AddAtom(const string &name, const ScatteringPower *pow, const long atomBond, const REAL bondLength, const long atomAngle, const REAL bondAngle, const long atomDihedral, const REAL dihedralAngle, const REAL popu=1.) | ObjCryst::ZScatterer | |
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 |
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::ZScatterer | virtual |
CreateParamSet(const string name="") const | ObjCryst::RefinableObj | |
DeRegisterClient(RefinableObj &) const | ObjCryst::RefinableObj | virtual |
EndOptimization() | ObjCryst::ZScatterer | virtual |
EraseAllParamSet() | ObjCryst::RefinableObj | |
ExportFenskeHallZMatrix(ostream &os) | ObjCryst::ZScatterer | |
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 | |
GetCenterAtomIndex() const | ObjCryst::ZScatterer | |
GetChi() const | ObjCryst::ZScatterer | |
GetClassName() const | ObjCryst::ZScatterer | 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::ZScatterer | virtual |
GetCrystal() const | ObjCryst::Scatterer | |
GetCrystal() | ObjCryst::Scatterer | |
GetGeneGroup(const RefinableObj &obj, CrystVector_uint &groupIndex, unsigned int &firstGroup) const | ObjCryst::ZScatterer | 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 |
GetName() const | ObjCryst::RefinableObj | virtual |
GetNbComponent() const | ObjCryst::ZScatterer | 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 | |
GetPhi() const | ObjCryst::ZScatterer | |
GetPsi() const | ObjCryst::ZScatterer | |
GetRefParListClock() const | ObjCryst::RefinableObj | |
GetRestraintCost() const | ObjCryst::RefinableObj | virtual |
GetScatteringComponentList() const | ObjCryst::ZScatterer | virtual |
GetSubObjRegistry() | ObjCryst::RefinableObj | |
GetSubObjRegistry() const | ObjCryst::RefinableObj | |
GetX() const | ObjCryst::Scatterer | |
GetXCoord() const | ObjCryst::ZScatterer | |
GetY() const | ObjCryst::Scatterer | |
GetYCoord() const | ObjCryst::ZScatterer | |
GetZ() const | ObjCryst::Scatterer | |
GetZAngle(const int i) const | ObjCryst::ZScatterer | |
GetZAngleAtom(const int i) const | ObjCryst::ZScatterer | |
GetZAtomRegistry() const | ObjCryst::ZScatterer | |
GetZAtomX(const int i) const | ObjCryst::ZScatterer | |
GetZAtomY(const int i) const | ObjCryst::ZScatterer | |
GetZAtomZ(const int i) const | ObjCryst::ZScatterer | |
GetZBondAtom(const int i) const | ObjCryst::ZScatterer | |
GetZBondLength(const int i) const | ObjCryst::ZScatterer | |
GetZCoord() const | ObjCryst::ZScatterer | |
GetZDihedralAngle(const int i) const | ObjCryst::ZScatterer | |
GetZDihedralAngleAtom(const int i) const | ObjCryst::ZScatterer | |
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::ZScatterer | virtual |
GlobalOptRandomMove(const REAL mutationAmplitude, const RefParType *type=gpRefParTypeObjCryst) | ObjCryst::ZScatterer | virtual |
ImportFenskeHallZMatrix(istream &is, bool named=false) | ObjCryst::ZScatterer | |
InitRefParList() | ObjCryst::ZScatterer | privatevirtual |
InitRGBColour() | ObjCryst::Scatterer | protectedvirtual |
IsBeingRefined() const | ObjCryst::RefinableObj | |
m3DDisplayIndex | ObjCryst::ZScatterer | protected |
mCenterAtomIndex | ObjCryst::ZScatterer | private |
mChi (defined in ObjCryst::ZScatterer) | ObjCryst::ZScatterer | private |
mClientObjRegistry | ObjCryst::RefinableObj | mutableprotected |
mClockCoord | ObjCryst::ZScatterer | mutableprivate |
mClockMaster | ObjCryst::RefinableObj | protected |
mClockScattCompList | ObjCryst::Scatterer | mutableprotected |
mClockScatterer | ObjCryst::Scatterer | protected |
mColourName | ObjCryst::Scatterer | protected |
mColourRGB | ObjCryst::Scatterer | protected |
mComponentIndex | ObjCryst::ZScatterer | private |
