FOX/ObjCryst++  1.10.X (development)
ObjCryst::Atom Class Reference

The basic atom scatterer, in a crystal. More...

+ Inheritance diagram for ObjCryst::Atom:
+ Collaboration diagram for ObjCryst::Atom:

Public Member Functions

 Atom ()
 Default constructor. More...
 
 Atom (const REAL x, const REAL y, const REAL z, const string &name, const ScatteringPower *pow)
 Atom constructor. More...
 
 Atom (const REAL x, const REAL y, const REAL z, const string &name, const ScatteringPower *pow, const REAL popu)
 Atom constructor. More...
 
 Atom (const Atom &old)
 Copy constructor.
 
virtual AtomCreateCopy () const
 
 ~Atom ()
 Destructor...
 
virtual const string & GetClassName () const
 Name for this class ("RefinableObj", "Crystal",...). More...
 
virtual void operator= (const Atom &rhs)
 
void Init (const REAL x, const REAL y, const REAL z, const string &name, const ScatteringPower *pow, const REAL popu=1)
 initialize the atom (used for arrays of atoms). More...
 
virtual int GetNbComponent () const
 Number of components in the scatterer (eg number of point scatterers)
 
virtual const
ScatteringComponentList
GetScatteringComponentList () const
 Get the list of all scattering components for this scatterer. More...
 
virtual string GetComponentName (const int i) const
 Name for the i-th component of this scatterer. More...
 
virtual void Print () const
 Print some info about the scatterer (ideally this should be one line...).
 
REAL GetMass () const
 Returns the molar mass of the atom. More...
 
REAL GetRadius () const
 Returns the radius (in Angstroems) of the atom. More...
 
virtual ostream & POVRayDescription (ostream &os, const CrystalPOVRayOptions &options) const
 XMLOutput a description of the scatterer for POVRay. More...
 
virtual void GLInitDisplayList (const bool onlyIndependentAtoms=false, const REAL xMin=-.1, const REAL xMax=1.1, const REAL yMin=-.1, const REAL yMax=1.1, const REAL zMin=-.1, const REAL zMax=1.1, const bool displayEnantiomer=false, const bool displayNames=false, const bool hideHydrogens=false) const
 
bool IsDummy () const
 Is this a dummy atom ? (ie no ScatteringPower) Dummy atoms should not exist !
 
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...
 
const ScatteringPowerGetScatteringPower () const
 Get the ScatteringPowerAtom corresponding to this atom.
 
virtual void GetGeneGroup (const RefinableObj &obj, CrystVector_uint &groupIndex, unsigned int &firstGroup) const
 Get the gene group assigned to each parameter. More...
 
- Public Member Functions inherited from ObjCryst::Scatterer
 Scatterer ()
 Constructor.
 
 Scatterer (const Scatterer &old)
 Copy Constructor.
 
virtual ~Scatterer ()
 Destructor.
 
REAL GetX () const
 X coordinate (fractionnal) of the scatterer (for complex scatterers, this corresponds to the position of one atom of the Scatterer, ideally it should be near the center of the Scatterer. More...
 
REAL GetY () const
 Y coordinate (fractionnal) of the scatterer (for complex scatterers, this corresponds to the position of one atom of the Scatterer, ideally it should be near the center of the Scatterer. More...
 
REAL GetZ () const
 Z coordinate (fractionnal) of the scatterer (for complex scatterers, this corresponds to the position of one atom of the Scatterer, ideally it should be near the center of the Scatterer. More...
 
REAL GetOccupancy () const
 Get the occupancy of the scatterer (0. More...
 
virtual void SetX (const REAL x)
 X coordinate (fractionnal) of the scatterer (for complex scatterers, this corresponds to the position of one atom of the Scatterer, ideally it should be near the center of the Scatterer. More...
 
virtual void SetY (const REAL y)
 Y coordinate (fractionnal) of the scatterer (for complex scatterers, this corresponds to the position of one atom of the Scatterer, ideally it should be near the center of the Scatterer. More...
 
virtual void SetZ (const REAL z)
 Z coordinate (fractionnal) of the scatterer (for complex scatterers, this corresponds to the position of one atom of the Scatterer, ideally it should be near the center of the Scatterer. More...
 
virtual void SetOccupancy (const REAL occupancy)
 Change the occupancy of the scatterer (0. More...
 
 operator string () const
 Conversion function. More...
 
virtual const string & GetColour () const
 Colour associated to this scatterer (using POVRay names) More...
 
virtual const float * GetColourRGB () const
 Colour associated to this scatterer, 3 RGB Coordinates.
 
const RefinableObjClockGetClockScatterer () const
 Last time anything in the scatterer was changed (atoms, positions, scattering power)
 
RefinableObjClockGetClockScatterer ()
 Last time anything in the scatterer was changed (atoms, positions, scattering power)
 
void SetCrystal (Crystal &)
 Set the crystal in which is included this Scatterer.
 
const CrystalGetCrystal () const
 In which crystal is this Scatterer included ?
 
CrystalGetCrystal ()
 In which crystal is this Scatterer included ?
 
- Public Member Functions inherited from ObjCryst::RefinableObj
 RefinableObj ()
 Constructor.
 
 RefinableObj (const bool internalUseOnly)
 Constructor. More...
 
 RefinableObj (const RefinableObj &old)
 Defined not implemented... More...
 
virtual ~RefinableObj ()
 Destructor.
 
virtual const string & GetName () const
 Name of the object.
 
virtual void SetName (const string &name)
 Name of the object.
 
void operator= (const RefinableObj &old)
 Defined not implemented... More...
 
void PrepareForRefinement () const
 Find which parameters are used and not fixed, for a refinement /optimization. More...
 
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. More...
 
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 REAL *)
 Access parameter from its adress.
 
const RefinableParGetPar (const REAL *) const
 Access parameter from its adress.
 
RefinableParGetParNotFixed (const long i)
 Access all parameters in the order they were inputted, skipping fixed parameters. More...
 
const RefinableParGetParNotFixed (const long i) const
 Access all parameters in the order they were inputed, skipping fixed parameters. More...
 
void AddPar (const RefinablePar &newRefPar)
 Add a refinable parameter. More...
 
void AddPar (RefinablePar *newRefPar)
 Add a refinable parameter. More...
 
void AddPar (RefinableObj &newRefParList, const bool copyParam=false)
 Add all the parameters in another RefinableObj. More...
 
vector< RefinablePar * >::iterator RemovePar (RefinablePar *refPar)
 Remove a refinable parameter. More...
 
unsigned long CreateParamSet (const string name="") const
 Save the current set of refined values in a new set. More...
 
void ClearParamSet (const unsigned long id) const
 Erase the param set with the given id, releasing memory.
 
void SaveParamSet (const unsigned long id) const
 Save the current set of refined values over a previously-created set of saved values. More...
 
void RestoreParamSet (const unsigned long id)
 Restore a saved set of values. More...
 
const CrystVector_REAL & GetParamSet (const unsigned long setId) const
 Access one save refpar set. More...
 
CrystVector_REAL & GetParamSet (const unsigned long setId)
 Access one save refpar set. More...
 
REAL GetParamSet_ParNotFixedHumanValue (const unsigned 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. More...
 
const string & GetParamSetName (const unsigned long setId) const
 Get the name associated to a refpar set. More...
 
void SetLimitsAbsolute (const string &parName, const REAL min, const REAL max)
 Change the limits for a given parameter, giving absolute new limits.
 
void SetLimitsAbsolute (const RefParType *type, const REAL min, const REAL max)
 Change the limits for a category of parameters, giving absolute new limits.
 
void SetLimitsRelative (const string &parName, const REAL min, const REAL 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. More...
 
void SetLimitsRelative (const RefParType *type, const REAL min, const REAL 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). More...
 
void SetLimitsProportional (const string &parName, const REAL min, const REAL max)
 Change the limits for a given parameter, proportionnaly to the current value. More...
 
void SetLimitsProportional (const RefParType *type, const REAL min, const REAL max)
 Change the limits for a category of parameters, proportionnaly to their current value. More...
 
void SetGlobalOptimStep (const RefParType *type, const REAL step)
 Change the maximum step to use during Global Optimization algorithms.
 
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.
 
virtual const ObjRegistry
< RefinableObj > & 
GetClientRegistry () const
 Get the list of clients.
 
virtual ObjRegistry
< RefinableObj > & 
GetClientRegistry ()
 Get the list of clients.
 
bool IsBeingRefined () const
 Is the object being refined ? (Can be refined by one algorithm at a time only.)
 
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. More...
 
virtual void EndOptimization ()
 This should be called by any optimization class at the end of an optimization. More...
 
virtual void SetApproximationFlag (const bool allow)
 Enable or disable numerical approximations. More...
 
virtual void RandomizeConfiguration ()
 Randomize Configuration (before a global optimization). More...
 
virtual void GlobalOptRandomMove (const REAL mutationAmplitude, const RefParType *type=gpRefParTypeObjCryst)
 Make a random move of the current configuration. More...
 
void BeginGlobalOptRandomMove ()
 Raise a flag, to be sure not to make a random change more than once in each RefinableObj. More...
 
virtual REAL GetLogLikelihood () const
 Get -log(likelihood) of the current configuration for the object. More...
 
virtual unsigned int GetNbLSQFunction () const
 Number of LSQ functions.
 
virtual const CrystVector_REAL & GetLSQCalc (const unsigned int) const
 Get the current calculated value for the LSQ function.
 
virtual const CrystVector_REAL & GetLSQObs (const unsigned int) const
 Get the observed values for the LSQ function.
 
virtual const CrystVector_REAL & GetLSQWeight (const unsigned int) const
 Get the weight values for the LSQ function.
 
virtual const CrystVector_REAL & GetLSQDeriv (const unsigned int, RefinablePar &)
 Get the first derivative values for the LSQ function, for a given parameter. More...
 
virtual std::map< RefinablePar
*, CrystVector_REAL > & 
GetLSQ_FullDeriv (const unsigned int, std::set< RefinablePar * > &vPar)
 Get the first derivative for the LSQ function for each parameter supplied in a list. More...
 
void ResetParList ()
 Re-init the list of refinable parameters, removing all parameters. 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. More...
 
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
 
void SetDeleteRefParInDestructor (const bool b)
 Set this object not to delete its list of parameters when destroyed. More...
 
const RefinableObjClockGetRefParListClock () const
 What was the last time a RefinablePar was added/removed ? More...
 
virtual REAL GetRestraintCost () const
 Get the restraint cost (overall penalty of all restraints) More...
 
void AddRestraint (Restraint *pNewRestraint)
 Add a new restraint. More...
 
vector< Restraint * >::iterator RemoveRestraint (Restraint *pRestraint)
 Remove a restraint from the list of known restraints. More...
 
virtual void TagNewBestConfig () const
 During a global optimization, tells the object that the current config is the latest "best" config. More...
 
const RefinableObjClockGetClockMaster () const
 This clocks records any change in the object. See refinableObj::mClockMaster.
 

Private Member Functions

virtual void InitRefParList ()
 Prepare refinable parameters for the scatterer object.
 

Private Attributes

ScatteringComponentList mScattCompList
 The list of scattering components.
 
const ScatteringPowermpScattPowAtom
 The ScatteringPowerAtom associated to that atom.
 

Additional Inherited Members

- Protected Member Functions inherited from ObjCryst::Scatterer
virtual void InitRGBColour ()
 Get RGB Colour coordinates from Colour Name. More...
 
const RefinableObjClockGetClockScattCompList () const
 Last time the ScatteringComponentList was generated.
 
- Protected Member Functions inherited from ObjCryst::RefinableObj
long FindPar (const string &name) const
 Find a refinable parameter with a given name.
 
long FindPar (const REAL *) const
 Find a refinable parameter from the adress of its value.
 
void AddSubRefObj (RefinableObj &)
 
void RemoveSubRefObj (RefinableObj &)
 
void AddOption (RefObjOpt *opt)
 
virtual void Prepare ()
 
map< unsigned long, pair
< CrystVector_REAL, string >
>::iterator 
FindParamSet (unsigned long id) const
 Find a parameter set with a given id (and check if it is there)
 
- Protected Attributes inherited from ObjCryst::Scatterer
CrystVector_REAL mXYZ
 coordinates of the scatterer (or of its center..)
 
REAL mOccupancy
 Occupancy : 0 <= occ <= 1 For a multi-atom scatterer (polyhedron,..), this is the overall occupancy of the scatterer (affects all components of the scatterer).
 
string mColourName
 Colour for this scatterer (from POVRay)
 
float mColourRGB [3]
 Colour for this scatterer using RGB.
 
RefinableObjClock mClockScatterer
 Last time anything (number of atoms, positions, scattering power) was changed.
 
RefinableObjClock mClockScattCompList
 
CrystalmpCryst
 The crystal in which the Scatterer is This is needed so that we can know which scattering powers are available in the crystal, and also to convert fractionnal to orthonormal coordinates (for some scatterers only). More...
 
- Protected Attributes inherited from ObjCryst::RefinableObj
string mName
 Name for this RefinableObject. Should be unique, at least in the same scope.+.
 
vector< RefinablePar * > mvpRefPar
 Vector of pointers to the refinable parameters.
 
vector< Restraint * > mvpRestraint
 Vector of pointers to the restraints for this object. More...
 
map< unsigned long, pair
< CrystVector_REAL, string > > 
mvpSavedValuesSet
 Map of (index,pointers to arrays) used to save sets of values for all parameters. More...
 
long mNbRefParNotFixed
 Total of not-fixed parameters.
 
CrystVector_long mRefparNotFixedIndex
 Index of not-fixed parameters.
 
int mOptimizationDepth
 Is the object being refined or optimized ? if mOptimizationDepth=0, no optimization is taking place. More...
 
ObjRegistry< RefinableObjmSubObjRegistry
 Registry of RefinableObject needed for this object (owned by this object or not)
 
ObjRegistry< RefinableObjmClientObjRegistry
 Registry of RefinableObject using this object. More...
 
ObjRegistry< RefObjOptmOptionRegistry
 List of options for this object. More...
 
bool mDeleteRefParInDestructor
 If true (the default), then all RefinablePar will be deleted when the the object is deleted. More...
 
RefinableObjClock mRefParListClock
 Last time the RefinableParList was modified (a parameter added or removed).
 
bool mRandomMoveIsDone
 
CrystVector_REAL mLSQDeriv
 Temporary array used to return derivative values of the LSQ function for given parameters. More...
 
std::map< unsigned int,
std::map< RefinablePar
*, CrystVector_REAL > > 
mLSQ_FullDeriv
 Temporary map to return the derivative of the LSQ function versus a list of parameters. More...
 
RefinableObjClock mClockMaster
 Master clock, which is changed whenever the object has been altered. More...
 

Detailed Description

The basic atom scatterer, in a crystal.

This class records the position of the atom, and has a pointer to its ScatteringPowerAtom.

Note
there can be 'Dummy' atoms, for which the used symbol is "X", and which have no scattering power (use with caution: dummy atoms are only supposed to be used within ZScatterer)

Definition at line 57 of file Atom.h.

Constructor & Destructor Documentation

ObjCryst::Atom::Atom ( )

Default constructor.

The Atom must be initialized thereafter using Atom::Init()

Definition at line 57 of file Atom.cpp.

ObjCryst::Atom::Atom ( const REAL  x,
const REAL  y,
const REAL  z,
const string &  name,
const ScatteringPower pow 
)

Atom constructor.

Parameters
x,y,z: fractional coordinates of the atom
pow: the ScatteringPower associated to this atom. Must be allocated separately.
name: name of the atom ('Ta1','Sm2', 'Tungsten_1'...). The name can have any format but spaces should be avoided.

Definition at line 65 of file Atom.cpp.

ObjCryst::Atom::Atom ( const REAL  x,
const REAL  y,
const REAL  z,
const string &  name,
const ScatteringPower pow,
const REAL  popu 
)

Atom constructor.

Parameters
x,y,z: fractional coordinates of the atom
popu: the population of the atom (0.0->1.0) This should take into account the multiplicity of the atom. For an atom in group P2 and on the 2 axis, this should be set to 0.5, unless you are using the dynamical occupancy correction (recommended for global optimizations). See Crystal::CalcDynPopCorr() and Crystal::mUseDynPopCorr
pow: the ScatteringPower associated to this atom. Must be allocated separatly.
name: name of the atom ('Ta1','Sm2', 'Tungsten_1'...). The name can have any format but spaces should be avoided (just a precaution)

Definition at line 73 of file Atom.cpp.

Member Function Documentation

Atom * ObjCryst::Atom::CreateCopy ( ) const
virtual

so-called Virtual copy constructor, needed to make copies of arrays of Scatterers

Implements ObjCryst::Scatterer.

Definition at line 95 of file Atom.cpp.

const string & ObjCryst::Atom::GetClassName ( ) const
virtual

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::Scatterer.

Definition at line 107 of file Atom.cpp.

string ObjCryst::Atom::GetComponentName ( const int  i) const
virtual

Name for the i-th component of this scatterer.

