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 | |
FractionalToOrthonormalCoords(REAL &x, REAL &y, REAL &z) const | ObjCryst::UnitCell | |
GetBMatrix() const | ObjCryst::UnitCell | |
GetClassName() const | ObjCryst::UnitCell | [virtual] |
GetClockLatticePar() const | ObjCryst::UnitCell | |
GetClockMaster() const | ObjCryst::RefinableObj | |
GetClockMetricMatrix() const | ObjCryst::UnitCell | |
GetGeneGroup(const RefinableObj &obj, CrystVector_uint &groupIndex, unsigned int &firstGroup) const | ObjCryst::RefinableObj | [virtual] |
GetLatticePar() const | ObjCryst::UnitCell | |
GetLatticePar(const int whichPar) const | ObjCryst::UnitCell | |
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] |
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 | |
GetOrthMatrix() const | ObjCryst::UnitCell | |
GetOrthonormalCoords(const REAL x, const REAL y, const REAL z) const | ObjCryst::UnitCell | |
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 | |
GetRefParListClock() const | ObjCryst::RefinableObj | |
GetRestraintCost() const | ObjCryst::RefinableObj | [virtual] |
GetSpaceGroup() const | ObjCryst::UnitCell | |
GetSpaceGroup() | ObjCryst::UnitCell | |
GetSubObjRegistry() | ObjCryst::RefinableObj | |
GetSubObjRegistry() const | ObjCryst::RefinableObj | |
GetVolume() const | ObjCryst::UnitCell | |
GlobalOptRandomMove(const REAL mutationAmplitude, const RefParType *type=gpRefParTypeObjCryst) | ObjCryst::RefinableObj | [virtual] |
Init(const REAL a, const REAL b, const REAL c, const REAL alpha, const REAL beta, const REAL gamma, const string &SpaceGroupId, const string &name) | ObjCryst::UnitCell | [protected, virtual] |
InitMatrices() const | ObjCryst::UnitCell | [private] |
InitOptions() | ObjCryst::UnitCell | [private, virtual] |
InitRefParList() | ObjCryst::UnitCell | [protected] |
IsBeingRefined() const | ObjCryst::RefinableObj | |
mBMatrix | ObjCryst::UnitCell | [mutable, private] |
mBMatrixInvert | ObjCryst::UnitCell | [mutable, private] |
mCellDim | ObjCryst::UnitCell | [private] |
mClientObjRegistry | ObjCryst::RefinableObj | [mutable, protected] |
mClockLatticePar | ObjCryst::UnitCell | [private] |
mClockLatticeParUpdate | ObjCryst::UnitCell | [mutable, private] |
mClockMaster | ObjCryst::RefinableObj | [protected] |
mClockMetricMatrix | ObjCryst::UnitCell | [mutable, private] |
mConstrainLatticeToSpaceGroup | ObjCryst::UnitCell | [private] |
mDeleteRefParInDestructor | ObjCryst::RefinableObj | [protected] |
MillerToOrthonormalCoords(REAL &x, REAL &y, REAL &z) const | ObjCryst::UnitCell | |
mIsbeingRefined | ObjCryst::RefinableObj | [protected] |
mLSQDeriv | ObjCryst::RefinableObj | [mutable, protected] |
mName | ObjCryst::RefinableObj | [protected] |
mNbRefParNotFixed | ObjCryst::RefinableObj | [mutable, protected] |
mOptionRegistry | ObjCryst::RefinableObj | [protected] |
mOrthMatrix | ObjCryst::UnitCell | [mutable, private] |
mOrthMatrixInvert | ObjCryst::UnitCell | [mutable, private] |
mRandomMoveIsDone | ObjCryst::RefinableObj | [protected] |
mRefParListClock | ObjCryst::RefinableObj | [protected] |
mRefparNotFixedIndex | ObjCryst::RefinableObj | [mutable, protected] |
mSpaceGroup | ObjCryst::UnitCell | [private] |
mSubObjRegistry | ObjCryst::RefinableObj | [protected] |
mvpRefPar | ObjCryst::RefinableObj | [protected] |
mvpRestraint | ObjCryst::RefinableObj | [protected] |
mvpSavedValuesSet | ObjCryst::RefinableObj | [mutable, protected] |
operator=(const RefinableObj &old) | ObjCryst::RefinableObj | |
OrthonormalToFractionalCoords(REAL &x, REAL &y, REAL &z) const | ObjCryst::UnitCell | |
OrthonormalToMillerCoords(REAL &x, REAL &y, REAL &z) const | ObjCryst::UnitCell | |
Prepare() | ObjCryst::RefinableObj | [protected, virtual] |
PrepareForRefinement() const | ObjCryst::RefinableObj | |
Print(ostream &os=cout) const | ObjCryst::UnitCell | [virtual] |
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 | |
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 | |
TagNewBestConfig() const | ObjCryst::RefinableObj | [virtual] |
UnFixAllPar() | ObjCryst::RefinableObj | |
UnitCell() | ObjCryst::UnitCell | |
UnitCell(const REAL a, const REAL b, const REAL c, const string &SpaceGroupId) | ObjCryst::UnitCell | |
UnitCell(const REAL a, const REAL b, const REAL c, const REAL alpha, const REAL beta, const REAL gamma, const string &SpaceGroupId) | ObjCryst::UnitCell | |
UnitCell(const UnitCell &oldCryst) | ObjCryst::UnitCell | |
UpdateDisplay() const | ObjCryst::RefinableObj | [virtual] |
UpdateLatticePar() | ObjCryst::UnitCell | [private] |
XMLInput(istream &is, const XMLCrystTag &tag) | ObjCryst::RefinableObj | [virtual] |
XMLOutput(ostream &os, int indent=0) const | ObjCryst::RefinableObj | [virtual] |
~RefinableObj() | ObjCryst::RefinableObj | [virtual] |
~UnitCell() | ObjCryst::UnitCell | |