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ObjCryst::Crystal Member List

This is the complete list of members for ObjCryst::Crystal, including all inherited members.
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
mBondValenceCalcClockObjCryst::Crystal [mutable, private]
mBondValenceCostObjCryst::Crystal [mutable, private]
mBondValenceCostClockObjCryst::Crystal [mutable, private]
mBondValenceCostScaleObjCryst::Crystal [private]
mBondValenceParClockObjCryst::Crystal [private]
mBumpMergeCostObjCryst::Crystal [mutable, private]
mBumpMergeCostClockObjCryst::Crystal [mutable, private]
mBumpMergeParClockObjCryst::Crystal [private]
mBumpMergeScaleObjCryst::Crystal [private]
mClientObjRegistryObjCryst::RefinableObj [mutable, protected]
mClockDynPopCorrObjCryst::Crystal [mutable, private]
mClockMasterObjCryst::RefinableObj [protected]
mClockNeighborTableObjCryst::Crystal [mutable, private]
mClockScattCompListObjCryst::Crystal [mutable, private]
mClockScattererListObjCryst::Crystal [private]
mDeleteRefParInDestructorObjCryst::RefinableObj [protected]
mDisplayEnantiomerObjCryst::Crystal [private]
mDistTableClockObjCryst::Crystal [mutable, private]
MillerToOrthonormalCoords(REAL &x, REAL &y, REAL &z) const ObjCryst::UnitCell
mIsbeingRefinedObjCryst::RefinableObj [protected]
mLatticeClockObjCryst::Crystal [private]
mLSQDerivObjCryst::RefinableObj [mutable, protected]
mMasterClockScatteringPowerObjCryst::Crystal [private]
mNameObjCryst::RefinableObj [protected]
mNbRefParNotFixedObjCryst::RefinableObj [mutable, protected]
mOptionRegistryObjCryst::RefinableObj [protected]
mRandomMoveIsDoneObjCryst::RefinableObj [protected]
mRefParListClockObjCryst::RefinableObj [protected]
mRefparNotFixedIndexObjCryst::RefinableObj [mutable, protected]
mScattCompListObjCryst::Crystal [mutable, private]
mScattererRegistryObjCryst::Crystal [private]
mScatteringPowerRegistryObjCryst::Crystal [private]
mSubObjRegistryObjCryst::RefinableObj [protected]
mUseDynPopCorrObjCryst::Crystal [private]
mvBondValenceCalcObjCryst::Crystal [mutable, private]
mvBondValenceRoObjCryst::Crystal [private]
mvBumpMergeParObjCryst::Crystal [private]
mvDistTableSqObjCryst::Crystal [mutable, private]
mvpRefParObjCryst::RefinableObj [protected]
mvpRestraintObjCryst::RefinableObj [protected]
mvpSavedValuesSetObjCryst::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 typedefObjCryst::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

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