If the component is an Atom, Then the name is that of the atom. Else, it is the name of the scatterer plus the component number in the scatterer plus the name of the ScatteringPower.

Note
It would be better to return a reference, but we don't want to keep a name for all components... Weeelll, needs some more thinking... see what performance hit results (if any).
Bug:
does not take into account dummy atoms !!

Implements ObjCryst::Scatterer.

Definition at line 166 of file Atom.cpp.

void ObjCryst::Atom::GetGeneGroup ( const RefinableObj obj,
CrystVector_uint &  groupIndex,
unsigned int &  firstGroup 
) const
virtual

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.

Parameters
objthe , supplied by an algorithm class (OptimizationObj,..), which contains a list of parameters, some of which (but possibly all or none) are parameters belonging to this object.
groupIndexa vector of unsigned integers, one for each parameter in the input object, giving an unsigned integer value as gene group index. At the beginning this vector should contain only zeros (no group assigned).
firstGroupthis is the number of groups which have already been assigned, plus one. The gene groups returned by this object will start from this value, and increment firstGroup for each gene group used, so that different RefinableObj cannot share a gene group.
Note
this function is not optimized, and should only be called at the beginning of a refinement.

Reimplemented from ObjCryst::RefinableObj.

Definition at line 473 of file Atom.cpp.

REAL ObjCryst::Atom::GetMass ( ) const

Returns the molar mass of the atom.

Values are extracted from the 'atominfo' package, which uses data from the CRC Handbook of Chemistry & Physics, 63rd & 70th editions The Mass is actually extracted from the ScatteringPowerAtom.

Definition at line 187 of file Atom.cpp.

REAL ObjCryst::Atom::GetRadius ( ) const

Returns the radius (in Angstroems) of the atom.

Values are extracted from the 'atominfo' package, which uses data from the ICSD/CRYSTIN Manual The Radius is extracted from the ScatteringPowerAtom.

Definition at line 193 of file Atom.cpp.

const ScatteringComponentList & ObjCryst::Atom::GetScatteringComponentList ( ) const
virtual

Get the list of all scattering components for this scatterer.

This is the most important function of this class, giving the list of scattering positions along with the associated ScatteringPower.

Implements ObjCryst::Scatterer.

Definition at line 156 of file Atom.cpp.

void ObjCryst::Atom::GLInitDisplayList ( const bool  noSymmetrics = false,
const REAL  xMin = -.1,
const REAL  xMax = 1.1,
const REAL  yMin = -.1,
const REAL  yMax = 1.1,
const REAL  zMin = -.1,
const REAL  zMax = 1.1,
const bool  displayEnantiomer = false,
const bool  displayNames = false,
const bool  hideHydrogens = false 
) const
virtual

Create an OpenGL Display List of the scatterer. This should only be called by a Crystal object.

Parameters
noSymmetricsif false (the default), then all symmetrics are shown in the 3D display, within the limits defined by the min/max parameters \ param xMin,xMax,yMin,yMax,zMin,zMax: in fractionnal coordinates, the region in which we want scaterrer to be displayed. The test is made on the center of the scatterer (eg a ZScatterer (molecule) will not be 'cut' on the border).
displayNamesif true, only the names of the scatterers will be displayed, at the position of the scatterers (to actually see them, they will have to be translated with respect to the drawing of the scatterers).
hideHydrogensif true, do not display hydrogens/deuterium and their bonds

Implements ObjCryst::Scatterer.

Definition at line 293 of file Atom.cpp.

void ObjCryst::Atom::Init ( const REAL  x,
const REAL  y,
const REAL  z,
const string &  name,
const ScatteringPower pow,
const REAL  popu = 1 
)

initialize the atom (used for arrays of atoms).

Parameters
x,y,z: fractional coordinates of the atom
pow: the ScatteringPower associated to this atom. Must be allocated separately.
name: name of the atom ('Ta1','Sm2', 'Tungsten_1'...).

Definition at line 129 of file Atom.cpp.

ostream & ObjCryst::Atom::POVRayDescription ( ostream &  os,
const CrystalPOVRayOptions options 
) const
virtual

XMLOutput a description of the scatterer for POVRay.

Implements ObjCryst::Scatterer.

Definition at line 199 of file Atom.cpp.

void ObjCryst::Atom::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 454 of file ObjCryst/IO.cpp.

void ObjCryst::Atom::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 423 of file ObjCryst/IO.cpp.


The documentation for this class was generated from the following files: