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ObjCryst::RefinableObj Class Reference

Generic Refinable Object. More...

#include <RefinableObj.h>

Inheritance diagram for ObjCryst::RefinableObj::

ObjCryst::Crystal ObjCryst::PowderPattern ObjCryst::PowderPatternComponent ObjCryst::Radiation ObjCryst::Scatterer ObjCryst::ScatteringData ObjCryst::ScatteringPower ObjCryst::PowderPatternBackground ObjCryst::PowderPatternDiffraction ObjCryst::Atom ObjCryst::ZScatterer ObjCryst::DiffractionDataSingleCrystal ObjCryst::PowderPatternDiffraction ObjCryst::GlobalScatteringPower ObjCryst::ScatteringPowerAtom List of all members.

Public Methods

 RefinableObj ()
 Constructor.

 RefinableObj (const RefinableObj &old)
 Copy Constructor.

virtual ~RefinableObj ()
 Destructor.

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 const string & GetName () const
 Name of the object.

virtual void SetName (const string &name)
 Name of the object.

void operator= (const RefinableObj &old)
 Making copies... This does not copy saved RefParSets.

void PrepareForRefinement () const
 Find which parameters are used and not fixed, for a refinement /optimization. This must be called before any refinement...

void FixAllPar ()
 Fix All parameters.

void UnFixAllPar ()
 UnFix All parameters.

void SetParIsFixed (const long parIndex, const bool fix)
 Fix/un-fix one parameter from its #.

void SetParIsFixed (const string &parName, const bool fix)
 Fix/un-fix one parameter from its name.

void SetParIsFixed (const RefParType *type, const bool fix)
 Fix/un-fix one family of parameters.

void SetParIsUsed (const string &parName, const bool use)
 Set whether a parameter is used.

void SetParIsUsed (const RefParType *type, const bool use)
 Set whether a family of parameters is used.

long GetNbPar () const
 Total number of refinable parameter in the object. Note that some may be actually fixed or even not used !! For refinement use PrepareForRefinement(), NbRefParNotFixed(), and ParNotFixed(i).

long GetNbParNotFixed () const
 Total number of non-fixed parameters. Is initialized by PrepareForRefinement().

RefinableParGetPar (const long i)
 Access all parameters in the order they were inputted.

const RefinableParGetPar (const long i) const
 Access all parameters in the order they were inputted.

RefinableParGetPar (const string &name)
 Access all parameters from their name.

const RefinableParGetPar (const string &name) const
 Access all parameters from their name.

RefinableParGetPar (const double *)
 Access parameter from its adress.

const RefinableParGetPar (const double *) const
 Access parameter from its adress.

RefinableParGetParNotFixed (const long i)
 Access all parameters in the order they were inputted, skipping fixed parameters. Must call PrepareForRefinement() before !

const RefinableParGetParNotFixed (const long i) const
 Access all parameters in the order they were inputed, skipping fixed parameters. Must call PrepareForRefinement() before !

void AddPar (const RefinablePar &newRefPar)
void AddPar (const RefinableObj &newRefParList)
virtual void Print () const
long CreateParamSet (const string name="") const
 Save the current set of refined values in a new set. More...

void SaveParamSet (const long id) const
 Save the current set of refined values over a previously-created set of saved values. More...

void RestoreParamSet (const long id)
 Restore a saved set of values. More...

const CrystVector_double & GetParamSet (const long setId) const
 Access one save refpar set. More...

double GetParamSet_ParNotFixedHumanValue (const long setId, const long parNumber) const
 Access the (human) value of one refined parameter in a saved set of parameters. More...

const void EraseAllParamSet ()
 Erase all saved refpar sets.

void SetLimitsAbsolute (const string &parName, const double min, const double max)
 Change the limits for a given parameter, giving absolute new limits.

void SetLimitsAbsolute (const RefParType *type, const double min, const double max)
 Change the limits for a category of parameters, giving absolute new limits.

