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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)ObjCryst::RefinableObj [protected]
AddPar(const RefinablePar &newRefPar)ObjCryst::RefinableObj
AddPar(RefinablePar *newRefPar)ObjCryst::RefinableObj
AddPar(RefinableObj &newRefParList)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 ScatteringComponentList &scattCompList, const SpaceGroup &spg, const CrystVector_long &structFactorIndex, CrystVector_REAL *rsf2, CrystVector_REAL *isf2, bool useFastTabulatedTrigFunctions=false) constObjCryst::ScatteringData [protected]
CalcGlobalTemperatureFactor() constObjCryst::ScatteringData [protected]
CalcIcalc() constObjCryst::DiffractionDataSingleCrystal [private]
CalcLuzzatiFactor() constObjCryst::ScatteringData [protected]
CalcResonantScattFactor() constObjCryst::ScatteringData [protected, virtual]
CalcScattFactor() constObjCryst::ScatteringData [protected]
CalcSinThetaLambda() constObjCryst::ScatteringData [protected, virtual]
CalcStructFactor() constObjCryst::ScatteringData [protected]
CalcStructFactVariance() constObjCryst::ScatteringData [protected]
CalcTemperatureFactor() constObjCryst::ScatteringData [protected]
ClearParamSet(const unsigned long id) constObjCryst::RefinableObj
CreateCopy() constObjCryst::DiffractionDataSingleCrystal [virtual]
CreateParamSet(const string name="") constObjCryst::RefinableObj
DeRegisterClient(RefinableObj &) constObjCryst::RefinableObj [virtual]
DiffractionDataSingleCrystal() (defined in ObjCryst::DiffractionDataSingleCrystal)ObjCryst::DiffractionDataSingleCrystal
DiffractionDataSingleCrystal(Crystal &cryst)ObjCryst::DiffractionDataSingleCrystal
DiffractionDataSingleCrystal(const DiffractionDataSingleCrystal &old)ObjCryst::DiffractionDataSingleCrystal
EliminateExtinctReflections()ObjCryst::ScatteringData [protected]
EndOptimization()ObjCryst::ScatteringData [virtual]
EraseAllParamSet()ObjCryst::RefinableObj
FindPar(const string &name) constObjCryst::RefinableObj [protected]
FindPar(const REAL *) constObjCryst::RefinableObj [protected]
FindParamSet(unsigned long id) constObjCryst::RefinableObj [protected]
FitScaleFactorForR()ObjCryst::DiffractionDataSingleCrystal [virtual]
FitScaleFactorForRw()ObjCryst::DiffractionDataSingleCrystal [virtual]
FixAllPar()ObjCryst::RefinableObj
GenHKLFullSpace(const REAL maxTheta, const bool useMultiplicity=false)ObjCryst::ScatteringData [virtual]
GetBestRFactor()ObjCryst::DiffractionDataSingleCrystal [virtual]
GetChi2() constObjCryst::DiffractionDataSingleCrystal [virtual]
GetClassName() constObjCryst::DiffractionDataSingleCrystal [virtual]
GetClockNbReflBelowMaxSinThetaOvLambda() constObjCryst::ScatteringData
GetClockTheta() constObjCryst::ScatteringData
GetCrystal() constObjCryst::ScatteringData
GetCrystal()ObjCryst::ScatteringData
GetFhklCalcImag() constObjCryst::ScatteringData
GetFhklCalcReal() constObjCryst::ScatteringData
GetFhklCalcSq() constObjCryst::ScatteringData
GetGeneGroup(const RefinableObj &obj, CrystVector_uint &groupIndex, unsigned int &firstGroup) constObjCryst::RefinableObj [virtual]
GetH() constObjCryst::ScatteringData
GetH2Pi() constObjCryst::ScatteringData
GetIcalc() constObjCryst::DiffractionDataSingleCrystal
GetIobs() constObjCryst::DiffractionDataSingleCrystal
GetK() constObjCryst::ScatteringData
GetK2Pi() constObjCryst::ScatteringData
GetL() constObjCryst::ScatteringData
GetL2Pi() constObjCryst::ScatteringData
