ObjCryst::DiffractionDataSingleCrystal Member List

This is the complete list of members for ObjCryst::DiffractionDataSingleCrystal, including all inherited members.

AddOption(RefObjOpt *opt)	ObjCryst::RefinableObj	protected
AddPar(const RefinablePar &newRefPar)	ObjCryst::RefinableObj
AddPar(RefinablePar *newRefPar)	ObjCryst::RefinableObj
AddPar(RefinableObj &newRefParList, const bool copyParam=false)	ObjCryst::RefinableObj
AddRestraint(Restraint *pNewRestraint)	ObjCryst::RefinableObj
AddSubRefObj(RefinableObj &)	ObjCryst::RefinableObj	protected
BeginGlobalOptRandomMove()	ObjCryst::RefinableObj
BeginOptimization(const bool allowApproximations=false, const bool enableRestraints=false)	ObjCryst::ScatteringData	virtual
CalcGeomStructFactor() const	ObjCryst::ScatteringData	protected
CalcGeomStructFactor_FullDeriv(std::set< RefinablePar * > &vPar) (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	protected
CalcGlobalTemperatureFactor() const	ObjCryst::ScatteringData	protected
CalcIcalc() const	ObjCryst::DiffractionDataSingleCrystal	private
CalcIcalc_FullDeriv(std::set< RefinablePar * > &vPar) (defined in ObjCryst::DiffractionDataSingleCrystal)	ObjCryst::DiffractionDataSingleCrystal	private
CalcLuzzatiFactor() const	ObjCryst::ScatteringData	protected
CalcResonantScattFactor() const	ObjCryst::ScatteringData	protectedvirtual
CalcScattFactor() const	ObjCryst::ScatteringData	protected
CalcSinThetaLambda() const	ObjCryst::ScatteringData	protectedvirtual
CalcSinThetaLambda(REAL h, REAL k, REAL l) const	ObjCryst::ScatteringData	protected
CalcStructFactor() const	ObjCryst::ScatteringData	protected
CalcStructFactor_FullDeriv(std::set< RefinablePar * > &vPar) (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	protected
CalcStructFactVariance() const	ObjCryst::ScatteringData	protected
CalcTemperatureFactor() const	ObjCryst::ScatteringData	protected
ClearParamSet(const unsigned long id) const	ObjCryst::RefinableObj
CreateCopy() const	ObjCryst::DiffractionDataSingleCrystal	virtual
CreateParamSet(const string name="") const	ObjCryst::RefinableObj
DeRegisterClient(RefinableObj &) const	ObjCryst::RefinableObj	virtual
DiffractionDataSingleCrystal(const bool regist=true)	ObjCryst::DiffractionDataSingleCrystal
DiffractionDataSingleCrystal(Crystal &cryst, const bool regist=true)	ObjCryst::DiffractionDataSingleCrystal
DiffractionDataSingleCrystal(const DiffractionDataSingleCrystal &old)	ObjCryst::DiffractionDataSingleCrystal
EliminateExtinctReflections()	ObjCryst::ScatteringData	protected
EndOptimization()	ObjCryst::ScatteringData	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
FitScaleFactorForR() const	ObjCryst::DiffractionDataSingleCrystal	virtual
FitScaleFactorForRw() const	ObjCryst::DiffractionDataSingleCrystal	virtual
FixAllPar()	ObjCryst::RefinableObj
GenHKLFullSpace(const REAL maxTheta, const bool unique=false)	ObjCryst::ScatteringData	virtual
GenHKLFullSpace2(const REAL maxsithsl, const bool unique=false)	ObjCryst::ScatteringData	virtual
GetBestRFactor() const	ObjCryst::DiffractionDataSingleCrystal	virtual
GetBMatrix() const	ObjCryst::ScatteringData	protectedvirtual
GetChi2() const	ObjCryst::DiffractionDataSingleCrystal	virtual
GetClassName() const	ObjCryst::DiffractionDataSingleCrystal	virtual
GetClientRegistry() const	ObjCryst::RefinableObj	virtual
GetClientRegistry()	ObjCryst::RefinableObj	virtual
GetClockMaster() const	ObjCryst::RefinableObj
GetClockNbReflBelowMaxSinThetaOvLambda() const	ObjCryst::ScatteringData
GetClockTheta() const	ObjCryst::ScatteringData
GetCrystal() const	ObjCryst::ScatteringData
GetCrystal()	ObjCryst::ScatteringData
GetFhklCalcImag() const	ObjCryst::ScatteringData
GetFhklCalcReal() const	ObjCryst::ScatteringData
GetFhklCalcSq() const	ObjCryst::ScatteringData
GetFhklCalcSq_FullDeriv(std::set< RefinablePar * > &vPar) (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData
GetFhklObsSq() const	ObjCryst::ScatteringData
GetGeneGroup(const RefinableObj &obj, CrystVector_uint &groupIndex, unsigned int &firstGroup) const	ObjCryst::RefinableObj	virtual
GetH() const	ObjCryst::ScatteringData
GetH2Pi() const	ObjCryst::ScatteringData
GetIcalc() const	ObjCryst::DiffractionDataSingleCrystal
GetIcalc_FullDeriv(std::set< RefinablePar * > &vPar)	ObjCryst::DiffractionDataSingleCrystal
GetIobs() const	ObjCryst::DiffractionDataSingleCrystal
GetK() const	ObjCryst::ScatteringData
GetK2Pi() const	ObjCryst::ScatteringData
GetL() const	ObjCryst::ScatteringData
GetL2Pi() const	ObjCryst::ScatteringData
GetLogLikelihood() const	ObjCryst::DiffractionDataSingleCrystal	virtual
GetLSQ_FullDeriv(const unsigned int, std::set< RefinablePar * > &vPar)	ObjCryst::DiffractionDataSingleCrystal	virtual
GetLSQCalc(const unsigned int) const	ObjCryst::DiffractionDataSingleCrystal	virtual
GetLSQDeriv(const unsigned int, RefinablePar &)	ObjCryst::RefinableObj	virtual
GetLSQObs(const unsigned int) const	ObjCryst::DiffractionDataSingleCrystal	virtual
GetLSQWeight(const unsigned int) const	ObjCryst::DiffractionDataSingleCrystal	virtual
GetMaxSinThetaOvLambda() const	ObjCryst::ScatteringData
GetName() const	ObjCryst::RefinableObj	virtual
GetNbLSQFunction() const	ObjCryst::DiffractionDataSingleCrystal	virtual
GetNbOption() const	ObjCryst::RefinableObj
GetNbPar() const	ObjCryst::RefinableObj
GetNbParNotFixed() const	ObjCryst::RefinableObj
GetNbRefl() const	ObjCryst::ScatteringData
GetNbReflBelowMaxSinThetaOvLambda() const	ObjCryst::ScatteringData	virtual
GetOption(const unsigned int i)	ObjCryst::RefinableObj
GetOption(const unsigned int i) const	ObjCryst::RefinableObj
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
GetR() const	ObjCryst::DiffractionDataSingleCrystal	virtual
GetRadiation() const	ObjCryst::DiffractionDataSingleCrystal	virtual
GetRadiation() (defined in ObjCryst::DiffractionDataSingleCrystal)	ObjCryst::DiffractionDataSingleCrystal
GetRadiationType() const	ObjCryst::ScatteringData
GetReflX() const	ObjCryst::ScatteringData
GetReflY() const	ObjCryst::ScatteringData
GetReflZ() const	ObjCryst::ScatteringData
GetRefParListClock() const	ObjCryst::RefinableObj
GetRestraintCost() const	ObjCryst::RefinableObj	virtual
GetRw() const	ObjCryst::DiffractionDataSingleCrystal	virtual
GetScaleFactor() const	ObjCryst::DiffractionDataSingleCrystal
GetScatteringFactor() const	ObjCryst::ScatteringData
GetSigma() const	ObjCryst::DiffractionDataSingleCrystal
GetSinThetaOverLambda() const	ObjCryst::ScatteringData
GetSubObjRegistry()	ObjCryst::RefinableObj
GetSubObjRegistry() const	ObjCryst::RefinableObj
GetTheta() const	ObjCryst::ScatteringData
GetWavelength() const	ObjCryst::ScatteringData
GetWeight() const	ObjCryst::DiffractionDataSingleCrystal
GlobalOptRandomMove(const REAL mutationAmplitude, const RefParType *type=gpRefParTypeObjCryst)	ObjCryst::DiffractionDataSingleCrystal	virtual
HasCrystal() const	ObjCryst::ScatteringData
ImportCIF(const string &fileName)	ObjCryst::DiffractionDataSingleCrystal
ImportHklIobs(const string &fileName, const long nbRefl, const int skipLines=0)	ObjCryst::DiffractionDataSingleCrystal
ImportHklIobsGroup(const string &fileName, const unsigned int skipLines=0)	ObjCryst::DiffractionDataSingleCrystal
ImportHklIobsSigma(const string &fileName, const long nbRefl, const int skipLines=0)	ObjCryst::DiffractionDataSingleCrystal
ImportHklIobsSigmaJanaM91(const string &fileName)	ObjCryst::DiffractionDataSingleCrystal
ImportShelxHKLF4(const string &fileName)	ObjCryst::DiffractionDataSingleCrystal
InitOptions()	ObjCryst::DiffractionDataSingleCrystal	private
InitRefParList() (defined in ObjCryst::DiffractionDataSingleCrystal)	ObjCryst::DiffractionDataSingleCrystal	privatevirtual
IsBeingRefined() const	ObjCryst::RefinableObj
IsIgnoringImagScattFact() const	ObjCryst::ScatteringData
mCalcIntensity	ObjCryst::DiffractionDataSingleCrystal	mutableprivate
mCalcIntensity_FullDeriv (defined in ObjCryst::DiffractionDataSingleCrystal)	ObjCryst::DiffractionDataSingleCrystal	mutableprivate
mChi2	ObjCryst::DiffractionDataSingleCrystal	mutableprivate
mClientObjRegistry	ObjCryst::RefinableObj	mutableprotected
mClockChi2	ObjCryst::DiffractionDataSingleCrystal	mutableprivate
mClockFhklCalcVariance (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	mutableprotected
mClockFhklObsSq	ObjCryst::ScatteringData	protected
mClockGeomStructFact	ObjCryst::ScatteringData	mutableprotected
mClockGlobalBiso	ObjCryst::ScatteringData	protected
mClockGlobalTemperatureFact	ObjCryst::ScatteringData	mutableprotected
mClockHKL	ObjCryst::ScatteringData	protected
mClockIcalc	ObjCryst::DiffractionDataSingleCrystal	mutableprivate
mClockLuzzatiFactor (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	mutableprotected
mClockMaster	ObjCryst::RefinableObj	protected
mClockNbReflUsed	ObjCryst::ScatteringData	mutableprotected
mClockPrepareTwinningCorr	ObjCryst::DiffractionDataSingleCrystal	mutableprivate
mClockScaleFactor	ObjCryst::DiffractionDataSingleCrystal	mutableprivate
mClockScattFactor	ObjCryst::ScatteringData	mutableprotected
mClockScattFactorResonant	ObjCryst::ScatteringData	mutableprotected
mClockStructFactor	ObjCryst::ScatteringData	mutableprotected
mClockStructFactorSq	ObjCryst::ScatteringData	mutableprotected
mClockThermicFact	ObjCryst::ScatteringData	mutableprotected
mClockTheta	ObjCryst::ScatteringData	mutableprotected
mDeleteRefParInDestructor	ObjCryst::RefinableObj	protected
mExpectedIntensityFactor	ObjCryst::ScatteringData	protected
mFhklCalcImag (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	mutableprotected
mFhklCalcImag_FullDeriv (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	mutableprotected
mFhklCalcReal	ObjCryst::ScatteringData	mutableprotected
mFhklCalcReal_FullDeriv (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	mutableprotected
mFhklCalcSq	ObjCryst::ScatteringData	mutableprotected
mFhklCalcSq_FullDeriv (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	mutableprotected
mFhklCalcVariance	ObjCryst::ScatteringData	mutableprotected
mFhklObsSq	ObjCryst::ScatteringData	protected
mGlobalBiso	ObjCryst::ScatteringData	protected
mGlobalTemperatureFactor	ObjCryst::ScatteringData	mutableprotected
mGroupIcalc	ObjCryst::DiffractionDataSingleCrystal	mutableprivate
mGroupIcalc_FullDeriv (defined in ObjCryst::DiffractionDataSingleCrystal)	ObjCryst::DiffractionDataSingleCrystal	mutableprivate
mGroupIndex	ObjCryst::DiffractionDataSingleCrystal	mutableprivate
mGroupIobs	ObjCryst::DiffractionDataSingleCrystal	mutableprivate
mGroupOption	ObjCryst::DiffractionDataSingleCrystal	private
mGroupSigma	ObjCryst::DiffractionDataSingleCrystal	mutableprivate
