ObjCryst::Radiation Class Reference

Class to define the radiation (type, monochromaticity, wavelength(s)) of an experiment. More...

Inheritance diagram for ObjCryst::Radiation:

[legend]Collaboration diagram for ObjCryst::Radiation:

[legend]List of all members.

Public Member Functions
	Radiation ()
	Default constructor.
	Radiation (const RadiationType rad, const REAL wavelength)
	\ brief Constructor
	Radiation (const string &XRayTubeElementName, const REAL alpha2Alpha2ratio=0.5)
	\ brief Constructor for X-Ray tube radiation
	Radiation (const Radiation &)
	Copy constructor.
	~Radiation ()
virtual const string &	GetClassName () const
	Name for this class ("RefinableObj", "Crystal",...).
void	operator= (const Radiation &)
RadiationType	GetRadiationType () const
	Get the radiation type (X-Rays, Neutron).
void	SetRadiationType (const RadiationType)
	Set the radiation type (X-Rays, Neutron).
void	SetWavelengthType (const WavelengthType &type)
	Set the Wavelength type (monochromatic, Alpha1+Alpha2, Time Of Flight...).
WavelengthType	GetWavelengthType () const
	Get the Wavelength type (monochromatic, Alpha1+Alpha2, Time Of Flight...).
const CrystVector_REAL &	GetWavelength () const
	Get the wavelength(s) in Angstroems.
void	SetWavelength (const REAL)
	Set the (monochromatic) wavelength of the beam.
void	SetWavelength (const string &XRayTubeElementName, const REAL alpha2Alpha2ratio=0.5)
	\ brief Set X-Ray tube radiation.
REAL	GetXRayTubeDeltaLambda () const
	Get the wavelength difference for Alpha1 and Alpha2.
REAL	GetXRayTubeAlpha2Alpha1Ratio () const
	Get the Kalpha2/Kalpha1 ratio.
const RefinableObjClock &	GetClockWavelength () const
	Last time the wavelength has been changed.
const RefinableObjClock &	GetClockRadiation () const
	Last time the nature (X-Rays/Neutron, number of wavelengths)radiation has been changed.
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	Print () const
	Print to screen/console the charcteristics of the radiation.
REAL	GetLinearPolarRate () const
void	SetLinearPolarRate (const REAL f)
Private Member Functions
void	InitOptions ()
Private Attributes
RefObjOpt	mRadiationType
	Neutron ? X-Ray ? (Electron: unimplemented).
RefObjOpt	mWavelengthType
	monochromatic ? Alpha1 & Alpha2 ? Multi-Wavelength ?
CrystVector_REAL	mWavelength
	Wavelength of the Experiment, in Angstroems.
string	mXRayTubeName
	Name of the X-Ray tube used, if relevant.
REAL	mXRayTubeDeltaLambda
	Absolute difference between alpha1 and alpha2, in angstroems.
REAL	mXRayTubeAlpha2Alpha1Ratio
	Ratio alpha2/alpha1 (should be 0.5).
RefinableObjClock	mClockWavelength
RefinableObjClock	mClockRadiation
REAL	mLinearPolarRate
	Linear Polarization Rate (default:0, X-Ray tube unmonochromatized).

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Detailed Description

Class to define the radiation (type, monochromaticity, wavelength(s)) of an experiment.

This can be developped for more complex experiments, hence the vector of wavelengths (so far it is not possible to use several wavelengths, though).

X-Rays and Neutrons are available. Electrons are not available yet in ScatteringData classes.

Todo:

also add here information about the polarization of the beam.

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Constructor & Destructor Documentation

ObjCryst::Radiation::Radiation (   )

Default constructor.

ObjCryst::Radiation::Radiation (  const RadiationType  rad, const REAL  wavelength )

\ brief Constructor Parameters: rad  the RadiationType used (X-Rays, neutrons) wavelength  the wavelength (in Angstroems) of the monochromatic radiation.

ObjCryst::Radiation::Radiation (  const string &  XRayTubeElementName, const REAL  alpha2Alpha2ratio = 0.5 )

\ brief Constructor for X-Ray tube radiation Parameters: XRayTubeElementName  : name of the anticathode element name. Known ones are Cr, Fe, Cu, Mo, Ag. alpha2Alpha2ratio:  Kalpha2/Kalpha1 ratio (0.5 by default) the average wavelength is calculated using the alpha2/alpha1 weight. All structure factors computation are made using the average wavelength, and for powder diffraction, profiles are output at the alpha1 and alpha2 ratio for the calculated pattern. NOTE : if the name of the wavelength is generic (eg"Cu"), then the program considers that there are both Alpha1 and Alpha2, and thus automatically changes the WavelengthType to WAVELENGTH_ALPHA12. If instead either alpha1 or alpha2 (eg "CuA1") is asked for, the WavelengthType is set to WAVELENGTH_MONOCHROMATIC. In both cases, the radiation type is set to X-Ray.

