BALL::ShiftModel Class Reference
[Shift model classes]

A class representing a complete parameterized NMR shift model. More...

#include <shiftModel.h>

Inheritance diagram for BALL::ShiftModel:

[legend]

List of all members.

Public Types
Type definitions
typedef List< ShiftModule * >	ModuleList
	The module list type.
typedef StringHashMap < CreateMethod >	CreateMethodMap
	The creation method hash map type.
typedef void *(*	CreateMethod )()
	The creation method type.
Public Member Functions
Constructors and Destructors
	ShiftModel ()
	Default Constructor.
	ShiftModel (const String &filename)
	Detailed Constructor.
	ShiftModel (const ShiftModel &model)
	Copy constructor.
virtual	~ShiftModel ()
	Destructor.
void	clear ()
	Clear method.
Accessors
Parameters &	getParameters ()
ModuleList &	getModuleList ()
	Return the list of modules.
void	setFilename (const String &filename) throw (Exception::FileNotFound)
	Set the parameter filename.
const String &	getFilename () const
	Return the parameter filename.
void	registerModule (const String &name, CreateMethod method) throw (Exception::NullPointer)
	Register a new module type.
void	unregisterModule (const String &name)
	Unregister a module type.
Predicates
bool	isValid () const
	Validity flag.
bool	isRegistered (const String &name) const
	Check whether a module of this name is registered.
Assignment
const ShiftModel &	operator= (const ShiftModel &model)
	Assignment operator.
const ShiftModel &	operator= (const String &filename)
	Assignment operator (via filename).
Processor related methods
bool	start ()
	Start method.
bool	finish ()
	Finish method.
Processor::Result	operator() (Composite &composite)
	Application method.
Public Attributes
Public Attributes
Options	options
	Options.
Static Public Attributes
Constants
static const char *	MODULE_LIST_SECTION
	The name of the section containing the module types and names of the model.
Protected Member Functions
bool	init_ () throw (Exception::FileNotFound)
ShiftModule *	createModule_ (const String &type, const String &name) const
void	registerStandardModules_ ()
Protected Attributes
Parameters	parameters_
ModuleList	modules_
CreateMethodMap	registered_modules_
bool	valid_

---

Detailed Description

A class representing a complete parameterized NMR shift model.

The model consists of a set of single contributions (e.g. ring curent, magnetic anisotropy, etc.). Each of these contributions is calculated by a separate ShiftModule object. ShiftModel contains a list of these processors and is also derived from ShiftModul. Hence, it can be applied to arbitrary kernel objects in the same fashion as ShiftModule s.

---

Member Typedef Documentation

typedef void*(* BALL::ShiftModel::CreateMethod)()

The creation method type.

This type describes a method that can construct an object of type ShiftModule.

typedef StringHashMap<CreateMethod> BALL::ShiftModel::CreateMethodMap

The creation method hash map type.

This type is used internally to store the creation method corresponding to a certain symbolic name (usually the class name).

---

Member Function Documentation

void BALL::ShiftModel::clear

(

)

[virtual]

Clear method.

This method destructs all shift modules in the module list. Then, it clears the module list, the parameters, and the options.

Reimplemented from BALL::ShiftModule.