BALL::ShiftModel Class Reference
[Shift model classes]

#include <BALL/NMR/shiftModel.h>

Inheritance diagram for BALL::ShiftModel:

[legend]

List of all members.

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 Attributes
Public Attributes
Options	options
Static Public Attributes
Constants
static const char *	MODULE_LIST_SECTION
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.

Definition at line 32 of file shiftModel.h.

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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.

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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

Reimplemented from BALL::ShiftModule.

Processor::Result BALL::ShiftModel::operator()

(

Composite &

composite

)

[virtual]

Application method

Reimplemented from BALL::UnaryProcessor< Composite >.

const ShiftModel& BALL::ShiftModel::operator=

(

const String &

filename

)

Assignment operator (via filename).

const ShiftModel& BALL::ShiftModel::operator=

(

const ShiftModel &

model

)

Assignment operator

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]

Reimplemented from BALL::ShiftModule.

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]

Reimplemented from BALL::ShiftModule.

Definition at line 214 of file shiftModel.h.