ObjCryst::TextureMarchDollase Class Reference
Texture correction using the March-Dollase model. More...
Public Member Functions | |
| TextureMarchDollase (const ScatteringData &data) | |
| 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. | |
Detailed Description
Texture correction using the March-Dollase model.This can include several phases.
Definition at line 160 of file ScatteringCorr.h.
Member Function Documentation
| void ObjCryst::TextureMarchDollase::GlobalOptRandomMove | ( | const REAL | mutationAmplitude, | |
| const RefParType * | type = gpRefParTypeObjCryst | |||
| ) | [virtual] |
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.
- Warning:
- : this makes a random move for the parameter declared for this object, and it is the duty of the object to decide whether the included objects should be moved and how. (eg an algorithm should only call for a move with the top object, and this object decides how he and his sub-objects moves). By default (RefinableObj implementation) all included objects are moved recursively.
- Parameters:
-
mutationAmplitude,: multiplier for the maximum move amplitude, for all parameters type,: restrain the change exclusively to parameters of a given type (same type or descendant from this RefParType).
Reimplemented from ObjCryst::RefinableObj.
Definition at line 421 of file ScatteringCorr.cpp.
| void ObjCryst::TextureMarchDollase::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.
Definition at line 551 of file ScatteringCorr.cpp.
| void ObjCryst::TextureMarchDollase::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.
Definition at line 568 of file ScatteringCorr.cpp.
| void ObjCryst::TextureMarchDollase::BeginOptimization | ( | const bool | allowApproximations = false, |
|
| const bool | enableRestraints = false | |||
| ) | [virtual] |
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.
- Note:
- this may be called several time for some objects which are used by several other objects.
- Parameters:
-
allowApproximations,: if true, then the object can use faster but less precise functions during the optimization. This is useful for global optimization not using derivatives. enableRestraints,: if true, then restrained parameters will be allowed to go beyond theur hard limits. This implies that the algorithm will take into account the cost (penalty) related to the restraints. Objects which do not use restraints will simply ignore this. WARNING: this parameter may be removed with the new likelihood scheme.
Reimplemented from ObjCryst::RefinableObj.
Definition at line 591 of file ScatteringCorr.cpp.
| void ObjCryst::TextureMarchDollase::TagNewBestConfig | ( | ) | const [virtual] |
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.
Definition at line 615 of file ScatteringCorr.cpp.
Member Data Documentation
unsigned long ObjCryst::TextureMarchDollase::mNbReflUsed [mutable, protected] |
Number of reflexion for which the calculation is actually done.
This is automaticaly updated during CalcCorr, from the parent ScatteringData::GetMaxSinThetaOvLambda()
Definition at line 194 of file ScatteringCorr.h.
The documentation for this class was generated from the following files:
