BALL::ShiftModel Class Reference

#include <BALL/NMR/shiftModel.h>

Inheritance diagram for BALL::ShiftModel:

Public Types
Type definitions
typedef std::list< ShiftModule * >	ModuleList
typedef void *(*	CreateMethod )()
typedef StringHashMap < CreateMethod >	CreateMethodMap

Public Member Functions
Constructors and Destructors
	ShiftModel ()
	ShiftModel (const String &filename)
	ShiftModel (const ShiftModel &model)
virtual	~ShiftModel ()
void	clear ()
Accessors
Parameters &	getParameters ()
ModuleList &	getModuleList ()
void	setFilename (const String &filename) throw (Exception::FileNotFound)
const String &	getFilename () const
void	registerModule (const String &name, CreateMethod method) throw (Exception::NullPointer)
void	unregisterModule (const String &name)
Predicates
bool	isValid () const
bool	isRegistered (const String &name) const
Assignment
const ShiftModel &	operator= (const ShiftModel &model)
const ShiftModel &	operator= (const String &filename)
Processor related methods
bool	start ()
bool	finish ()
Processor::Result	operator() (Composite &composite)
Public Member Functions inherited from BALL::ShiftModule
	ShiftModule ()
	ShiftModule (Parameters &parameters, const String &name="")
	ShiftModule (const ShiftModule &module)
virtual	~ShiftModule ()
const ShiftModule &	operator= (const ShiftModule &module)
void	setName (const String &name)
const String &	getName () const
void	setParameters (Parameters &parameters)
const Parameters *	getParameters () const
virtual void	init ()
bool	isValid () const
Public Member Functions inherited from BALL::UnaryProcessor< Composite >
	UnaryProcessor ()
	UnaryProcessor (const UnaryProcessor &)
virtual	~UnaryProcessor ()

Public Attributes
Public Attributes
Options	options

Static Public Attributes
Constants
static const char *	MODULE_LIST_SECTION
Static Public Attributes inherited from BALL::ShiftModule
static const char *	PROPERTY__SHIFT
static const char *	PROPERTY__EXPERIMENTAL__SHIFT

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_
Protected Attributes inherited from BALL::ShiftModule
String	module_name_
Parameters *	parameters_
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.

Definition at line 32 of file shiftModel.h.

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.

Definition at line 51 of file shiftModel.h.

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).

Definition at line 57 of file shiftModel.h.

typedef std::list<ShiftModule*> BALL::ShiftModel::ModuleList

The module list type

Definition at line 45 of file shiftModel.h.

Constructor & Destructor Documentation

BALL::ShiftModel::ShiftModel

(

)

Default Constructor

BALL::ShiftModel::ShiftModel

(

const String &

filename

)

Detailed Constructor

BALL::ShiftModel::ShiftModel

(

const ShiftModel &

model

)

Copy constructor

virtual BALL::ShiftModel::~ShiftModel ( )

virtual

Destructor

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.

ShiftModule* BALL::ShiftModel::createModule_ ( const String &  type, const String &  name  ) const

protected

bool BALL::ShiftModel::finish ( )

virtual

Finish method

Reimplemented from BALL::ShiftModule.

const String& BALL::ShiftModel::getFilename

(

)

const

Return the parameter filename.

ModuleList& BALL::ShiftModel::getModuleList

(

)

Return the list of modules

Parameters& BALL::ShiftModel::getParameters

(

)

bool BALL::ShiftModel::init_ ( ) throw (Exception::FileNotFound)

protected

bool BALL::ShiftModel::isRegistered

(

const String &

name

)

const

Check whether a module of this name is registered

bool BALL::ShiftModel::isValid

(

)

const

Validity flag

Processor::Result BALL::ShiftModel::operator() ( Composite &  composite )

virtual

Application method

Reimplemented from BALL::UnaryProcessor< Composite >.

const ShiftModel& BALL::ShiftModel::operator=

(

const ShiftModel &

model

)

Assignment operator

const ShiftModel& BALL::ShiftModel::operator=

(

const String &

filename

)

Assignment operator (via filename).

void BALL::ShiftModel::registerModule	(	const String &	name,
		CreateMethod	method
	)		throw (Exception::NullPointer)

Register a new module type.

void BALL::ShiftModel::registerStandardModules_ ( )

protected

void BALL::ShiftModel::setFilename

(

const String &

filename

)

throw (Exception::FileNotFound)

Set the parameter filename.

bool BALL::ShiftModel::start ( )

virtual

Start method

Reimplemented from BALL::ShiftModule.

void BALL::ShiftModel::unregisterModule

(

const String &

name

)

Unregister a module type.

Member Data Documentation

const char* BALL::ShiftModel::MODULE_LIST_SECTION

static

The name of the section containing the module types and names of the model

Definition at line 66 of file shiftModel.h.

ModuleList BALL::ShiftModel::modules_

protected

Definition at line 205 of file shiftModel.h.

Options BALL::ShiftModel::options

Options

Definition at line 159 of file shiftModel.h.

Parameters BALL::ShiftModel::parameters_

protected

Definition at line 201 of file shiftModel.h.

CreateMethodMap BALL::ShiftModel::registered_modules_

protected

Definition at line 209 of file shiftModel.h.

bool BALL::ShiftModel::valid_

protected

Definition at line 214 of file shiftModel.h.