ObjCryst::ReflectionProfileDoubleExponentialPseudoVoigt Class Reference

Double-Exponential Pseudo-Voigt profile for TOF. More...

Inheritance diagram for ObjCryst::ReflectionProfileDoubleExponentialPseudoVoigt:

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Collaboration diagram for ObjCryst::ReflectionProfileDoubleExponentialPseudoVoigt:

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List of all members.

Public Member Functions
	ReflectionProfileDoubleExponentialPseudoVoigt ()
	Constructor, without unit cell.
	ReflectionProfileDoubleExponentialPseudoVoigt (const UnitCell &cell)
	Constructor, with unit cell.
	ReflectionProfileDoubleExponentialPseudoVoigt (const ReflectionProfileDoubleExponentialPseudoVoigt &old)
virtual ReflectionProfileDoubleExponentialPseudoVoigt *	CreateCopy () const
virtual const string &	GetClassName () const
	Name for this class ("RefinableObj", "Crystal",...). This is only useful to distinguish different classes when picking up objects from the RefinableObj Global Registry.
CrystVector_REAL	GetProfile (const CrystVector_REAL &x, const REAL xcenter, const REAL h, const REAL k, const REAL l) const
	Get the reflection profile.
void	SetProfilePar (const REAL instrumentAlpha0, const REAL instrumentAlpha1, const REAL instrumentBeta0, const REAL instrumentBeta1, const REAL gaussianSigma0, const REAL gaussianSigma1, const REAL gaussianSigma2, const REAL lorentzianGamma0, const REAL lorentzianGamma1, const REAL lorentzianGamma2)
	Set reflection profile parameters.
virtual REAL	GetFullProfileWidth (const REAL relativeIntensity, const REAL xcenter, const REAL h, const REAL k, const REAL l)
	Get the (approximate) full profile width at a given percentage of the profile maximum (e.g. FWHM=GetFullProfileWidth(0.5)).
bool	IsAnisotropic () const
	Is the profile anisotropic ?
virtual void	XMLOutput (ostream &os, int indent=0) const
	Output to stream in well-formed XML.
virtual void	XMLInput (istream &is, const XMLCrystTag &tag)
	Input From stream.
void	SetUnitCell (const UnitCell &cell)
	Set unit cell.
Private Member Functions
void	InitParameters ()
	Initialize parameters.
Private Attributes
REAL	mInstrumentAlpha0
REAL	mInstrumentAlpha1
REAL	mInstrumentBeta0
REAL	mInstrumentBeta1
REAL	mGaussianSigma0
REAL	mGaussianSigma1
REAL	mGaussianSigma2
REAL	mLorentzianGamma0
REAL	mLorentzianGamma1
REAL	mLorentzianGamma2
const UnitCell *	mpCell

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Detailed Description

Double-Exponential Pseudo-Voigt profile for TOF.

Ref Mark Pitt

Definition at line 157 of file ReflectionProfile.h.

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Member Function Documentation

CrystVector_REAL ObjCryst::ReflectionProfileDoubleExponentialPseudoVoigt::GetProfile	(	const CrystVector_REAL &	x,
		const REAL	xcenter,
		const REAL	h,
		const REAL	k,
		const REAL	l
	)			const [virtual]

Get the reflection profile.

Parameters:

	x,:	the vector of x coordinates (i.e. either 2theta or time-of-flight)
	xcenter,:	coordinate (2theta, tof) of the center of the peak
	h,k,l,:	reflection Miller indices

Note:

: derived classes who need either d_hkl or the orthonormal coordinates of the scattering vector should be passed a ObjCryst::UnitCell object in the constructor so that they can use ObjCryst::UnitCell::MillerToOrthonormalCoords()

Implements ObjCryst::ReflectionProfile.

Definition at line 553 of file ReflectionProfile.cpp.

void ObjCryst::ReflectionProfileDoubleExponentialPseudoVoigt::SetProfilePar	(	const REAL	instrumentAlpha0,
		const REAL	instrumentAlpha1,
		const REAL	instrumentBeta0,
		const REAL	instrumentBeta1,
		const REAL	gaussianSigma0,
		const REAL	gaussianSigma1,
		const REAL	gaussianSigma2,
		const REAL	lorentzianGamma0,
		const REAL	lorentzianGamma1,
		const REAL	lorentzianGamma2
	)

Set reflection profile parameters.

Definition at line 649 of file ReflectionProfile.cpp.

void ObjCryst::ReflectionProfileDoubleExponentialPseudoVoigt::SetUnitCell

(

const UnitCell &

cell

)

Set unit cell.

This is used to compute d_hkl for reflections.

Definition at line 817 of file ReflectionProfile.cpp.

void ObjCryst::ReflectionProfileDoubleExponentialPseudoVoigt::XMLInput	(	istream &	is,
		const XMLCrystTag &	tag
	)			[virtual]

Input From stream.

Todo:

Add an bool XMLInputTag(is,tag) function to recognize all the tags from the stream. So that each inherited class can use the XMLInputTag function from its parent (ie take advantage of inheritance). The children class would first try to interpret the tag, then if unsuccessful would pass it to its parent (thus allowing overloading), etc...

Implements ObjCryst::ReflectionProfile.

Definition at line 780 of file ReflectionProfile.cpp.

void ObjCryst::ReflectionProfileDoubleExponentialPseudoVoigt::XMLOutput	(	ostream &	os,
		int	indent = 0
	)			const [virtual]

Output to stream in well-formed XML.

Todo:

Use inheritance.. as for XMLInputTag()...

Implements ObjCryst::ReflectionProfile.

Definition at line 734 of file ReflectionProfile.cpp.

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The documentation for this class was generated from the following files:

• ReflectionProfile.h
• ReflectionProfile.cpp