| 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) | 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::ZPolyhedron | [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] |
| 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] |
| 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 | ObjCryst::ZScatterer | [virtual] |
| GlobalOptRandomMove(const REAL mutationAmplitude, const RefParType *type=gpRefParTypeObjCryst) | ObjCryst::ZScatterer | [virtual] |
| ImportFenskeHallZMatrix(istream &is) | ObjCryst::ZScatterer | |
| InitRGBColour() | ObjCryst::Scatterer | [protected, virtual] |
| IsBeingRefined() const | ObjCryst::RefinableObj | |
| m3DDisplayIndex | ObjCryst::ZScatterer | [protected] |
| mClientObjRegistry | ObjCryst::RefinableObj | [mutable, protected] |
| mClockMaster | ObjCryst::RefinableObj | [protected] |
| mClockScattCompList | ObjCryst::Scatterer | [mutable, protected] |
| mClockScatterer | ObjCryst::Scatterer | [protected] |
| mColourName | ObjCryst::Scatterer | [protected] |
| mColourRGB | ObjCryst::Scatterer | [protected] |
| mDeleteRefParInDestructor | ObjCryst::RefinableObj | [protected] |
| mIsbeingRefined | ObjCryst::RefinableObj | [protected] |
| mLSQDeriv | ObjCryst::RefinableObj | [mutable, protected] |
| mName | ObjCryst::RefinableObj | [protected] |
| mNbAtom | ObjCryst::ZScatterer | [protected] |
| mNbRefParNotFixed | ObjCryst::RefinableObj | [mutable, protected] |
| mOccupancy | ObjCryst::Scatterer | [protected] |
| mOptionRegistry | ObjCryst::RefinableObj | [protected] |
| mpCryst | ObjCryst::Scatterer | [protected] |
| mPolyhedraType (defined in ObjCryst::ZPolyhedron) | ObjCryst::ZPolyhedron | [private] |
| mRandomMoveIsDone | ObjCryst::RefinableObj | [protected] |
| mRefParListClock | ObjCryst::RefinableObj | [protected] |
| mRefparNotFixedIndex | ObjCryst::RefinableObj | [mutable, protected] |
| mScattCompList | ObjCryst::ZScatterer | [mutable, protected] |
| mSubObjRegistry | ObjCryst::RefinableObj | [protected] |
| mvpRefPar | ObjCryst::RefinableObj | [protected] |
| mvpRestraint | ObjCryst::RefinableObj | [protected] |
| mvpSavedValuesSet | ObjCryst::RefinableObj | [mutable, protected] |
| mXYZ | ObjCryst::Scatterer | [protected] |
| operator string() const | ObjCryst::Scatterer | |
| operator=(const RefinableObj &old) | ObjCryst::RefinableObj | |
| POVRayDescription(ostream &os, const CrystalPOVRayOptions &options) const | ObjCryst::ZScatterer | [virtual] |
| Prepare() | ObjCryst::RefinableObj | [protected, virtual] |
| 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 | |
| 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] |
| ZPolyhedron(const RegularPolyhedraType type, Crystal &cryst, const REAL x, const REAL y, const REAL z, const string &name, const ScatteringPower *centralAtomPow, const ScatteringPower *periphAtomPow, const REAL centralPeriphDist, const REAL ligandPopu=1, const REAL phi=0., const REAL chi=0., const REAL psi=0.) | ObjCryst::ZPolyhedron | |
| ZPolyhedron(const ZPolyhedron &) | ObjCryst::ZPolyhedron | |
| 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 | |