void SetLimitsRelative (const string &parName, const double min, const double max)
 Change the limits for a given parameter, giving relative new limits (eg giving -.1 and +.1 will set new limits at the current value + min and current value + max) Thus min should logically be <0 and max >0.

void SetLimitsRelative (const RefParType *type, const double min, const double max)
 Change the limits for a category of parameters, giving relative new limits (eg giving -.1 and +.1 will set new limits at the current value + min and current value + max). Thus min should logically be <0 and max >0.

void SetLimitsProportional (const string &parName, const double min, const double max)
 Change the limits for a given parameter, proportionnaly to the current value. min should be < 1. and max > 1.

void SetLimitsProportional (const RefParType *type, const double min, const double max)
 Change the limits for a category of parameters, proportionnaly to their current value. min should be < 1. and max > 1.

ObjRegistry< RefinableObj > & GetSubObjRegistry ()
 Access to the registry of RefinableObj used by this object.

const ObjRegistry< RefinableObj > & GetSubObjRegistry () const
 Access to the registry of RefinableObj used by this object.

virtual void RegisterClient (RefinableObj &) const
 Register a new object using this object. More...

virtual void DeRegisterClient (RefinableObj &) const
 Deregister an object (which not any more) using this object.

bool IsBeingRefined () const
 Is the object being refined ? (Can be refined by one algorithm at a time only.).

virtual void BeginOptimization ()
 This should be called by any optimization class at the begining of an optimization. More...

virtual void EndOptimization ()
 This should be called by any optimization class at the begining of an optimization. More...

virtual void RandomizeConfiguration ()
 Randomize Configuration (before a global optimization). This Affects only parameters which are limited and not fixed. The randomization also affects all sub-objects (recursive).

virtual void GlobalOptRandomMove (const double mutationAmplitude)
 Make a random move of the current configuration. More...

virtual unsigned int GetNbCostFunction () const
 Number of Cost functions.

virtual const string & GetCostFunctionName (const unsigned int) const
 Get a Cost function name from its id#.

virtual const string & GetCostFunctionDescription (const unsigned int) const
 Get the (short) description of a cost function.

virtual double GetCostFunctionValue (const unsigned int)
 Get the current value of a cost function this should be const...

void ResetParList ()
 Re-init the list of refinable parameters, removing all parameters. This should never be used...

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 UpdateDisplay () const
 If there is an interface, this should be automatically be called each time there is a 'new, significant' configuration to report.

unsigned int GetNbOption () const
 Number of Options for this object.

RefObjOptGetOption (const unsigned int i)
 Access to the options.

const RefObjOptGetOption (const unsigned int i) const
 const access to the options.


Protected Methods

long FindPar (const string &name) const
 Find a refinable parameter with a given name.

long FindPar (const double *) const
 Find a refinable parameter from the adress of its value.

void AddSubRefObj (RefinableObj &)
  Add an object in the registry of used objects.

void RemoveSubRefObj (RefinableObj &)
  Remove an object in the registry of used objects.

void InitRandomSeedFromTime () const
  Init the seed for random number generation from current time.

void AddOption (RefObjOpt *opt)
  Add an option for this parameter.

virtual void Prepare ()
  Prepare everything (if necessary) for an optimization/calculation.


Protected Attributes

string mName
 Name for this RefinableObject. Should be unique, at least in the same scope.+.

RefinablePar ** mpRefPar
 Array of refinable parameters.

long mNbRefPar
 Number of refinable parameters.

long mMaxNbRefPar
 Maximum number of refinable parameters (array size-dynamically allocated).

CrystVector_double ** mpSavedValuesSet
 Array of pointers to arrays used to save sets of values for all parameters.

string ** mpSavedValuesSetName
 Names associated to the saved values sets.

CrystVector_bool mSavedValuesSetIsUsed
 Is the set associated with (id) currently used ?

long mNbRefParNotFixed
 Total of not-fixed parameters.