GetLogLikelihood() constObjCryst::DiffractionDataSingleCrystal [virtual]
GetLSQCalc(const unsigned int) constObjCryst::DiffractionDataSingleCrystal [virtual]
GetLSQDeriv(const unsigned int, RefinablePar &)ObjCryst::RefinableObj [virtual]
GetLSQObs(const unsigned int) constObjCryst::DiffractionDataSingleCrystal [virtual]
GetLSQWeight(const unsigned int) constObjCryst::DiffractionDataSingleCrystal [virtual]
GetMaxSinThetaOvLambda() constObjCryst::ScatteringData
GetName() constObjCryst::RefinableObj [virtual]
GetNbLSQFunction() constObjCryst::DiffractionDataSingleCrystal [virtual]
GetNbOption() constObjCryst::RefinableObj
GetNbPar() constObjCryst::RefinableObj
GetNbParNotFixed() constObjCryst::RefinableObj
GetNbRefl() constObjCryst::ScatteringData
GetNbReflBelowMaxSinThetaOvLambda() constObjCryst::ScatteringData
GetOption(const unsigned int i)ObjCryst::RefinableObj
GetOption(const unsigned int i) constObjCryst::RefinableObj
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 unsigned long setId) constObjCryst::RefinableObj
GetParamSet(const unsigned long setId)ObjCryst::RefinableObj
GetParamSet_ParNotFixedHumanValue(const unsigned long setId, const long parNumber) constObjCryst::RefinableObj
GetParNotFixed(const long i)ObjCryst::RefinableObj
GetParNotFixed(const long i) constObjCryst::RefinableObj
GetR() constObjCryst::DiffractionDataSingleCrystal [virtual]
GetRadiation() constObjCryst::DiffractionDataSingleCrystal [virtual]
GetRadiation() (defined in ObjCryst::DiffractionDataSingleCrystal)ObjCryst::DiffractionDataSingleCrystal
GetRadiationType() constObjCryst::ScatteringData
GetReflX() constObjCryst::ScatteringData
GetReflY() constObjCryst::ScatteringData
GetReflZ() constObjCryst::ScatteringData
GetRefParListClock() constObjCryst::RefinableObj
GetRestraintCost() constObjCryst::RefinableObj [virtual]
GetRw() constObjCryst::DiffractionDataSingleCrystal [virtual]
GetScaleFactor() constObjCryst::DiffractionDataSingleCrystal
GetSigma() constObjCryst::DiffractionDataSingleCrystal
GetSinThetaOverLambda() constObjCryst::ScatteringData
GetSubObjRegistry()ObjCryst::RefinableObj
GetSubObjRegistry() constObjCryst::RefinableObj
GetTheta() constObjCryst::ScatteringData
GetWavelength() constObjCryst::ScatteringData
GetWeight() constObjCryst::DiffractionDataSingleCrystal
GlobalOptRandomMove(const REAL mutationAmplitude, const RefParType *type=gpRefParTypeObjCryst)ObjCryst::DiffractionDataSingleCrystal [virtual]
ImportHklIobs(const string &fileName, const long nbRefl, const int skipLines=0)ObjCryst::DiffractionDataSingleCrystal
ImportHklIobsSigma(const string &fileName, const long nbRefl, const int skipLines=0)ObjCryst::DiffractionDataSingleCrystal
ImportHklIobsSigmaJanaM91(const string &fileName)ObjCryst::DiffractionDataSingleCrystal
InitOptions()ObjCryst::DiffractionDataSingleCrystal [private]
InitRandomSeedFromTime() constObjCryst::RefinableObj [protected]
InitRefParList() (defined in ObjCryst::DiffractionDataSingleCrystal)ObjCryst::DiffractionDataSingleCrystal [private, virtual]
IsBeingRefined() constObjCryst::RefinableObj
IsIgnoringImagScattFact() constObjCryst::ScatteringData
mAnomalousNeedRecalc (defined in ObjCryst::ScatteringData)ObjCryst::ScatteringData [protected]
mCalcIntensityObjCryst::DiffractionDataSingleCrystal [private]
mChi2ObjCryst::DiffractionDataSingleCrystal [private]
mClientObjRegistryObjCryst::RefinableObj [protected]
mClockChi2ObjCryst::DiffractionDataSingleCrystal [private]