mGroupWeight	ObjCryst::DiffractionDataSingleCrystal	mutableprivate
mH	ObjCryst::ScatteringData	protected
mH2Pi	ObjCryst::ScatteringData	mutableprotected
mHasObservedData	ObjCryst::DiffractionDataSingleCrystal	private
mIgnoreImagScattFact	ObjCryst::ScatteringData	protected
mIntH	ObjCryst::ScatteringData	mutableprotected
mIntK (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	mutableprotected
mIntL (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	mutableprotected
mK (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	protected
mK2Pi (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	mutableprotected
mL (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	protected
mL2Pi (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	mutableprotected
mLSQ_FullDeriv	ObjCryst::RefinableObj	mutableprotected
mLSQDeriv	ObjCryst::RefinableObj	mutableprotected
mMaxSinThetaOvLambda	ObjCryst::ScatteringData	protected
mMultiplicity	ObjCryst::ScatteringData	protected
mName	ObjCryst::RefinableObj	protected
mNbGroup	ObjCryst::DiffractionDataSingleCrystal	mutableprivate
mNbGroupUsed	ObjCryst::DiffractionDataSingleCrystal	mutableprivate
mNbRefl	ObjCryst::ScatteringData	protected
mNbReflUsed	ObjCryst::ScatteringData	mutableprotected
mNbRefParNotFixed	ObjCryst::RefinableObj	mutableprotected
mObsIntensity	ObjCryst::DiffractionDataSingleCrystal	private
mObsSigma	ObjCryst::DiffractionDataSingleCrystal	private
mOptimizationDepth	ObjCryst::RefinableObj	protected
mOptionRegistry	ObjCryst::RefinableObj	protected
mpCrystal	ObjCryst::ScatteringData	protected
mRadiation (defined in ObjCryst::DiffractionDataSingleCrystal)	ObjCryst::DiffractionDataSingleCrystal	private
mRandomMoveIsDone	ObjCryst::RefinableObj	protected
mRefParListClock	ObjCryst::RefinableObj	protected
mRefparNotFixedIndex	ObjCryst::RefinableObj	mutableprotected
mScaleFactor	ObjCryst::DiffractionDataSingleCrystal	mutableprivate
mSinThetaLambda	ObjCryst::ScatteringData	mutableprotected
mSubObjRegistry	ObjCryst::RefinableObj	protected
mTheta	ObjCryst::ScatteringData	mutableprotected
mUseFastLessPreciseFunc	ObjCryst::ScatteringData	protected
mvFprime	ObjCryst::ScatteringData	mutableprotected
mvFsecond (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	mutableprotected
mvImagGeomSF (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	mutableprotected
mvImagGeomSF_FullDeriv (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	mutableprotected
mvLuzzatiFactor	ObjCryst::ScatteringData	mutableprotected
mvpRefPar	ObjCryst::RefinableObj	protected
mvpRestraint	ObjCryst::RefinableObj	protected
mvpSavedValuesSet	ObjCryst::RefinableObj	mutableprotected
mvRealGeomSF	ObjCryst::ScatteringData	mutableprotected
mvRealGeomSF_FullDeriv (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	mutableprotected
mvScatteringFactor	ObjCryst::ScatteringData	mutableprotected
mvTemperatureFactor	ObjCryst::ScatteringData	mutableprotected
mWeight	ObjCryst::DiffractionDataSingleCrystal	private
mX	ObjCryst::ScatteringData	mutableprotected
mY (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	mutableprotected
mZ (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData	mutableprotected
operator=(const RefinableObj &old)	ObjCryst::RefinableObj
Prepare()	ObjCryst::RefinableObj	protectedvirtual
PrepareForRefinement() const	ObjCryst::RefinableObj
PrepareHKLarrays()	ObjCryst::ScatteringData	protectedvirtual
PrepareTwinningCalc() const	ObjCryst::DiffractionDataSingleCrystal	private
Print() const (defined in ObjCryst::RefinableObj)	ObjCryst::RefinableObj	virtual