CrystVector_long mRefparNotFixedIndex
 Index of not-fixed parameters.

bool mIsbeingRefined
 Is the object being refined ?

ObjRegistry< RefinableObj > mSubObjRegistry
 Registry of RefinableObject needed for this object (owned by this object or not).

ObjRegistry< RefinableObj > mClientObjRegistry
 Registry of RefinableObject using this object. This is mutable so that client can modify it (kludge?).

ObjRegistry< RefObjOptmOptionRegistry
 List of options for this object. Note that these are just references, to options allocated by the object, to have a simple global access to all options.


Static Protected Attributes

const int mMaxNbSavedSets = 1000
 Max number of saved sets (memory is dynamically allocated...).


Detailed Description

Generic Refinable Object.

This is basically a list of refinable parameters, with other basic common properties such as a name,. etc... This allows optimization/refinement algorithms to access the parameters without knowing what the object really is.

Todo:
Define more clearly which operations are recursive (ie also modify sub-objects).


Member Function Documentation

virtual void BeginOptimization   [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.

long CreateParamSet const string    name = "" const
 

Save the current set of refined values in a new set.

Parameters:
name  : the name associated to this set of values. Names should be unique.
Returns:
an number identifying the set of saved values.

virtual void EndOptimization   [virtual]
 

This should be called by any optimization class at the begining of an optimization.

This also affects all sub-objects.

Note:
this may be called several time for some objects which are used by several other objects.

const CrystVector_double& GetParamSet const long    setId const
 

Access one save refpar set.

Parameters:
setId  : the number identifying the set.

double GetParamSet_ParNotFixedHumanValue const long    setId,
const long    parNumber
const
 

Access the (human) value of one refined parameter in a saved set of parameters.

Parameters:
setId  : the number identifying the set.
parNumber  : the number identifying the parameter in the list of refined parameters
Returns:
if parNumber=5 and setId=37, then the returned value will be the value (scaled if it is an angle) value of the 5th not-fixed parameter in the saved set #37.

virtual void GlobalOptRandomMove const double    mutationAmplitude [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.

RefinableObj::

Parameters:
mutationAmplitude:  multiplier for the maximum move amplitude, for all parameters

Reimplemented in ObjCryst::Crystal.

virtual void RegisterClient RefinableObj &    const [virtual]
 

Register a new object using this object.

Todo:
: the clients should be const, but are not... This need to be fixed...

void RestoreParamSet const long    id
 

Restore a saved set of values.

Parameters:
id  : the number identifying the set.
Warning:
this only affects parameters which are used and not fixed. Others remain unchanged.

void SaveParamSet const long    id const
 

Save the current set of refined values over a previously-created set of saved values.

Parameters:
id  the number identifying the set of saved values.

virtual void 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 in ObjCryst::Atom, ObjCryst::Crystal, ObjCryst::DiffractionDataSingleCrystal, ObjCryst::PowderPatternBackground, ObjCryst::PowderPatternDiffraction, ObjCryst::PowderPattern, ObjCryst::Radiation, ObjCryst::ScatteringPowerAtom, and ObjCryst::ZScatterer.

virtual void XMLOutput ostream &    os,
int    indent = 0
const [virtual]
 

Output to stream in well-formed XML.

Todo:
Use inheritance.. as for XMLInputTag()...

Reimplemented in ObjCryst::Atom, ObjCryst::Crystal, ObjCryst::DiffractionDataSingleCrystal, ObjCryst::PowderPatternBackground, ObjCryst::PowderPatternDiffraction, ObjCryst::PowderPattern, ObjCryst::Radiation, ObjCryst::ScatteringPowerAtom, and ObjCryst::ZScatterer.


The documentation for this class was generated from the following file:
Generated on Wed Nov 14 19:48:37 2001 for ObjCryst++ by doxygen1.2.11.1 written by Dimitri van Heesch, © 1997-2001