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ObjCryst::Crystal Member List

This is the complete list of members for ObjCryst::Crystal, including all inherited members.
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]
CalcDistTable(const bool fast, const REAL asymUnitMargin=4) constObjCryst::Crystal [private]
CalcDynPopCorr(const REAL overlapDist=1., const REAL mergeDist=.0) constObjCryst::Crystal
CIFOutput(ostream &os) constObjCryst::Crystal [virtual]
CreateParamSet(const string name="") constObjCryst::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 &) constObjCryst::RefinableObj [virtual]
EndOptimization()ObjCryst::RefinableObj [virtual]
EraseAllParamSet()ObjCryst::RefinableObj
FindPar(const string &name) constObjCryst::RefinableObj [protected]
FindPar(const REAL *) constObjCryst::RefinableObj [protected]
FindScatterer(const string &scattName) constObjCryst::Crystal [private]
FixAllPar()ObjCryst::RefinableObj
FractionalToOrthonormalCoords(REAL &x, REAL &y, REAL &z) constObjCryst::Crystal
GetBMatrix() constObjCryst::Crystal
GetBumpMergeCostFunction() constObjCryst::Crystal
GetClassName() constObjCryst::Crystal [virtual]
GetClockLatticePar() constObjCryst::Crystal
GetClockScattererList() constObjCryst::Crystal
GetCostFunctionDescription(const unsigned int) constObjCryst::Crystal [virtual]
GetCostFunctionName(const unsigned int) constObjCryst::Crystal [virtual]
GetCostFunctionValue(const unsigned int)ObjCryst::Crystal [virtual]
GetGeneGroup(const RefinableObj &obj, CrystVector_uint &groupIndex, unsigned int &firstGroup) constObjCryst::Crystal [virtual]
GetLatticePar() constObjCryst::Crystal
GetLatticePar(const int whichPar) constObjCryst::Crystal
GetLSQCalc(const unsigned int) constObjCryst::RefinableObj [virtual]
GetLSQObs(const unsigned int) constObjCryst::RefinableObj [virtual]
GetLSQWeight(const unsigned int) constObjCryst::RefinableObj [virtual]
GetMinDistanceTable(const REAL minDistance=0.1) constObjCryst::Crystal
GetName() constObjCryst::RefinableObj [virtual]
GetNbCostFunction() constObjCryst::Crystal [virtual]
GetNbLSQFunction() constObjCryst::RefinableObj [virtual]
GetNbOption() constObjCryst::RefinableObj
GetNbPar() constObjCryst::RefinableObj
GetNbParNotFixed() constObjCryst::RefinableObj
GetNbScatterer() constObjCryst::Crystal
GetOption(const unsigned int i)ObjCryst::RefinableObj
GetOption(const unsigned int i) constObjCryst::RefinableObj
GetOrthonormalCoords(const REAL x, const REAL y, const REAL z) constObjCryst::Crystal
GetPar(const long i)ObjCryst::RefinableObj
GetPar(const long i) constObjCryst::RefinableObj
GetPar(const string &name)ObjCryst::RefinableObj
GetPar(const string &name) constObjCryst::RefinableObj
GetPar(const REAL *)ObjCryst::RefinableObj
GetPar(const REAL *) constObjCryst::RefinableObj
GetParamSet(const long setId) constObjCryst::RefinableObj
GetParamSet(const long setId)ObjCryst::RefinableObj
GetParamSet_ParNotFixedHumanValue(const long setId, const long parNumber) constObjCryst::RefinableObj
GetParNotFixed(const long i)ObjCryst::RefinableObj
GetParNotFixed(const long i) constObjCryst::RefinableObj
GetRefParListClock() constObjCryst::RefinableObj
GetRestraintCost() constObjCryst::RefinableObj [virtual]
GetScatt(const string &scattName)ObjCryst::Crystal
GetScatt(const string &scattName) constObjCryst::Crystal
GetScatt(const long scattIndex)ObjCryst::Crystal
GetScatt(const long scattIndex) constObjCryst::Crystal
GetScattererRegistry()ObjCryst::Crystal
GetScatteringComponentList() constObjCryst::Crystal [virtual]
GetScatteringPower(const string &name)ObjCryst::Crystal
GetScatteringPowerRegistry()ObjCryst::Crystal
GetScatteringPowerRegistry() constObjCryst::Crystal
GetSpaceGroup() constObjCryst::Crystal
GetSpaceGroup()ObjCryst::Crystal
GetSubObjRegistry()ObjCryst::RefinableObj
GetSubObjRegistry() constObjCryst::RefinableObj
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) constObjCryst::Crystal [virtual]
