Inheritance diagram for ObjCryst::ReflectionProfilePseudoVoigt:
Public Member Functions | |
ReflectionProfilePseudoVoigt () | |
ReflectionProfilePseudoVoigt (const ReflectionProfilePseudoVoigt &old) | |
virtual | ~ReflectionProfilePseudoVoigt () |
virtual ReflectionProfilePseudoVoigt * | CreateCopy () const |
virtual const string & | GetClassName () const |
Name for this class ("RefinableObj", "Crystal",...). | |
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 fwhmCagliotiW, const REAL fwhmCagliotiU=0, const REAL fwhmCagliotiV=0, const REAL eta0=0.5, const REAL eta1=0.) |
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. | |
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. | |
Private Member Functions | |
void | InitParameters () |
Initialize parameters. | |
Private Attributes | |
REAL | mCagliotiU |
FWHM parameters, following Caglioti's law. | |
REAL | mCagliotiV |
FWHM parameters, following Caglioti's law. | |
REAL | mCagliotiW |
FWHM parameters, following Caglioti's law. | |
REAL | mPseudoVoigtEta0 |
Pseudo-Voigt mixing parameter : eta=eta0 +2*theta*eta1 eta=1 -> pure Lorentzian ; eta=0 -> pure Gaussian. | |
REAL | mPseudoVoigtEta1 |
Pseudo-Voigt mixing parameter : eta=eta0 +2*theta*eta1 eta=1 -> pure Lorentzian ; eta=0 -> pure Gaussian. | |
REAL | mAsymBerarBaldinozziA0 |
Asymmetry parameters, following the Bérar & Baldinozzi approach ( Bérar & baldinozzi, J. | |
REAL | mAsymBerarBaldinozziA1 |
Asymmetry parameters, following the Bérar & Baldinozzi approach ( Bérar & baldinozzi, J. | |
REAL | mAsymBerarBaldinozziB0 |
Asymmetry parameters, following the Bérar & Baldinozzi approach ( Bérar & baldinozzi, J. | |
REAL | mAsymBerarBaldinozziB1 |
Asymmetry parameters, following the Bérar & Baldinozzi approach ( Bérar & baldinozzi, J. | |
REAL | mAsym0 |
Asymmetry parameters, following the analytical function for asymmetric pseudo-voigt given by (e.g.) Toraya in J. | |
REAL | mAsym1 |
Asymmetry parameters, following the analytical function for asymmetric pseudo-voigt given by (e.g.) Toraya in J. | |
REAL | mAsym2 |
Asymmetry parameters, following the analytical function for asymmetric pseudo-voigt given by (e.g.) Toraya in J. |
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Implements ObjCryst::ReflectionProfile. |
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Name for this class ("RefinableObj", "Crystal",...). This is only useful to distinguish different classes when picking up objects from the RefinableObj Global Registry Reimplemented from ObjCryst::RefinableObj. |
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Get the (approximate) full profile width at a given percentage of the profile maximum (e.g. FWHM=GetFullProfileWidth(0.5)). Implements ObjCryst::ReflectionProfile. |
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Get the reflection profile.
Implements ObjCryst::ReflectionProfile. |
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Initialize parameters.
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Is the profile anisotropic ?
Reimplemented from ObjCryst::ReflectionProfile. |
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Set reflection profile parameters.
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Input From stream.
Implements ObjCryst::ReflectionProfile. |
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Output to stream in well-formed XML.
Implements ObjCryst::ReflectionProfile. |
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Asymmetry parameters, following the analytical function for asymmetric pseudo-voigt given by (e.g.) Toraya in J. Appl. Cryst 23(1990),485-491 |
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Asymmetry parameters, following the analytical function for asymmetric pseudo-voigt given by (e.g.) Toraya in J. Appl. Cryst 23(1990),485-491 |
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Asymmetry parameters, following the analytical function for asymmetric pseudo-voigt given by (e.g.) Toraya in J. Appl. Cryst 23(1990),485-491 |
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Asymmetry parameters, following the Bérar & Baldinozzi approach ( Bérar & baldinozzi, J. Appl. Cryst 26 (1993), 128-129)
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Asymmetry parameters, following the Bérar & Baldinozzi approach ( Bérar & baldinozzi, J. Appl. Cryst 26 (1993), 128-129)
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Asymmetry parameters, following the Bérar & Baldinozzi approach ( Bérar & baldinozzi, J. Appl. Cryst 26 (1993), 128-129)
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Asymmetry parameters, following the Bérar & Baldinozzi approach ( Bérar & baldinozzi, J. Appl. Cryst 26 (1993), 128-129)
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FWHM parameters, following Caglioti's law.
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FWHM parameters, following Caglioti's law.
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FWHM parameters, following Caglioti's law.
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Pseudo-Voigt mixing parameter : eta=eta0 +2*theta*eta1 eta=1 -> pure Lorentzian ; eta=0 -> pure Gaussian.
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Pseudo-Voigt mixing parameter : eta=eta0 +2*theta*eta1 eta=1 -> pure Lorentzian ; eta=0 -> pure Gaussian.
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