| AddBondValenceRo(const ScatteringPower &, const ScatteringPower &, const REAL ro) | ObjCryst::Crystal | |
| 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 | |
| AddScatterer(Scatterer *scatt) | ObjCryst::Crystal | |
| AddScatteringPower(ScatteringPower *scattPow) | ObjCryst::Crystal | |
| AddSubRefObj(RefinableObj &) | ObjCryst::RefinableObj | [protected] |
| BeginGlobalOptRandomMove() | ObjCryst::RefinableObj | |
| BeginOptimization(const bool allowApproximations=false, const bool enableRestraints=false) | ObjCryst::Crystal | [virtual] |
| CalcBondValenceSum() const | ObjCryst::Crystal | [private] |
| CalcDistTable(const bool fast, const REAL asymUnitMargin=4) const | ObjCryst::Crystal | [private] |
| CalcDynPopCorr(const REAL overlapDist=1., const REAL mergeDist=.0) const | ObjCryst::Crystal | |
| CIFOutput(ostream &os) const | ObjCryst::Crystal | [virtual] |
| ClearParamSet(const unsigned long id) const | ObjCryst::RefinableObj | |
| CreateParamSet(const string name="") const | ObjCryst::RefinableObj | |
| Crystal() | ObjCryst::Crystal | |
| Crystal(const REAL a, const REAL b, const REAL c, const string &SpaceGroupId) | ObjCryst::Crystal | |
| Crystal(const REAL a, const REAL b, const REAL c, const REAL alpha, const REAL beta, const REAL gamma, const string &SpaceGroupId) | ObjCryst::Crystal | |
| Crystal(const Crystal &oldCryst) | ObjCryst::Crystal | |
| 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] |
| FindScatterer(const string &scattName) const | ObjCryst::Crystal | [private] |
| FixAllPar() | ObjCryst::RefinableObj | |
| FractionalToOrthonormalCoords(REAL &x, REAL &y, REAL &z) const | ObjCryst::UnitCell | |
| GetBMatrix() const | ObjCryst::UnitCell | |
| GetBondValenceCost() const | ObjCryst::Crystal | |
| GetBondValenceRoList() | ObjCryst::Crystal | |
| GetBondValenceRoList() const | ObjCryst::Crystal | |
| GetBumpMergeCost() const | ObjCryst::Crystal | |
| GetBumpMergeParList() const | ObjCryst::Crystal | |
| GetBumpMergeParList() | ObjCryst::Crystal | |
| GetClassName() const | ObjCryst::Crystal | [virtual] |
| GetClockLatticePar() const | ObjCryst::UnitCell | |
| GetClockMaster() const | ObjCryst::RefinableObj | |
| GetClockMetricMatrix() const | ObjCryst::UnitCell | |
| GetClockScattCompList() const | ObjCryst::Crystal | |
| GetClockScattererList() const | ObjCryst::Crystal | |
| GetGeneGroup(const RefinableObj &obj, CrystVector_uint &groupIndex, unsigned int &firstGroup) const | ObjCryst::Crystal | [virtual] |
| GetLatticePar() const | ObjCryst::UnitCell | |
| GetLatticePar(const int whichPar) const | ObjCryst::UnitCell | |
| GetLogLikelihood() const | ObjCryst::Crystal | [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] |
| GetMasterClockScatteringPower() const | ObjCryst::Crystal | |
| GetMinDistanceTable(const REAL minDistance=0.1) const | ObjCryst::Crystal | |
| GetName() const | ObjCryst::RefinableObj | [virtual] |
| GetNbLSQFunction() const | ObjCryst::RefinableObj | [virtual] |
| GetNbOption() const | ObjCryst::RefinableObj | |
| GetNbPar() const | ObjCryst::RefinableObj | |
| GetNbParNotFixed() const | ObjCryst::RefinableObj | |
| GetNbScatterer() const | ObjCryst::Crystal | |
| 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] |
| GetScatt(const string &scattName) | ObjCryst::Crystal | |
| GetScatt(const string &scattName) const | ObjCryst::Crystal | |
| GetScatt(const long scattIndex) | ObjCryst::Crystal | |
| GetScatt(const long scattIndex) const | ObjCryst::Crystal | |
| GetScattererRegistry() | ObjCryst::Crystal | |
| GetScatteringComponentList() const | ObjCryst::Crystal | [virtual] |
| GetScatteringPower(const string &name) | ObjCryst::Crystal | |
| GetScatteringPower(const string &name) const | ObjCryst::Crystal | |
| GetScatteringPowerRegistry() | ObjCryst::Crystal | |
| GetScatteringPowerRegistry() const | ObjCryst::Crystal | |
| GetSpaceGroup() const | ObjCryst::UnitCell | |
| GetSpaceGroup() | ObjCryst::UnitCell | |
| GetSubObjRegistry() | ObjCryst::RefinableObj | |
| GetSubObjRegistry() const | ObjCryst::RefinableObj | |
| GetVolume() const | ObjCryst::UnitCell | |
| 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 displayNames=false) const | ObjCryst::Crystal | [virtual] |
| GlobalOptRandomMove(const REAL mutationAmplitude, const RefParType *type=gpRefParTypeObjCryst) | ObjCryst::Crystal | [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::Crystal | [private, virtual] |
| InitOptions() | ObjCryst::Crystal | [private, virtual] |
| InitRefParList() | ObjCryst::UnitCell | [protected] |
