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ObjCryst::DiffractionDataSingleCrystal Member List
This is the complete list of members for ObjCryst::DiffractionDataSingleCrystal, including all inherited members.
- AddOption(RefObjOpt *opt)
[protected]
- AddPar(const RefinablePar &newRefPar) (defined in ObjCryst::RefinableObj)
- AddPar(const RefinableObj &newRefParList) (defined in ObjCryst::RefinableObj)
- AddSubRefObj(RefinableObj &)
[protected]
- BeginOptimization()
[virtual]
- CalcGeomStructFactor(const ScatteringComponentList &scattCompList, const SpaceGroup &spg, const CrystVector_long &structFactorIndex, CrystVector_double *rsf2, CrystVector_double *isf2, bool useFastTabulatedTrigFunctions=false) const
[protected]
- CalcIcalc() const
[private]
- CalcResonantScattFactor() const
[protected, virtual]
- CalcScattFactor() const
[protected]
- CalcSinThetaLambda() const
[protected, virtual]
- CalcStructFactor() const
[protected]
- CalcTemperatureFactor() const
[protected]
- CreateCopy() const
[virtual]
- CreateParamSet(const string name="") const
- DeRegisterClient(RefinableObj &) const
[virtual]
- DiffractionDataSingleCrystal() (defined in ObjCryst::DiffractionDataSingleCrystal)
- EliminateExtinctReflections()
[protected]
- EndOptimization()
[virtual]
- EraseAllParamSet()
- FindPar(const string &name) const
[protected]
- FindPar(const double *) const
[protected]
- FitScaleFactorForR()
[virtual]
- FitScaleFactorForRw()
[virtual]
- FixAllPar()
- GenHKLFullSpace(const double maxTheta, const bool useMultiplicity=false)
[virtual]
- GetBestRFactor()
[virtual]
- GetChi2() const
[virtual]
- GetClassName() const
[virtual]
- GetCostFunctionDescription(const unsigned int) const
[virtual]
- GetCostFunctionName(const unsigned int) const
[virtual]
- GetCostFunctionValue(const unsigned int)
[virtual]
- GetCrystal() const
- GetCrystal()
- GetFhklCalcImag() const
- GetFhklCalcReal() const
- GetFhklCalcSq() const
- GetH() const
- GetH2Pi() const
- GetIcalc() const
- GetIobs() const
- GetK() const
- GetK2Pi() const
- GetL() const
- GetL2Pi() const
- GetName() const
[virtual]
- GetNbCostFunction() const
[virtual]
- GetNbOption() const
- GetNbPar() const
- GetNbParNotFixed() const
- GetNbRefl() const
- GetOption(const unsigned int i)
- GetOption(const unsigned int i) 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
- GetR() const
[virtual]
- GetRadiationType() const
- GetRw() const
[virtual]
- GetScaleFactor() const
- GetSigma() const
- GetSinThetaOverLambda() const
- GetSubObjRegistry()
- GetSubObjRegistry() const
- GetWavelength() const
- GetWeight() const
- GlobalOptRandomMove(const double mutationAmplitude)
[virtual]
- ImportHklIobs(const string &fileName, const long nbRefl, const int skipLines=0)
- ImportHklIobsSigma(const string &fileName, const long nbRefl, const int skipLines=0)
- ImportHklIobsSigmaJanaM91(const string &fileName)
- InitRandomSeedFromTime() const
[protected]
- InitRefParList() (defined in ObjCryst::DiffractionDataSingleCrystal)
[private, virtual]
- IsBeingRefined() const
- IsIgnoringImagScattFact() const
- mAnomalousNeedRecalc (defined in ObjCryst::ScatteringData)
[protected]
- mCalcIntensity
[private]
- mClientObjRegistry
[protected]
- mClockGeomStructFact
[protected]
- mClockHKL
[protected]
- mClockScattFactor
[protected]
- mClockScattFactorResonant
[protected]
- mClockStructFactor
[protected]
- mClockStructFactorSq
[protected]
- mClockThermicFact
[protected]
- mClockTheta
[protected]
- mFhklCalcImag
[protected]
- mFhklCalcNeedRecalc (defined in ObjCryst::ScatteringData)
[protected]
- mFhklCalcReal
[protected]
- mFhklCalcSq
[protected]
- mFprime
[protected]
- mFsecond
[protected]
- mGeomFhklCalcNeedRecalc (defined in ObjCryst::ScatteringData)
[protected]
- mH
[protected]
- mH2Pi
