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) const | ObjCryst::Crystal | [private] |
CalcDynPopCorr(const REAL overlapDist=1., const REAL mergeDist=.0) const | ObjCryst::Crystal | |
CIFOutput(ostream &os) const | ObjCryst::Crystal | [virtual] |
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] |
FindScatterer(const string &scattName) const | ObjCryst::Crystal | [private] |
FixAllPar() | ObjCryst::RefinableObj | |
FractionalToOrthonormalCoords(REAL &x, REAL &y, REAL &z) const | ObjCryst::Crystal | |
GetBMatrix() const | ObjCryst::Crystal | |
GetBumpMergeCostFunction() const | ObjCryst::Crystal | |
GetClassName() const | ObjCryst::Crystal | [virtual] |
GetClockLatticePar() const | ObjCryst::Crystal | |
GetClockScattererList() const | ObjCryst::Crystal | |
GetCostFunctionDescription(const unsigned int) const | ObjCryst::Crystal | [virtual] |
GetCostFunctionName(const unsigned int) const | ObjCryst::Crystal | [virtual] |
GetCostFunctionValue(const unsigned int) | ObjCryst::Crystal | [virtual] |
GetGeneGroup(const RefinableObj &obj, CrystVector_uint &groupIndex, unsigned int &firstGroup) const | ObjCryst::Crystal | [virtual] |
GetLatticePar() const | ObjCryst::Crystal | |
GetLatticePar(const int whichPar) const | ObjCryst::Crystal | |
GetLSQCalc(const unsigned int) const | ObjCryst::RefinableObj | [virtual] |
GetLSQObs(const unsigned int) const | ObjCryst::RefinableObj | [virtual] |
GetLSQWeight(const unsigned int) const | ObjCryst::RefinableObj | [virtual] |
GetMinDistanceTable(const REAL minDistance=0.1) const | ObjCryst::Crystal | |
GetName() const | ObjCryst::RefinableObj | [virtual] |
GetNbCostFunction() const | ObjCryst::Crystal | [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 | |
GetOrthonormalCoords(const REAL x, const REAL y, const REAL z) const | ObjCryst::Crystal | |
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 long setId) const | ObjCryst::RefinableObj | |
GetParamSet(const long setId) | ObjCryst::RefinableObj | |
GetParamSet_ParNotFixedHumanValue(const long setId, const long parNumber) 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 | |
GetScatteringPowerRegistry() | ObjCryst::Crystal | |
GetScatteringPowerRegistry() const | ObjCryst::Crystal | |
GetSpaceGroup() const | ObjCryst::Crystal | |
GetSpaceGroup() | ObjCryst::Crystal | |
GetSubObjRegistry() | ObjCryst::RefinableObj | |
GetSubObjRegistry() const | ObjCryst::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) const | ObjCryst::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() const | ObjCryst::Crystal | [private] |
InitRandomSeedFromTime() const | ObjCryst::RefinableObj | [protected] |
InitRefParList() | ObjCryst::Crystal | [private] |
IsBeingRefined() const | ObjCryst::RefinableObj | |
mAllowMerge | ObjCryst::Crystal | [private] |
mBMatrix | ObjCryst::Crystal | [private] |
mBumpDistanceMatrix | ObjCryst::Crystal | [private] |
mCellDim | ObjCryst::Crystal | [private] |
mClientObjRegistry | ObjCryst::RefinableObj | [protected] |
mClockDynPopCorr | ObjCryst::Crystal | [private] |
mClockLatticePar | ObjCryst::Crystal | [private] |
mClockLatticeParUpdate | ObjCryst::Crystal | [private] |
mClockMetricMatrix | ObjCryst::Crystal | [private] |
mClockNeighborTable | ObjCryst::Crystal | [private] |
mClockScattCompList | ObjCryst::Crystal | [private] |
mClockScattererList | ObjCryst::Crystal | [private] |
mDeleteRefParInDestructor | ObjCryst::RefinableObj | [protected] |
mDistTableIndex | ObjCryst::Crystal | [private] |
mDistTableSq | ObjCryst::Crystal | [private] |
mIsbeingRefined | ObjCryst::RefinableObj | [protected] |
mLatticeClock | ObjCryst::Crystal | [private] |
mMaxNbRefPar | ObjCryst::RefinableObj | [protected] |
mMaxNbRestraint | ObjCryst::RefinableObj | [protected] |
mMaxNbSavedSets | ObjCryst::RefinableObj | [protected, static] |
mName | ObjCryst::RefinableObj | [protected] |
mNbRefPar | ObjCryst::RefinableObj | [protected] |
mNbRefParNotFixed | ObjCryst::RefinableObj | [protected] |
mNbRestraint | ObjCryst::RefinableObj | [protected] |
mOptionRegistry | ObjCryst::RefinableObj | [protected] |
mOrthMatrix | ObjCryst::Crystal | [private] |
mOrthMatrixInvert | ObjCryst::Crystal | [private] |
mpRefPar | ObjCryst::RefinableObj | [protected] |
mpRestraint | ObjCryst::RefinableObj | [protected] |
mpSavedValuesSet | ObjCryst::RefinableObj | [protected] |
mpSavedValuesSetName | ObjCryst::RefinableObj | [protected] |
mRandomMoveIsDone | ObjCryst::RefinableObj | [protected] |
mRefParListClock | ObjCryst::RefinableObj | [protected] |
mRefparNotFixedIndex | ObjCryst::RefinableObj | [protected] |
mSavedValuesSetIsUsed | ObjCryst::RefinableObj | [protected] |
mScattCompList | ObjCryst::Crystal | [private] |
mScattererRegistry | ObjCryst::Crystal | [private] |
mScatteringPowerRegistry | ObjCryst::Crystal | [private] |
mSpaceGroup | ObjCryst::Crystal | [private] |
mSubObjRegistry | ObjCryst::RefinableObj | [protected] |
mUseDynPopCorr | ObjCryst::Crystal | [private] |
operator=(const RefinableObj &old) | ObjCryst::RefinableObj | |
OrthonormalToFractionalCoords(REAL &x, REAL &y, REAL &z) const | ObjCryst::Crystal | |
POVRayDescription(ostream &os, bool onlyIndependentAtoms=false) const | ObjCryst::Crystal | |
Prepare() | ObjCryst::RefinableObj | [protected, virtual] |
PrepareForRefinement() const | ObjCryst::RefinableObj | |
Print(ostream &os=cout) const | ObjCryst::Crystal | |
Print() const (defined in ObjCryst::RefinableObj) | 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] |
RemoveScatterer(Scatterer *scatt) | ObjCryst::Crystal | |
RemoveScatteringPower(ScatteringPower *scattPow) | ObjCryst::Crystal | |
RemoveSubRefObj(RefinableObj &) | ObjCryst::RefinableObj | [protected] |
ResetDynPopCorr() const | ObjCryst::Crystal | |
ResetParList() | ObjCryst::RefinableObj | |
RestoreParamSet(const long id) | ObjCryst::RefinableObj | |
SaveParamSet(const 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 | |
UnFixAllPar() | ObjCryst::RefinableObj | |
UpdateDisplay() const | ObjCryst::RefinableObj | [virtual] |
UpdateLatticePar() | ObjCryst::Crystal | [private] |
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] |