#include <PowderPattern.h>
Inheritance diagram for ObjCryst::PowderPatternBackground::
Public Methods | |
PowderPatternBackground () | |
PowderPatternBackground (const PowderPatternBackground &) | |
virtual | ~PowderPatternBackground () |
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. | |
virtual void | SetParentPowderPattern (const PowderPattern &) |
Set the PowderPattern object which uses this component. This sets all necessary spectrum parameters (2theta range, wavelength, radiation type...) accordingly. More... | |
virtual const CrystVector_REAL & | GetPowderPatternCalc () const |
Get the calculated powder spectrum for this component. Note that the spectrum is not scaled. | |
void | ImportUserBackground (const string &filename) |
Import background points from a file (with two columns 2theta, intensity). | |
virtual void | XMLOutput (ostream &os, int indent=0) const |
Output to stream in well-formed XML. More... | |
virtual void | XMLInput (istream &is, const XMLCrystTag &tag) |
Input From stream. More... | |
virtual void | GetGeneGroup (const RefinableObj &obj, CrystVector_uint &groupIndex, unsigned int &firstGroup) const |
Get the gene group assigned to each parameter. More... | |
Protected Methods | |
virtual void | CalcPowderPattern () const |
Calc the powder spectrum. As always, recomputation is only done if necessary (ie if a parameter has changed since the last computation). | |
virtual void | SetRadiation (const Radiation &rad) |
Set the radiation. This is called by PowderPattern. More... | |
virtual void | Prepare () |
This will be called by the parent PowderPattern object, before calculating the first powder spectrum. Or maybe it should be called automatically by the object itself... More... | |
virtual void | GetBraggLimits (CrystVector_long *&min, CrystVector_long *&max) const |
Get the integration limits (first and last pixels) around each reflection, if this component has Bragg reflections. Used for integrated R(w) factors. The limits currently go from -2*FWHM to +2*FWHM. returns a pointer to the min and max pixels arrays (null pointers if no reflection for this phase). | |
virtual void | SetMaxSinThetaOvLambda (const REAL max) |
Set the maximum value for sin(theta)/lambda. All data above still exist but are ignored for all calculations. | |
Protected Attributes | |
PowderBackgroundInterpType | mBackgroundType |
The kind of interpolation used. | |
int | mBackgroundNbPoint |
Number of fitting points for background. | |
CrystVector_REAL | mBackgroundInterpPoint2Theta |
Vector of 2theta values for the fitting points of the background. | |
CrystVector_REAL | mBackgroundInterpPointIntensity |
Values of background at interpolating points. | |
RefinableObjClock | mClockBackgroundPoint |
Modification of the interpolated points. | |
RefinableObjClock | mClockBackgroundSpline |
Last time Splines were generated. | |
REAL | mMaxSinThetaOvLambda |
Maximum sin(theta)/lambda for all calculations (10 by default). More... | |
Friends | |
class | PowderPattern |
|
Get the gene group assigned to each parameter. Each parameter (a gene in terms of genetic algorithms) can be assigned to a gene group. Thus when mating two configurations, genes will be exchanged by groups. By default (in the base RefinabeObj class), each parameter is alone in its group. Derived classes can group genes for a better s** life. The number identifying a gene group only has a meaning in a given object. It can also change on subsequent calls, and thus is not unique.
Reimplemented from ObjCryst::RefinableObj. |
|
This will be called by the parent PowderPattern object, before calculating the first powder spectrum. Or maybe it should be called automatically by the object itself...
For internal use only.
Reimplemented from ObjCryst::PowderPatternComponent. |
|
Set the PowderPattern object which uses this component. This sets all necessary spectrum parameters (2theta range, wavelength, radiation type...) accordingly.
For internal use only.
Reimplemented from ObjCryst::PowderPatternComponent. |
|
Set the radiation. This is called by PowderPattern.
For internal use only.
Reimplemented from ObjCryst::PowderPatternComponent. |
|
Input From stream.
Reimplemented from ObjCryst::RefinableObj. |
|
Output to stream in well-formed XML.
Reimplemented from ObjCryst::RefinableObj. |
|
Maximum sin(theta)/lambda for all calculations (10 by default). This keeps all data in memory, but only the part which is below the max is calculated. |