCryst::Atom | |
Atom(const Atom &old) | ObjCryst::Atom | |
BeginGlobalOptRandomMove() | ObjCryst::RefinableObj | |
BeginOptimization(const bool allowApproximations=false, const bool enableRestraints=false) | ObjCryst::RefinableObj | virtual |
ClearParamSet(const unsigned long id) const | ObjCryst::RefinableObj | |
CreateCopy() const | ObjCryst::Atom | 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 |
FindParamSet(unsigned long id) const | ObjCryst::RefinableObj | protected |
FixAllPar() | ObjCryst::RefinableObj | |
GetClassName() const | ObjCryst::Atom | virtual |
GetClientRegistry() const | ObjCryst::RefinableObj | virtual |
GetClientRegistry() | ObjCryst::RefinableObj | virtual |
GetClockMaster() const | ObjCryst::RefinableObj | |
GetClockScattCompList() const | ObjCryst::Scatterer | protected |
GetClockScatterer() const | ObjCryst::Scatterer | |
GetClockScatterer() | ObjCryst::Scatterer | |
GetColour() const | ObjCryst::Scatterer | virtual |
GetColourRGB() const | ObjCryst::Scatterer | virtual |
GetComponentName(const int i) const | ObjCryst::Atom | virtual |
GetCrystal() const | ObjCryst::Scatterer | |
GetCrystal() | ObjCryst::Scatterer | |
GetGeneGroup(const RefinableObj &obj, CrystVector_uint &groupIndex, unsigned int &firstGroup) const | ObjCryst::Atom | virtual |
GetLogLikelihood() const | ObjCryst::RefinableObj | virtual |
GetLSQ_FullDeriv(const unsigned int, std::set< RefinablePar * > &vPar) | 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 |
GetMass() const | ObjCryst::Atom | |
GetName() const | ObjCryst::RefinableObj | virtual |
GetNbComponent() const | ObjCryst::Atom | virtual |
GetNbLSQFunction() const | ObjCryst::RefinableObj | virtual |
GetNbOption() const | ObjCryst::RefinableObj | |
GetNbPar() const | ObjCryst::RefinableObj | |
GetNbParNotFixed() const | ObjCryst::RefinableObj | |
GetOccupancy() const | ObjCryst::Scatterer | |
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::Atom | |
GetRefParListClock() const | ObjCryst::RefinableObj | |
GetRestraintCost() const | ObjCryst::RefinableObj | virtual |
GetScatteringComponentList() const | ObjCryst::Atom | virtual |
GetScatteringPower() const | ObjCryst::Atom | |
GetSubObjRegistry() | ObjCryst::RefinableObj | |
GetSubObjRegistry() const | ObjCryst::RefinableObj | |
GetX() const | ObjCryst::Scatterer | |
GetY() const | ObjCryst::Scatterer | |
GetZ() const | ObjCryst::Scatterer | |
GLInitDisplayList(const bool onlyIndependentAtoms=false, const REAL xMin=-.1, const REAL xMax=1.1, const REAL yMin=-.1, const REAL yMax=1.1, const REAL zMin=-.1, const REAL zMax=1.1, const bool displayEnantiomer=false, const bool displayNames=false, const bool hideHydrogens=false) const | ObjCryst::Atom | virtual |
GlobalOptRandomMove(const REAL mutationAmplitude, const RefParType *type=gpRefParTypeObjCryst) | ObjCryst::RefinableObj | virtual |
Init(const REAL x, const REAL y, const REAL z, const string &name, const ScatteringPower *pow, const REAL popu=1) | ObjCryst::Atom | |
InitRefParList() | ObjCryst::Atom | privatevirtual |
InitRGBColour() | ObjCryst::Scatterer | protectedvirtual |
IsBeingRefined() const | ObjCryst::RefinableObj | |
IsDummy() const | ObjCryst::Atom | |
mClientObjRegistry | ObjCryst::RefinableObj | mutableprotected |
mClockMaster | ObjCryst::RefinableObj | protected |
mClockScattCompList | ObjCryst::Scatterer | mutableprotected |
mClockScatterer | ObjCryst::Scatterer | protected |
mColourName | ObjCryst::Scatterer | protected |
mColourRGB | ObjCryst::Scatterer | protected |
mDeleteRefParInDestructor | ObjCryst::RefinableObj | protected |
mLSQ_FullDeriv | ObjCryst::RefinableObj | mutableprotected |
mLSQDeriv | ObjCryst::RefinableObj | mutableprotected |
mName | ObjCryst::RefinableObj | protected |
mNbRefParNotFixed | ObjCryst::RefinableObj | mutableprotected |
mOccupancy | ObjCryst::Scatterer | protected |
mOptimizationDepth | ObjCryst::RefinableObj | protected |
mOptionRegistry | ObjCryst::RefinableObj | protected |
mpCryst | ObjCryst::Scatterer | protected |
mpScattPowAtom | ObjCryst::Atom | private |
mRandomMoveIsDone | ObjCryst::RefinableObj | protected |
mRefParListClock | ObjCryst::RefinableObj | protected |
mRefparNotFixedIndex | ObjCryst::RefinableObj | mutableprotected |
mScattCompList | ObjCryst::Atom | mutableprivate |
mSubObjRegistry | ObjCryst::RefinableObj | protected |
mvpRefPar | ObjCryst::RefinableObj | protected |
mvpRestraint | ObjCryst::RefinableObj | protected |
mvpSavedValuesSet | ObjCryst::RefinableObj | mutableprotected |
mXYZ | ObjCryst::Scatterer | protected |
operator string() const | ObjCryst::Scatterer | |
operator=(const Atom &rhs) (defined in ObjCryst::Atom) | ObjCryst::Atom | virtual |
ObjCryst::Scatterer::operator=(const RefinableObj &old) | ObjCryst::RefinableObj | |
POVRayDescription(ostream &os, const CrystalPOVRayOptions &options) const | ObjCryst::Atom | virtual |
Prepare() | ObjCryst::RefinableObj | protectedvirtual |
PrepareForRefinement() const | ObjCryst::RefinableObj | |
Print() const | ObjCryst::Atom | 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 | |
Scatterer() | ObjCryst::Scatterer | |
Scatterer(const Scatterer &old) | ObjCryst::Scatterer | |
SetApproximationFlag(const bool allow) | ObjCryst::RefinableObj | virtual |
SetCrystal(Crystal &) | ObjCryst::Scatterer | |
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 |
SetOccupancy(const REAL occupancy) | ObjCryst::Scatterer | 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 | |
SetX(const REAL x) | ObjCryst::Scatterer | virtual |
SetY(const REAL y) | ObjCryst::Scatterer | virtual |
SetZ(const REAL z) | ObjCryst::Scatterer | virtual |
TagNewBestConfig() const | ObjCryst::RefinableObj | virtual |
UnFixAllPar() | ObjCryst::RefinableObj | |
UpdateDisplay() const | ObjCryst::RefinableObj | virtual |
XMLInput(istream &is, const XMLCrystTag &tag) | ObjCryst::Atom | virtual |
XMLOutput(ostream &os, int indent=0) const | ObjCryst::Atom | virtual |
~Atom() | ObjCryst::Atom | |
~RefinableObj() | ObjCryst::RefinableObj | virtual |
~Scatterer() | ObjCryst::Scatterer | virtual |