Inheritance diagram for ObjCryst::PowderPatternBackground:
Public Methods | |
virtual const string & | GetClassName () const |
Name for this class ("RefinableObj", "Crystal",...). | |
virtual void | SetParentPowderPattern (const PowderPattern &) |
virtual const CrystVector_REAL & | GetPowderPatternCalc () const |
Get the calculated powder pattern for this component. | |
virtual pair< const CrystVector_REAL *, const RefinableObjClock * > | GetPowderPatternIntegratedCalc () const |
Get the integrated values of the powder pattern. | |
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. | |
virtual void | XMLInput (istream &is, const XMLCrystTag &tag) |
Input From stream. | |
virtual void | GetGeneGroup (const RefinableObj &obj, CrystVector_uint &groupIndex, unsigned int &firstGroup) const |
Get the gene group assigned to each parameter. | |
virtual const CrystVector_REAL & | GetPowderPatternCalcVariance () const |
Get the variance associated to each point of the calculated powder pattern, for this component. | |
virtual pair< const CrystVector_REAL *, const RefinableObjClock * > | GetPowderPatternIntegratedCalcVariance () const |
Get the variance associated to each point of the calculated powder pattern, for this component (integrated version). | |
virtual bool | HasPowderPatternCalcVariance () const |
Does this component have a variance associated with each calculated point ? i.e., do we use maximum likelihood to take into account incomplete models ? | |
virtual void | TagNewBestConfig () const |
During a global optimization, tells the object that the current config is the latest "best" config. | |
Protected Methods | |
virtual void | CalcPowderPattern () const |
Calc the powder pattern. | |
virtual void | CalcPowderPatternIntegrated () const |
Calc the integrated powder pattern. | |
virtual void | Prepare () |
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. | |
virtual void | SetMaxSinThetaOvLambda (const REAL max) |
Set the maximum value for sin(theta)/lambda. | |
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). | |
REAL | mModelVariance |
Constant error (sigma) on the calculated pattern, due to an incomplete model. | |
Friends | |
class | PowderPattern |
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Calc the powder pattern. As always, recomputation is only done if necessary (ie if a parameter has changed since the last computation) Implements ObjCryst::PowderPatternComponent. |
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Calc the integrated powder pattern. This should be optimized so that the full powder pattern is not explicitely computed. Implements ObjCryst::PowderPatternComponent. |
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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). Implements ObjCryst::PowderPatternComponent. |
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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::PowderPatternComponent. |
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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. |
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Get the calculated powder pattern for this component. Note that the pattern is not scaled. Implements ObjCryst::PowderPatternComponent. |
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Get the variance associated to each point of the calculated powder pattern, for this component. \warning: this is experimental, with the aim of using Maximum Likelihood to improve structure determination. Implements ObjCryst::PowderPatternComponent. |
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Get the integrated values of the powder pattern. \note: the integration intervals are those given by the parent PowderPattern, so that all PowderPatternComponent's intervals are taken into account This avoids explicitely calculating the full profile powder pattern. Implements ObjCryst::PowderPatternComponent. |
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Get the variance associated to each point of the calculated powder pattern, for this component (integrated version). \warning: this is experimental, with the aim of using Maximum Likelihood to improve structure determination. Implements ObjCryst::PowderPatternComponent. |
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For internal use only. This will be called by the parent PowderPattern object, before calculating the first powder pattern. Or maybe it should be called automatically by the object itself... Implements ObjCryst::PowderPatternComponent. |
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Set the maximum value for sin(theta)/lambda. All data above still exist but are ignored for all calculations. Implements ObjCryst::PowderPatternComponent. |
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For internal use only. Set the PowderPattern object which uses this component. This sets all necessary pattern parameters (2theta range, wavelength, radiation type...) accordingly. Implements ObjCryst::PowderPatternComponent. |
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During a global optimization, tells the object that the current config is the latest "best" config. This can be used by the object to make more intellingent random moves (use with caution: highly experimental !). Reimplemented from ObjCryst::RefinableObj. |
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Input From stream.
Reimplemented from ObjCryst::RefinableObj. |
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Output to stream in well-formed XML.
Reimplemented from ObjCryst::RefinableObj. |
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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. |