BALL::RandomCoilShiftProcessor Class Reference

#include <BALL/NMR/randomCoilShiftProcessor.h>

Inheritance diagram for BALL::RandomCoilShiftProcessor:

Public Member Functions
Constructors and Destructors
	RandomCoilShiftProcessor ()
	RandomCoilShiftProcessor (const RandomCoilShiftProcessor &processor)
virtual	~RandomCoilShiftProcessor ()
Accessors
virtual void	init ()
Processor specific functions.
virtual 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 ()
virtual void	clear ()
const ShiftModule &	operator= (const ShiftModule &module)
void	setName (const String &name)
const String &	getName () const
void	setParameters (Parameters &parameters)
const Parameters *	getParameters () const
virtual bool	start ()
virtual bool	finish ()
bool	isValid () const
Public Member Functions inherited from BALL::UnaryProcessor< Composite >
	UnaryProcessor ()
	UnaryProcessor (const UnaryProcessor &)
virtual	~UnaryProcessor ()

Static Public Attributes
Enums and Constants
static const char *	PROPERTY__RANDOM_COIL_SHIFT
Static Public Attributes inherited from BALL::ShiftModule
static const char *	PROPERTY__SHIFT
static const char *	PROPERTY__EXPERIMENTAL__SHIFT

Protected Attributes
StringHashMap< float >	shift_map_
Protected Attributes inherited from BALL::ShiftModule
String	module_name_
Parameters *	parameters_
bool	valid_

Additional Inherited Members
Public Types inherited from BALL::UnaryFunctor< Composite, Processor::Result >
typedef Processor::Result	result_type
typedef Composite	argument_type
typedef Composite &	argument_reference
typedef const Composite &	const_argument_reference
typedef Composite *	argument_pointer
typedef const Composite *	const_argument_pointer

Detailed Description

Random coil shift assignment processor.

Definition at line 20 of file randomCoilShiftProcessor.h.

Constructor & Destructor Documentation

BALL::RandomCoilShiftProcessor::RandomCoilShiftProcessor

(

)

Default constructor.

BALL::RandomCoilShiftProcessor::RandomCoilShiftProcessor

(

const RandomCoilShiftProcessor &

processor

)

Copy constructor.

virtual BALL::RandomCoilShiftProcessor::~RandomCoilShiftProcessor ( )

virtual

Destructor

Member Function Documentation

virtual void BALL::RandomCoilShiftProcessor::init ( )

virtual

Initialize the module. This method fails if no Parameters object was assigned or the parameter file does not contain the proper section (RandomCoilShifts). The random coil shift as read from the parameter file are stored in { shift_map_}. If the method terminates correctly, the module is valid.

See also

isValid

Reimplemented from BALL::ShiftModule.

virtual Processor::Result BALL::RandomCoilShiftProcessor::operator() ( Composite &  composite )

virtual

Application method. For all atom objects, the random coil shift contribution as read from the parameter files is determined, stored in the named property RandomCoilShiftProcessor::PROPERTY__RANDOM_COIL_SHIFT, and added to the total chemical shift contribution, stored in the named property ShiftModule::PROPERTY__SHIFT .

Reimplemented from BALL::UnaryProcessor< Composite >.

Member Data Documentation

const char* BALL::RandomCoilShiftProcessor::PROPERTY__RANDOM_COIL_SHIFT

static

A symbolic name for the random coil contribution to the chemical shift

See also

ShiftModule::PROPERTY__SHIFT

Definition at line 34 of file randomCoilShiftProcessor.h.

StringHashMap<float> BALL::RandomCoilShiftProcessor::shift_map_

protected

Definition at line 87 of file randomCoilShiftProcessor.h.