mDeleteRefParInDestructor | ObjCryst::RefinableObj | protected |
mLSQ_FullDeriv | ObjCryst::RefinableObj | mutableprotected |
mLSQDeriv | ObjCryst::RefinableObj | mutableprotected |
mName | ObjCryst::RefinableObj | protected |
mNbAtom | ObjCryst::ZScatterer | protected |
mNbDummyAtom | ObjCryst::ZScatterer | private |
mNbRefParNotFixed | ObjCryst::RefinableObj | mutableprotected |
mOccupancy | ObjCryst::Scatterer | protected |
mOptimizationDepth | ObjCryst::RefinableObj | protected |
mOptionRegistry | ObjCryst::RefinableObj | protected |
mpCryst | ObjCryst::Scatterer | protected |
mpGlobalScattPow | ObjCryst::ZScatterer | private |
mPhi | ObjCryst::ZScatterer | private |
mPhiChiPsiMatrix | ObjCryst::ZScatterer | mutableprivate |
mPsi (defined in ObjCryst::ZScatterer) | ObjCryst::ZScatterer | private |
mpZMoveMinimizer (defined in ObjCryst::ZScatterer) | ObjCryst::ZScatterer | private |
mRandomMoveIsDone | ObjCryst::RefinableObj | protected |
mRefParListClock | ObjCryst::RefinableObj | protected |
mRefparNotFixedIndex | ObjCryst::RefinableObj | mutableprotected |
mScattCompList | ObjCryst::ZScatterer | mutableprotected |
mSubObjRegistry | ObjCryst::RefinableObj | protected |
mUseGlobalScattPow | ObjCryst::ZScatterer | private |
mvpRefPar | ObjCryst::RefinableObj | protected |
mvpRestraint | ObjCryst::RefinableObj | protected |
mvpSavedValuesSet | ObjCryst::RefinableObj | mutableprotected |
mXCoord | ObjCryst::ZScatterer | mutableprivate |
mXYZ | ObjCryst::Scatterer | protected |
mYCoord (defined in ObjCryst::ZScatterer) | ObjCryst::ZScatterer | mutableprivate |
mZAtomRegistry | ObjCryst::ZScatterer | private |
mZCoord (defined in ObjCryst::ZScatterer) | ObjCryst::ZScatterer | mutableprivate |
operator string() const | ObjCryst::Scatterer | |
operator=(const RefinableObj &old) | ObjCryst::RefinableObj | |
POVRayDescription(ostream &os, const CrystalPOVRayOptions &options) const | ObjCryst::ZScatterer | virtual |
Prepare() | ObjCryst::RefinableObj | protectedvirtual |
PrepareForRefinement() const | ObjCryst::RefinableObj | |
Print() const | ObjCryst::ZScatterer | 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 |
SetCenterAtomIndex(const unsigned int) | ObjCryst::ZScatterer | |
SetChi(const REAL) | ObjCryst::ZScatterer | |
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 | |
SetPhi(const REAL) | ObjCryst::ZScatterer | |
SetPsi(const REAL) | ObjCryst::ZScatterer | |
SetUseGlobalScatteringPower(const bool useIt) | ObjCryst::ZScatterer | virtual |
SetX(const REAL x) | ObjCryst::Scatterer | virtual |
SetY(const REAL y) | ObjCryst::Scatterer | virtual |
SetZ(const REAL z) | ObjCryst::Scatterer | virtual |
SetZAngle(const int i, const REAL) | ObjCryst::ZScatterer | |
SetZBondLength(const int i, const REAL) | ObjCryst::ZScatterer | |
SetZDihedralAngle(const int i, const REAL) | ObjCryst::ZScatterer | |
TagNewBestConfig() const | ObjCryst::RefinableObj | virtual |
UnFixAllPar() | ObjCryst::RefinableObj | |
UpdateCoordinates() const | ObjCryst::ZScatterer | protected |
UpdateDisplay() const | ObjCryst::RefinableObj | virtual |
UpdateScattCompList() const | ObjCryst::ZScatterer | protected |
XMLInput(istream &is, const XMLCrystTag &tag) | ObjCryst::ZScatterer | virtual |
XMLOutput(ostream &os, int indent=0) const | ObjCryst::ZScatterer | virtual |
ZScatterer(const string &name, Crystal &cryst, const REAL x=0., const REAL y=0., const REAL z=0., const REAL phi=0., const REAL chi=0., const REAL psi=0.) | ObjCryst::ZScatterer | |
ZScatterer(const ZScatterer &old) | ObjCryst::ZScatterer | |
~RefinableObj() | ObjCryst::RefinableObj | virtual |
~Scatterer() | ObjCryst::Scatterer | virtual |
~ZScatterer() (defined in ObjCryst::ZScatterer) | ObjCryst::ZScatterer | |