PrintFhklCalc(ostream &os=cout) const	ObjCryst::ScatteringData	virtual
PrintFhklCalcDetail(ostream &os=cout) const	ObjCryst::ScatteringData	virtual
PrintObsCalcData() const	ObjCryst::DiffractionDataSingleCrystal	virtual
PrintObsData() const	ObjCryst::DiffractionDataSingleCrystal	virtual
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
RemovePar(RefinablePar *refPar)	ObjCryst::RefinableObj
RemoveRestraint(Restraint *pRestraint)	ObjCryst::RefinableObj
RemoveSubRefObj(RefinableObj &)	ObjCryst::RefinableObj	protected
ResetParList()	ObjCryst::RefinableObj
RestoreParamSet(const unsigned long id)	ObjCryst::RefinableObj
SaveHKLIobsIcalc(const string &filename="hklIobsIcalc.out")	ObjCryst::DiffractionDataSingleCrystal
SaveParamSet(const unsigned long id) const	ObjCryst::RefinableObj
ScatteringData() (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData
ScatteringData(const ScatteringData &old) (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData
SetApproximationFlag(const bool allow)	ObjCryst::ScatteringData	virtual
SetCrystal(Crystal &crystal)	ObjCryst::ScatteringData	virtual
SetDeleteRefParInDestructor(const bool b)	ObjCryst::RefinableObj
SetEnergy(const REAL)	ObjCryst::DiffractionDataSingleCrystal
SetGlobalOptimStep(const RefParType *type, const REAL step)	ObjCryst::RefinableObj
SetHKL(const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l)	ObjCryst::ScatteringData	virtual
SetHklIobs(const CrystVector_long &h, const CrystVector_long &k, const CrystVector_long &l, const CrystVector_REAL &iObs, const CrystVector_REAL &sigma)	ObjCryst::DiffractionDataSingleCrystal
SetIobs(const CrystVector_REAL &)	ObjCryst::DiffractionDataSingleCrystal
SetIobsToIcalc()	ObjCryst::DiffractionDataSingleCrystal
SetIsIgnoringImagScattFact(const bool b)	ObjCryst::ScatteringData
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
SetMaxSinThetaOvLambda(const REAL max)	ObjCryst::ScatteringData	virtual
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
SetRadiationType(const RadiationType radiation)	ObjCryst::DiffractionDataSingleCrystal	virtual
SetSigma(const CrystVector_REAL &)	ObjCryst::DiffractionDataSingleCrystal
SetSigmaToSqrtIobs()	ObjCryst::DiffractionDataSingleCrystal	virtual
SetUseOnlyLowAngleData(const bool useOnlyLowAngle, const REAL angle=0.) (defined in ObjCryst::DiffractionDataSingleCrystal)	ObjCryst::DiffractionDataSingleCrystal	virtual
SetWavelength(const REAL)	ObjCryst::DiffractionDataSingleCrystal
SetWavelength(const string &XRayTubeElementName, const REAL alpha2Alpha2ratio=0.5)	ObjCryst::DiffractionDataSingleCrystal
SetWeight(const CrystVector_REAL &)	ObjCryst::DiffractionDataSingleCrystal
SetWeightToInvSigma2(const REAL minRelatSigma=1e-4, const REAL minIobsSigmaRatio=0)	ObjCryst::DiffractionDataSingleCrystal	virtual
SortReflectionBySinThetaOverLambda(const REAL maxTheta=-1.)	ObjCryst::DiffractionDataSingleCrystal	privatevirtual
TagNewBestConfig() const	ObjCryst::RefinableObj	virtual
UnFixAllPar()	ObjCryst::RefinableObj
UpdateDisplay() const	ObjCryst::RefinableObj	virtual
XMLInput(istream &is, const XMLCrystTag &tag)	ObjCryst::DiffractionDataSingleCrystal	virtual
XMLOutput(ostream &os, int indent=0) const	ObjCryst::DiffractionDataSingleCrystal	virtual
~DiffractionDataSingleCrystal() (defined in ObjCryst::DiffractionDataSingleCrystal)	ObjCryst::DiffractionDataSingleCrystal
~RefinableObj()	ObjCryst::RefinableObj	virtual
~ScatteringData() (defined in ObjCryst::ScatteringData)	ObjCryst::ScatteringData