mClockFhklCalcVariance (defined in ObjCryst::ScatteringData)ObjCryst::ScatteringData [protected]
mClockGeomStructFactObjCryst::ScatteringData [protected]
mClockGlobalBisoObjCryst::ScatteringData [protected]
mClockGlobalTemperatureFactObjCryst::ScatteringData [protected]
mClockHKLObjCryst::ScatteringData [protected]
mClockIcalcObjCryst::DiffractionDataSingleCrystal [private]
mClockLuzzatiFactor (defined in ObjCryst::ScatteringData)ObjCryst::ScatteringData [protected]
mClockNbReflUsedObjCryst::ScatteringData [protected]
mClockPrepareTwinningCorrObjCryst::DiffractionDataSingleCrystal [private]
mClockScaleFactorObjCryst::DiffractionDataSingleCrystal [private]
mClockScattFactorObjCryst::ScatteringData [protected]
mClockScattFactorResonantObjCryst::ScatteringData [protected]
mClockStructFactorObjCryst::ScatteringData [protected]
mClockStructFactorSqObjCryst::ScatteringData [protected]
mClockThermicFactObjCryst::ScatteringData [protected]
mClockThetaObjCryst::ScatteringData [protected]
mDeleteRefParInDestructorObjCryst::RefinableObj [protected]
mExpectedIntensityFactorObjCryst::ScatteringData [protected]
mFhklCalcImagObjCryst::ScatteringData [protected]
mFhklCalcNeedRecalc (defined in ObjCryst::ScatteringData)ObjCryst::ScatteringData [protected]
mFhklCalcRealObjCryst::ScatteringData [protected]
mFhklCalcSqObjCryst::ScatteringData [protected]
mFhklCalcVarianceObjCryst::ScatteringData [protected]
mFprimeObjCryst::ScatteringData [protected]
mFsecondObjCryst::ScatteringData [protected]
mGeomFhklCalcNeedRecalc (defined in ObjCryst::ScatteringData)ObjCryst::ScatteringData [protected]
mGlobalBisoObjCryst::ScatteringData [protected]
mGlobalTemperatureFactorObjCryst::ScatteringData [protected]
mHObjCryst::ScatteringData [protected]
mH2PiObjCryst::ScatteringData [protected]
mHasObservedDataObjCryst::DiffractionDataSingleCrystal [private]
mIgnoreImagScattFactObjCryst::ScatteringData [protected]
mIntHObjCryst::ScatteringData [protected]
mIntKObjCryst::ScatteringData [protected]
mIntLObjCryst::ScatteringData [protected]
mIsbeingRefinedObjCryst::RefinableObj [protected]
mKObjCryst::ScatteringData [protected]
mK2PiObjCryst::ScatteringData [protected]
mLObjCryst::ScatteringData [protected]
mL2PiObjCryst::ScatteringData [protected]
mLastScattCompList (defined in ObjCryst::ScatteringData)ObjCryst::ScatteringData [protected]
mLSQDerivObjCryst::RefinableObj [protected]
mMaxSinThetaOvLambdaObjCryst::ScatteringData [protected]
mMultiplicityObjCryst::ScatteringData [protected]
mNameObjCryst::RefinableObj [protected]
mNbReflObjCryst::ScatteringData [protected]
mNbReflUsedObjCryst::ScatteringData [protected]
mNbRefParNotFixedObjCryst::RefinableObj [protected]
mNbScatteringPowerObjCryst::ScatteringData [protected]
mObsIntensityObjCryst::DiffractionDataSingleCrystal [private]
mObsSigmaObjCryst::DiffractionDataSingleCrystal [private]
mOptionRegistryObjCryst::RefinableObj [protected]
mpCrystalObjCryst::ScatteringData [protected]
mpImagGeomSFObjCryst::ScatteringData [protected]
mpRealGeomSFObjCryst::ScatteringData [protected]
mpScattCompListObjCryst::ScatteringData [protected]
mpScatteringFactorObjCryst::ScatteringData [protected]
mpTemperatureFactorObjCryst::ScatteringData [protected]
mRadiation (defined in ObjCryst::DiffractionDataSingleCrystal)ObjCryst::DiffractionDataSingleCrystal [private]
mRandomMoveIsDoneObjCryst::RefinableObj [protected]
mRefParListClockObjCryst::RefinableObj [protected]
