24 #ifndef _OBJCRYST_SCATTPOWERSPHERE_H_
25 #define _OBJCRYST_SCATTPOWERSPHERE_H_
27 #include "ObjCryst/CrystVector/CrystVector.h"
28 #include "ObjCryst/ObjCryst/ScatteringPower.h"
59 void Init(
const string &name,
const REAL radius,
const REAL bIso=1.0);
62 const int spgSymPosIndex=0)
const;
65 const int spgSymPosIndex=0)
const;
67 const int spgSymPosIndex=0)
const;
69 const int spgSymPosIndex=0)
const;
71 virtual void Print()
const;
72 virtual void XMLOutput(ostream &os,
int indent=0)
const;
75 virtual void InitRefParList();
virtual void XMLOutput(ostream &os, int indent=0) const
Output to stream in well-formed XML.
virtual const string & GetClassName() const
Name for this class ("RefinableObj", "Crystal",...).
virtual CrystVector_REAL GetTemperatureFactor(const ScatteringData &data, const int spgSymPosIndex=0) const
Get the temperature factor for all reflections of a given ScatteringData object.
virtual CrystMatrix_REAL GetResonantScattFactImag(const ScatteringData &data, const int spgSymPosIndex=0) const
Get the imaginary part of the resonant scattering factor.
Class to compute structure factors for a set of reflections and a Crystal.
ScatteringPowerSphere()
Default constructor.
virtual CrystVector_REAL GetScatteringFactor(const ScatteringData &data, const int spgSymPosIndex=0) const
Get the Scattering factor for all reflections of a given ScatteringData object.
Abstract base class for all objects in wxCryst.
\ brief ScatteringPower for a spherical particule
REAL mBiso
Isotropic temperature B-factor.
REAL GetRadius() const
Return the physical radius of this type of scatterer (for 3D display purposes).
virtual CrystMatrix_REAL GetResonantScattFactReal(const ScatteringData &data, const int spgSymPosIndex=0) const
Get the real part of the resonant scattering factor.
void Init()
Initialization of the object, used by all constructors, and operator=.
virtual void XMLInput(istream &is, const XMLCrystTag &tag)
Input From stream.
virtual REAL GetForwardScatteringFactor(const RadiationType) const
Get the scattering factor at (0,0,0).
The namespace which includes all objects (crystallographic and algorithmic) in ObjCryst++.
REAL mRadius
Radius of the sphere.
RadiationType
Type of radiation used.
class to input or output a well-formatted xml beginning or ending tag.
wxCryst class for ScatteringPowerSphere
Abstract Base Class to describe the scattering power of any Scatterer component in a crystal...