[protected]
- mHasObservedData
[private]
- mIgnoreImagScattFact
[protected]
- mIntH
[protected]
- mIntK
[protected]
- mIntL
[protected]
- mIsbeingRefined
[protected]
- mK
[protected]
- mK2Pi
[protected]
- mL
[protected]
- mL2Pi
[protected]
- mLastScattCompList (defined in ObjCryst::ScatteringData)
[protected]
- mMaxNbRefPar
[protected]
- mMaxNbSavedSets
[protected, static]
- mMultiplicity
[protected]
- mName
[protected]
- mNbRefl
[protected]
- mNbRefPar
[protected]
- mNbRefParNotFixed
[protected]
- mNbScatteringPower
[protected]
- mObsIntensity
[private]
- mObsSigma
[private]
- mOptionRegistry
[protected]
- mpCrystal
[protected]
- mpImagGeomSF
[protected]
- mpRealGeomSF
[protected]
- mpRefPar
[protected]
- mpSavedValuesSet
[protected]
- mpSavedValuesSetName
[protected]
- mpScattCompList
[protected]
- mpScatteringFactor
[protected]
- mpTemperatureFactor
[protected]
- mRadiation
[protected]
- mRefparNotFixedIndex
[protected]
- mSavedValuesSetIsUsed
[protected]
- mScaleFactor
[private]
- mScatteringPowerIndex
[protected]
- mScatteringPowerIndex2
[protected]
- mScattFactNeedRecalc (defined in ObjCryst::ScatteringData)
[protected]
- mSinThetaLambda
[protected]
- mSubObjRegistry
[protected]
- mTanTheta
[protected]
- mThermicNeedRecalc (defined in ObjCryst::ScatteringData)
[protected]
- mTheta
[protected]
- mUseFastLessPreciseFunc
[protected]
- mWeight
[private]
- operator=(const RefinableObj &old)
- Prepare()
[protected, virtual]
- PrepareCalcStructFactor() const
[protected, virtual]
- PrepareForRefinement() const
- PrepareHKLarrays()
[protected, virtual]
- Print() const (defined in ObjCryst::RefinableObj)
[virtual]
- PrintFhklCalc() const
[virtual]
- PrintObsCalcData() const
[virtual]
- PrintObsData() const
[virtual]
- RandomizeConfiguration()
[virtual]
- RefinableObj()
- RefinableObj(const RefinableObj &old)
- RegisterClient(RefinableObj &) const
[virtual]
- RemoveSubRefObj(RefinableObj &)
[protected]
- ResetParList()
- RestoreParamSet(const long id)
- SaveHKLIobsIcalc(const string &filename="hklIobsIcalc.out")
- SaveParamSet(const long id) const
- ScatteringData() (defined in ObjCryst::ScatteringData)
- ScatteringData(const ScatteringData &old) (defined in ObjCryst::ScatteringData)
- SetCrystal(Crystal &crystal)
[virtual]
- SetEnergy(const double energy)
- SetHKL(CrystVector_double const &h, CrystVector_double const &k, CrystVector_double const &l)
[virtual]
- SetHklIobs(CrystVector_long const &h, CrystVector_long const &k, CrystVector_long const &l, CrystVector_double const &iObs, CrystVector_double const &sigma)
- SetIobs(const CrystVector_double &)
- SetIobsToIcalc()
- SetIsIgnoringImagScattFact(const bool b)
- 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)
- SetRadiationType(const RadiationType radiation)
[virtual]
- SetSigma(const CrystVector_double &)
- SetSigmaToSqrtIobs()
[virtual]
- SetUseFastLessPreciseFunc(const bool useItOrNot)
- SetUseOnlyLowAngleData(const bool useOnlyLowAngle, const double angle=0.) (defined in ObjCryst::DiffractionDataSingleCrystal)
[virtual]
- SetWavelength(const double lambda)
- SetWavelength(const string &XRayTubeElementName, const double alpha2Alpha1ratio=0.5)
- SetWeight(const CrystVector_double &)
- SetWeightToInvSigma2(const double minRelatSigma=1e-4)
[virtual]
- SortReflectionByTheta(const double maxTheta=-1.)
[protected]
- UnFixAllPar()
- UpdateDisplay() const
[virtual]
- XMLInput(istream &is, const XMLCrystTag &tag)
[virtual]
- XMLOutput(ostream &os, int indent=0) const
[virtual]
- ~DiffractionDataSingleCrystal() (defined in ObjCryst::DiffractionDataSingleCrystal)
- ~RefinableObj()
[virtual]
- ~ScatteringData() (defined in ObjCryst::ScatteringData)
Generated on Wed Nov 14 19:48:37 2001 for ObjCryst++ by
1.2.11.1 written by Dimitri van Heesch,
© 1997-2001