mRefparNotFixedIndexObjCryst::RefinableObj [protected]
mScaleFactorObjCryst::DiffractionDataSingleCrystal [private]
mScatteringPowerIndexObjCryst::ScatteringData [protected]
mScatteringPowerIndex2ObjCryst::ScatteringData [protected]
mScattFactNeedRecalc (defined in ObjCryst::ScatteringData)ObjCryst::ScatteringData [protected]
mSinThetaLambdaObjCryst::ScatteringData [protected]
mSubObjRegistryObjCryst::RefinableObj [protected]
mThermicNeedRecalc (defined in ObjCryst::ScatteringData)ObjCryst::ScatteringData [protected]
mThetaObjCryst::ScatteringData [protected]
mTwinnedGroupIndexObjCryst::DiffractionDataSingleCrystal [private]
mTwinnedIcalcSumObjCryst::DiffractionDataSingleCrystal [private]
mTwinnedIobsSumObjCryst::DiffractionDataSingleCrystal [private]
mTwinnedWeightObjCryst::DiffractionDataSingleCrystal [private]
mTwinningOptionObjCryst::DiffractionDataSingleCrystal [private]
mUseFastLessPreciseFuncObjCryst::ScatteringData [protected]
mvLuzzatiFactorObjCryst::ScatteringData [protected]
mvpRefParObjCryst::RefinableObj [protected]
mvpRestraintObjCryst::RefinableObj [protected]
mvpSavedValuesSetObjCryst::RefinableObj [protected]
mWeightObjCryst::DiffractionDataSingleCrystal [private]
mXObjCryst::ScatteringData [protected]
mYObjCryst::ScatteringData [protected]
mZObjCryst::ScatteringData [protected]
operator=(const RefinableObj &old)ObjCryst::RefinableObj
Prepare()ObjCryst::RefinableObj [protected, virtual]
PrepareCalcStructFactor() constObjCryst::ScatteringData [protected, virtual]
PrepareForRefinement() constObjCryst::RefinableObj
PrepareHKLarrays()ObjCryst::ScatteringData [protected, virtual]
PrepareTwinningCalc() constObjCryst::DiffractionDataSingleCrystal [private]
Print() const (defined in ObjCryst::RefinableObj)ObjCryst::RefinableObj [virtual]
PrintFhklCalc(ostream &os=cout) constObjCryst::ScatteringData [virtual]
PrintFhklCalcDetail(ostream &os=cout) constObjCryst::ScatteringData [virtual]
PrintObsCalcData() constObjCryst::DiffractionDataSingleCrystal [virtual]
PrintObsData() constObjCryst::DiffractionDataSingleCrystal [virtual]
RandomizeConfiguration()ObjCryst::RefinableObj [virtual]
RefinableObj()ObjCryst::RefinableObj
RefinableObj(const bool internalUseOnly)ObjCryst::RefinableObj
RefinableObj(const RefinableObj &old)ObjCryst::RefinableObj
RegisterClient(RefinableObj &) constObjCryst::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) constObjCryst::RefinableObj
ScatteringData() (defined in ObjCryst::ScatteringData)ObjCryst::ScatteringData
ScatteringData(const ScatteringData &old) (defined in ObjCryst::ScatteringData)ObjCryst::ScatteringData
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)ObjCryst::DiffractionDataSingleCrystal [virtual]
SortReflectionByTheta(const REAL maxTheta=-1.)ObjCryst::DiffractionDataSingleCrystal [private, virtual]
TagNewBestConfig() constObjCryst::RefinableObj [virtual]
UnFixAllPar()ObjCryst::RefinableObj
UpdateDisplay() constObjCryst::RefinableObj [virtual]
XMLInput(istream &is, const XMLCrystTag &tag)ObjCryst::DiffractionDataSingleCrystal [virtual]
XMLOutput(ostream &os, int indent=0) constObjCryst::DiffractionDataSingleCrystal [virtual]
~DiffractionDataSingleCrystal() (defined in ObjCryst::DiffractionDataSingleCrystal)ObjCryst::DiffractionDataSingleCrystal
~RefinableObj()ObjCryst::RefinableObj [virtual]
~ScatteringData() (defined in ObjCryst::ScatteringData)ObjCryst::ScatteringData

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