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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)
[protected]
- AddPar(const RefinablePar &newRefPar) (defined in ObjCryst::RefinableObj)
- AddPar(const RefinableObj &newRefParList) (defined in ObjCryst::RefinableObj)
- AddScatterer(Scatterer *scatt)
- AddScatteringPower(ScatteringPower *scattPow)
- AddSubRefObj(RefinableObj &)
[protected]
- BeginOptimization()
[virtual]
- CalcDistTable(const bool fast, const double asymUnitMargin=4) const
[private]
- CalcDynPopCorr(const double overlapDist=1., const double mergeDist=.0) const
- CIFOutput(ostream &os) const
[virtual]
- CreateParamSet(const string name="") const
- Crystal()
- Crystal(const double a, const double b, const double c, const string &SpaceGroupId)
- Crystal(const double a, const double b, const double c, const double alpha, const double beta, const double gamma, const string &SpaceGroupId)
- Crystal(const Crystal &oldCryst)
- DeRegisterClient(RefinableObj &) const
[virtual]
- EndOptimization()
[virtual]
- EraseAllParamSet()
- FindPar(const string &name) const
[protected]
- FindPar(const double *) const
[protected]
- FindScatterer(const string &scattName) const
[private]
- FixAllPar()
- FractionalToOrthonormalCoords(double &x, double &y, double &z) const
- GetBMatrix() const
- GetBumpMergeCostFunction() const
- GetClassName() const
[virtual]
- GetClockLatticePar() const
- GetClockScattererList() const
- GetCostFunctionDescription(const unsigned int) const
[virtual]
- GetCostFunctionName(const unsigned int) const
[virtual]
- GetCostFunctionValue(const unsigned int)
[virtual]
- GetLatticePar() const
- GetLatticePar(const int whichPar) const
- GetMinDistanceTable(const double minDistance=0.1) const
- GetName() const
[virtual]
- GetNbCostFunction() const
[virtual]
- GetNbOption() const
- GetNbPar() const
- GetNbParNotFixed() const
- GetNbScatterer() const
- GetOption(const unsigned int i)
- GetOption(const unsigned int i) const
- GetOrthonormalCoords(const double x, const double y, const double z) const
- GetPar(const long i)
- GetPar(const long i) const
- GetPar(const string &name)
- GetPar(const string &name) const
- GetPar(const double *)
- GetPar(const double *) const
- GetParamSet(const long setId) const
- GetParamSet_ParNotFixedHumanValue(const long setId, const long parNumber) const
- GetParNotFixed(const long i)
- GetParNotFixed(const long i) const
- GetScatt(const string &scattName)
- GetScatt(const string &scattName) const
- GetScatt(const long scattIndex)
- GetScatt(const long scattIndex) const
- GetScattererRegistry()
- GetScatteringComponentList() const
[virtual]
- GetScatteringPower(const string &name)
- GetScatteringPowerRegistry()
- GetScatteringPowerRegistry() const
- GetSpaceGroup() const
- GetSpaceGroup()
- GetSubObjRegistry()
- GetSubObjRegistry() const
- GLInitDisplayList(const bool onlyIndependentAtoms=false, const double xMin=-.1, const double xMax=1.1, const double yMin=-.1, const double yMax=1.1, const double zMin=-.1, const double zMax=1.1) const
[virtual]
- GlobalOptRandomMove(const double mutationAmplitude)
[virtual]
- Init(const double a, const double b, const double c, const double alpha, const double beta, const double gamma, const string &SpaceGroupId, const string &name)
[private]
- InitMatrices() const
[private]
- InitRandomSeedFromTime() const
[protected]
- InitRefParList()
[private]
- IsBeingRefined() const
- mAllowMerge
[private]
- mBMatrix
[private]
- mBumpDistanceMatrix
[private]
- mCellDim
[private]
- mClientObjRegistry
[protected]
- mClockDynPopCorr
[private]
- mClockLatticePar
[private]
- mClockLatticeParUpdate
[private]
- mClockMetricMatrix
[private]
- mClockNeighborTable
[private]
- mClockScattCompList
[private]
- mClockScattererList
[private]
- mDistTableIndex
[private]
- mDistTableSq
[private]
- mIsbeingRefined
[protected]
- mLatticeClock
[private]
- mMaxNbRefPar
[protected]
- mMaxNbSavedSets
[protected, static]
- mName
[protected]
- mNbRefPar
[protected]
- mNbRefParNotFixed
[protected]
- mOptionRegistry
[protected]
- mOrthMatrix
[private]
- mOrthMatrixInvert
[private]
- mpRefPar
[protected]
- mpSavedValuesSet
[protected]
- mpSavedValuesSetName
[protected]
- mRefparNotFixedIndex
[protected]
- mSavedValuesSetIsUsed
[protected]
- mScattCompList
[private]
- mScattererRegistry
[private]
- mScatteringPowerRegistry
[private]
- mSpaceGroup
[private]
- mSubObjRegistry
[protected]
- mUseDynPopCorr
[private]
- operator=(const RefinableObj &old)
- OrthonormalToFractionalCoords(double &x, double &y, double &z) const
- POVRayDescription(ostream &os, bool onlyIndependentAtoms=false) const
- Prepare()
[protected, virtual]
- PrepareForRefinement() const
- Print(ostream &os=cout) const
- Print() const (defined in ObjCryst::RefinableObj)
[virtual]
- PrintMinDistanceTable(const double minDistance=0.1, ostream &os=cout) const
- RandomizeConfiguration()
[virtual]
- RefinableObj()
- RefinableObj(const RefinableObj &old)
- RegisterClient(RefinableObj &) const
[virtual]
- RemoveScatterer(Scatterer *scatt)
- RemoveScatteringPower(ScatteringPower *scattPow)
- RemoveSubRefObj(RefinableObj &)
[protected]
- ResetDynPopCorr() const
- ResetParList()
- RestoreParamSet(const long id)
- SaveParamSet(const long id) const
- SetBumpMergeDistance(const ScatteringPower &scatt1, const ScatteringPower &scatt2, const double dist=1.5)
- SetBumpMergeDistance(const ScatteringPower &scatt1, const ScatteringPower &scatt2, const double dist, const bool allowMerge)
- SetLimitsAbsolute(const string &parName, const double min, const double max)
- SetLimitsAbsolute(const RefParType *type, const double min, const double max)
- SetLimitsProportional(const string &parName, const double min, const double max)
- SetLimitsProportional(const RefParType *type, const double min, const double max)
- SetLimitsRelative(const string &parName, const double min, const double max)
- SetLimitsRelative(const RefParType *type, const double min, const double max)
- SetName(const string &name)
[virtual]
- SetParIsFixed(const long parIndex, const bool fix)
- SetParIsFixed(const string &parName, const bool fix)
- SetParIsFixed(const RefParType *type, const bool fix)
- SetParIsUsed(const string &parName, const bool use)
- SetParIsUsed(const RefParType *type, const bool use)
- SetUseDynPopCorr(const int use)
- UnFixAllPar()
- UpdateDisplay() const
[virtual]
- UpdateLatticePar()
[private]
- XMLInput(istream &is, const XMLCrystTag &tag)
[virtual]
- XMLOutput(ostream &os, int indent=0) const
[virtual]
- ~Crystal()
- ~RefinableObj()
[virtual]
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