| IsBeingRefined() const | ObjCryst::RefinableObj | |
| mBondValenceCalcClock | ObjCryst::Crystal | [mutable, private] |
| mBondValenceCost | ObjCryst::Crystal | [mutable, private] |
| mBondValenceCostClock | ObjCryst::Crystal | [mutable, private] |
| mBondValenceCostScale | ObjCryst::Crystal | [private] |
| mBondValenceParClock | ObjCryst::Crystal | [private] |
| mBumpMergeCost | ObjCryst::Crystal | [mutable, private] |
| mBumpMergeCostClock | ObjCryst::Crystal | [mutable, private] |
| mBumpMergeParClock | ObjCryst::Crystal | [private] |
| mBumpMergeScale | ObjCryst::Crystal | [private] |
| mClientObjRegistry | ObjCryst::RefinableObj | [mutable, protected] |
| mClockDynPopCorr | ObjCryst::Crystal | [mutable, private] |
| mClockMaster | ObjCryst::RefinableObj | [protected] |
| mClockNeighborTable | ObjCryst::Crystal | [mutable, private] |
| mClockScattCompList | ObjCryst::Crystal | [mutable, private] |
| mClockScattererList | ObjCryst::Crystal | [private] |
| mDeleteRefParInDestructor | ObjCryst::RefinableObj | [protected] |
| mDisplayEnantiomer | ObjCryst::Crystal | [private] |
| mDistTableClock | ObjCryst::Crystal | [mutable, private] |
| MillerToOrthonormalCoords(REAL &x, REAL &y, REAL &z) const | ObjCryst::UnitCell | |
| mIsbeingRefined | ObjCryst::RefinableObj | [protected] |
| mLatticeClock | ObjCryst::Crystal | [private] |
| mLSQDeriv | ObjCryst::RefinableObj | [mutable, protected] |
| mMasterClockScatteringPower | ObjCryst::Crystal | [private] |
| mName | ObjCryst::RefinableObj | [protected] |
| mNbRefParNotFixed | ObjCryst::RefinableObj | [mutable, protected] |
| mOptionRegistry | ObjCryst::RefinableObj | [protected] |
| mRandomMoveIsDone | ObjCryst::RefinableObj | [protected] |
| mRefParListClock | ObjCryst::RefinableObj | [protected] |
| mRefparNotFixedIndex | ObjCryst::RefinableObj | [mutable, protected] |
| mScattCompList | ObjCryst::Crystal | [mutable, private] |
| mScattererRegistry | ObjCryst::Crystal | [private] |
| mScatteringPowerRegistry | ObjCryst::Crystal | [private] |
| mSubObjRegistry | ObjCryst::RefinableObj | [protected] |
| mUseDynPopCorr | ObjCryst::Crystal | [private] |
| mvBondValenceCalc | ObjCryst::Crystal | [mutable, private] |
| mvBondValenceRo | ObjCryst::Crystal | [private] |
| mvBumpMergePar | ObjCryst::Crystal | [private] |
| mvDistTableSq | ObjCryst::Crystal | [mutable, private] |
| 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 | |
| POVRayDescription(ostream &os, const CrystalPOVRayOptions &options) const | ObjCryst::Crystal | |
| Prepare() | ObjCryst::RefinableObj | [protected, virtual] |
| PrepareForRefinement() const | ObjCryst::RefinableObj | |
| Print(ostream &os=cout) const | ObjCryst::Crystal | [virtual] |
| ObjCryst::RefinableObj::Print() const | ObjCryst::RefinableObj | [virtual] |
| PrintMinDistanceTable(const REAL minDistance=0.1, ostream &os=cout) const | ObjCryst::Crystal | |
| 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] |
| RemoveBondValenceRo(const ScatteringPower &, const ScatteringPower &) | ObjCryst::Crystal | |
| RemoveBumpMergeDistance(const ScatteringPower &scatt1, const ScatteringPower &scatt2) | ObjCryst::Crystal | |
| RemovePar(RefinablePar *refPar) | ObjCryst::RefinableObj | |
| RemoveRestraint(Restraint *pRestraint) | ObjCryst::RefinableObj | |
| RemoveScatterer(Scatterer *scatt) | ObjCryst::Crystal | |
| RemoveScatteringPower(ScatteringPower *scattPow) | ObjCryst::Crystal | |
| RemoveSubRefObj(RefinableObj &) | ObjCryst::RefinableObj | [protected] |
| ResetDynPopCorr() const | ObjCryst::Crystal | |
| ResetParList() | ObjCryst::RefinableObj | |
| RestoreParamSet(const unsigned long id) | ObjCryst::RefinableObj | |
| SaveParamSet(const unsigned long id) const | ObjCryst::RefinableObj | |
| SetBumpMergeDistance(const ScatteringPower &scatt1, const ScatteringPower &scatt2, const REAL dist=1.5) | ObjCryst::Crystal | |
| SetBumpMergeDistance(const ScatteringPower &scatt1, const ScatteringPower &scatt2, const REAL dist, const bool allowMerge) | ObjCryst::Crystal | |
| 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 | |
| SetUseDynPopCorr(const int use) | ObjCryst::Crystal | |
| 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] |
| VBumpMergePar typedef | ObjCryst::Crystal | |
| XMLInput(istream &is, const XMLCrystTag &tag) | ObjCryst::Crystal | [virtual] |
| XMLOutput(ostream &os, int indent=0) const | ObjCryst::Crystal | [virtual] |
| ~Crystal() | ObjCryst::Crystal | |
| ~RefinableObj() | ObjCryst::RefinableObj | [virtual] |
| ~UnitCell() | ObjCryst::UnitCell | |