ObjCryst::Radiation::Radiation (  const Radiation &   )

Copy constructor.

ObjCryst::Radiation::~Radiation (   )

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Member Function Documentation

virtual const string& ObjCryst::Radiation::GetClassName (   )  const [virtual]

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.

const RefinableObjClock& ObjCryst::Radiation::GetClockRadiation (   )  const

Last time the nature (X-Rays/Neutron, number of wavelengths)radiation has been changed.

const RefinableObjClock& ObjCryst::Radiation::GetClockWavelength (   )  const

Last time the wavelength has been changed.

REAL ObjCryst::Radiation::GetLinearPolarRate (   )  const

RadiationType ObjCryst::Radiation::GetRadiationType (   )  const

Get the radiation type (X-Rays, Neutron).

const CrystVector_REAL& ObjCryst::Radiation::GetWavelength (   )  const

Get the wavelength(s) in Angstroems. Currently only monochromatic is used, so the vector should only return only one wavelength.

WavelengthType ObjCryst::Radiation::GetWavelengthType (   )  const

Get the Wavelength type (monochromatic, Alpha1+Alpha2, Time Of Flight...).

REAL ObjCryst::Radiation::GetXRayTubeAlpha2Alpha1Ratio (   )  const

Get the Kalpha2/Kalpha1 ratio.

REAL ObjCryst::Radiation::GetXRayTubeDeltaLambda (   )  const

Get the wavelength difference for Alpha1 and Alpha2.

void ObjCryst::Radiation::InitOptions (   )  [private]

void ObjCryst::Radiation::operator= (  const Radiation &   )

void ObjCryst::Radiation::Print (   )  const [virtual]

Print to screen/console the charcteristics of the radiation. Reimplemented from ObjCryst::RefinableObj.

void ObjCryst::Radiation::SetLinearPolarRate (  const REAL  f  )

void ObjCryst::Radiation::SetRadiationType (  const  RadiationType  )

Set the radiation type (X-Rays, Neutron).

void ObjCryst::Radiation::SetWavelength (  const string &  XRayTubeElementName, const REAL  alpha2Alpha2ratio = 0.5 )

\ brief Set X-Ray tube radiation. Parameters: XRayTubeElementName  : name of the anticathode element name. Known ones are Cr, Fe, Cu, Mo, Ag. alpha2Alpha2ratio:  Kalpha2/Kalpha1 ratio (0.5 by default) the average wavelength is calculated using the alpha2/alpha1 weight. All structure factors computation are made using the average wavelength, and for powder diffraction, profiles are output at the alpha1 and alpha2 ratio for the calculated pattern. NOTE : if the name of the wavelength is generic (eg"Cu"), then the program considers that there are both Alpha1 and Alpha2, and thus automatically changes the WavelengthType to WAVELENGTH_ALPHA12. If instead either alpha1 or alpha2 (eg "CuA1") is asked for, the WavelengthType is set to WAVELENGTH_MONOCHROMATIC. In both cases, the radiation type is set to X-Ray.

void ObjCryst::Radiation::SetWavelength (  const  REAL  )

Set the (monochromatic) wavelength of the beam.

void ObjCryst::Radiation::SetWavelengthType (  const WavelengthType &  type  )

Set the Wavelength type (monochromatic, Alpha1+Alpha2, Time Of Flight...).

virtual void ObjCryst::Radiation::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... Reimplemented from ObjCryst::RefinableObj.

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

Output to stream in well-formed XML. Todo: Use inheritance.. as for XMLInputTag()... Reimplemented from ObjCryst::RefinableObj.

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Member Data Documentation

RefinableObjClock ObjCryst::Radiation::mClockRadiation [private]

RefinableObjClock ObjCryst::Radiation::mClockWavelength [private]

REAL ObjCryst::Radiation::mLinearPolarRate [private]

Linear Polarization Rate (default:0, X-Ray tube unmonochromatized).

RefObjOpt ObjCryst::Radiation::mRadiationType [private]

Neutron ? X-Ray ? (Electron: unimplemented).

CrystVector_REAL ObjCryst::Radiation::mWavelength [private]

Wavelength of the Experiment, in Angstroems.

RefObjOpt ObjCryst::Radiation::mWavelengthType [private]

monochromatic ? Alpha1 & Alpha2 ? Multi-Wavelength ?

REAL ObjCryst::Radiation::mXRayTubeAlpha2Alpha1Ratio [private]

Ratio alpha2/alpha1 (should be 0.5).

REAL ObjCryst::Radiation::mXRayTubeDeltaLambda [private]

Absolute difference between alpha1 and alpha2, in angstroems.

string ObjCryst::Radiation::mXRayTubeName [private]

Name of the X-Ray tube used, if relevant. ie "Cu", "Fe",etc... "CuA1" for Cu-alpha1, etc...

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

• ScatteringData.h

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