Inheritance diagram for ObjCryst::TextureMarchDollase:
Public Member Functions | |
TextureMarchDollase (const ScatteringData &data) | |
virtual | ~TextureMarchDollase () |
virtual const string & | GetName () const |
Get the name of this object. | |
virtual const string & | GetClassName () const |
Get the name of the class. | |
void | AddPhase (const REAL fraction, const REAL coeffMarch, const REAL h, const REAL k, const REAL l) |
void | SetPhasePar (const unsigned int i, const REAL fraction, const REAL coeffMarch, const REAL h, const REAL k, const REAL l) |
void | DeletePhase (const unsigned int i) |
unsigned int | GetNbPhase () const |
REAL | GetFraction (const unsigned int i) const |
REAL | GetMarchCoeff (const unsigned int i) const |
REAL | GetPhaseH (const unsigned int i) const |
REAL | GetPhaseK (const unsigned int i) const |
REAL | GetPhaseL (const unsigned int i) const |
virtual void | GlobalOptRandomMove (const REAL mutationAmplitude, const RefParType *type=gpRefParTypeObjCryst) |
Make a random move of the current configuration. | |
virtual REAL | GetBiasingCost () const |
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 | BeginOptimization (const bool allowApproximations=false, const bool enableRestraints=false) |
This should be called by any optimization class at the begining of an optimization. | |
virtual void | TagNewBestConfig () const |
During a global optimization, tells the object that the current config is the latest "best" config. | |
Protected Member Functions | |
virtual void | CalcCorr () const |
Do the computation of corrected intensities. | |
void | DeleteAllPhase () |
Protected Attributes | |
ObjRegistry< TexturePhaseMarchDollase > | mPhaseRegistry |
RefinableObjClock | mClockTexturePar |
unsigned long | mNbReflUsed |
Number of reflexion for which the calculation is actually done. |
This can include several phases.
|
|
|
|
|
|
|
This should be called by any optimization class at the begining of an optimization. This will also check that everything is ready, eg call the RefinableObj::Prepare() function. This also affects all sub-objects.
Reimplemented from ObjCryst::RefinableObj. |
|
Do the computation of corrected intensities.
Implements ObjCryst::ScatteringCorr. |
|
|
|
|
|
|
|
Get the name of the class.
Implements ObjCryst::ScatteringCorr. |
|
|
|
|
|
Get the name of this object.
Implements ObjCryst::ScatteringCorr. |
|
|
|
|
|
|
|
|
|
Make a random move of the current configuration. This is for global optimization algorithms. the moves for each parameter are less than their global optimization step, multiplied by the mutation amplitude.
Reimplemented from ObjCryst::RefinableObj. |
|
|
|
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. |
|
Input From stream.
Reimplemented from ObjCryst::RefinableObj. |
|
Output to stream in well-formed XML.
Reimplemented from ObjCryst::RefinableObj. |
|
|
|
Number of reflexion for which the calculation is actually done. This is automaticaly updated during CalcCorr, from the parent ScatteringData::GetMaxSinThetaOvLambda() |
|
|