GlobalOptRandomMove(const REAL mutationAmplitude)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]
InitMatrices() constObjCryst::Crystal [private]
InitRandomSeedFromTime() constObjCryst::RefinableObj [protected]
InitRefParList()ObjCryst::Crystal [private]
IsBeingRefined() constObjCryst::RefinableObj
mAllowMergeObjCryst::Crystal [private]
mBMatrixObjCryst::Crystal [private]
mBumpDistanceMatrixObjCryst::Crystal [private]
mCellDimObjCryst::Crystal [private]
mClientObjRegistryObjCryst::RefinableObj [protected]
mClockDynPopCorrObjCryst::Crystal [private]
mClockLatticeParObjCryst::Crystal [private]
mClockLatticeParUpdateObjCryst::Crystal [private]
mClockMetricMatrixObjCryst::Crystal [private]
mClockNeighborTableObjCryst::Crystal [private]
mClockScattCompListObjCryst::Crystal [private]
mClockScattererListObjCryst::Crystal [private]
mDeleteRefParInDestructorObjCryst::RefinableObj [protected]
mDistTableIndexObjCryst::Crystal [private]
mDistTableSqObjCryst::Crystal [private]
mIsbeingRefinedObjCryst::RefinableObj [protected]
mLatticeClockObjCryst::Crystal [private]
mMaxNbRefParObjCryst::RefinableObj [protected]
mMaxNbRestraintObjCryst::RefinableObj [protected]
mMaxNbSavedSetsObjCryst::RefinableObj [protected, static]
mNameObjCryst::RefinableObj [protected]
mNbRefParObjCryst::RefinableObj [protected]
mNbRefParNotFixedObjCryst::RefinableObj [protected]
mNbRestraintObjCryst::RefinableObj [protected]
mOptionRegistryObjCryst::RefinableObj [protected]
mOrthMatrixObjCryst::Crystal [private]
mOrthMatrixInvertObjCryst::Crystal [private]
mpRefParObjCryst::RefinableObj [protected]
mpRestraintObjCryst::RefinableObj [protected]
mpSavedValuesSetObjCryst::RefinableObj [protected]
mpSavedValuesSetNameObjCryst::RefinableObj [protected]
mRandomMoveIsDoneObjCryst::RefinableObj [protected]
mRefParListClockObjCryst::RefinableObj [protected]
mRefparNotFixedIndexObjCryst::RefinableObj [protected]
mSavedValuesSetIsUsedObjCryst::RefinableObj [protected]
mScattCompListObjCryst::Crystal [private]
mScattererRegistryObjCryst::Crystal [private]
mScatteringPowerRegistryObjCryst::Crystal [private]
mSpaceGroupObjCryst::Crystal [private]
mSubObjRegistryObjCryst::RefinableObj [protected]
mUseDynPopCorrObjCryst::Crystal [private]
operator=(const RefinableObj &old)ObjCryst::RefinableObj
OrthonormalToFractionalCoords(REAL &x, REAL &y, REAL &z) constObjCryst::Crystal
POVRayDescription(ostream &os, bool onlyIndependentAtoms=false) constObjCryst::Crystal
Prepare()ObjCryst::RefinableObj [protected, virtual]
PrepareForRefinement() constObjCryst::RefinableObj
Print(ostream &os=cout) constObjCryst::Crystal
Print() const (defined in ObjCryst::RefinableObj)ObjCryst::RefinableObj [virtual]
PrintMinDistanceTable(const REAL minDistance=0.1, ostream &os=cout) constObjCryst::Crystal
RandomizeConfiguration()ObjCryst::RefinableObj [virtual]
RefinableObj()ObjCryst::RefinableObj
RefinableObj(const bool internalUseOnly)ObjCryst::RefinableObj
RefinableObj(const RefinableObj &old)ObjCryst::RefinableObj
RegisterClient(RefinableObj &) constObjCryst::RefinableObj [virtual]
RemoveScatterer(Scatterer *scatt)ObjCryst::Crystal
RemoveScatteringPower(ScatteringPower *scattPow)ObjCryst::Crystal
RemoveSubRefObj(RefinableObj &)ObjCryst::RefinableObj [protected]
ResetDynPopCorr() constObjCryst::Crystal
ResetParList()ObjCryst::RefinableObj
RestoreParamSet(const long id)ObjCryst::RefinableObj
SaveParamSet(const long id) constObjCryst::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
UnFixAllPar()ObjCryst::RefinableObj
UpdateDisplay() constObjCryst::RefinableObj [virtual]
UpdateLatticePar()ObjCryst::Crystal [private]
XMLInput(istream &is, const XMLCrystTag &tag)ObjCryst::Crystal [virtual]
XMLOutput(ostream &os, int indent=0) constObjCryst::Crystal [virtual]
~Crystal()ObjCryst::Crystal
~RefinableObj()ObjCryst::RefinableObj [virtual]

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