BALL::ComposedEnergyProcessor Class Reference

#include <BALL/ENERGY/composedEnergyProcessor.h>

Inheritance diagram for BALL::ComposedEnergyProcessor:

Public Member Functions
Constructors and destructors
	ComposedEnergyProcessor ()
	ComposedEnergyProcessor (const ComposedEnergyProcessor &composed_energy_proc)
	ComposedEnergyProcessor (EnergyProcessorList proc_list)
virtual	~ComposedEnergyProcessor ()
Assignment
const ComposedEnergyProcessor &	operator= (const ComposedEnergyProcessor &proc)
virtual void	clear ()
Processor functions
virtual bool	finish ()
Accessors
void	addComponent (EnergyProcessor *proc)
void	removeComponent (EnergyProcessor *proc)
Size	getNumberOfEnergyProcessors () const
Predicates
bool	operator== (const ComposedEnergyProcessor &proc) const
Public Member Functions inherited from BALL::EnergyProcessor
	EnergyProcessor ()
	EnergyProcessor (const EnergyProcessor &proc)
virtual	~EnergyProcessor ()
const EnergyProcessor &	operator= (const EnergyProcessor &proc)
virtual bool	start ()
virtual Processor::Result	operator() (AtomContainer &fragment)
double	getEnergy () const
bool	isValid () const
bool	operator== (const EnergyProcessor &proc) const
Public Member Functions inherited from BALL::UnaryProcessor< AtomContainer >
	UnaryProcessor ()
	UnaryProcessor (const UnaryProcessor &)
virtual	~UnaryProcessor ()

Protected Attributes
EnergyProcessorList	components_
Protected Attributes inherited from BALL::EnergyProcessor
const AtomContainer *	fragment_
double	energy_
bool	valid_

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

Detailed Description

A class for composed energy calculations. Most energies are compositions of several energy contributions. To model this in a convenient way this class is intended to calculate and sum a given list of energy contributions.

See also

EnergyProcessor

Definition at line 34 of file composedEnergyProcessor.h.

Constructor & Destructor Documentation

BALL::ComposedEnergyProcessor::ComposedEnergyProcessor

(

)

Default constructor

BALL::ComposedEnergyProcessor::ComposedEnergyProcessor

(

const ComposedEnergyProcessor &

composed_energy_proc

)

Copy constructor

BALL::ComposedEnergyProcessor::ComposedEnergyProcessor

(

EnergyProcessorList

proc_list

)

Detailed constructor

virtual BALL::ComposedEnergyProcessor::~ComposedEnergyProcessor ( )

virtual

Destructor

Member Function Documentation

void BALL::ComposedEnergyProcessor::addComponent

(

EnergyProcessor *

proc

)

Add a component to the list of EnergyProcessors

virtual void BALL::ComposedEnergyProcessor::clear ( )

virtual

Clear method. Clears the calculated energy and the list of processors.

Reimplemented from BALL::EnergyProcessor.

virtual bool BALL::ComposedEnergyProcessor::finish ( )

virtual

Do all calculations and sum up the different energy contributions

Reimplemented from BALL::UnaryProcessor< AtomContainer >.

Size BALL::ComposedEnergyProcessor::getNumberOfEnergyProcessors

(

)

const

Get number of added EnergyProcessors.

const ComposedEnergyProcessor& BALL::ComposedEnergyProcessor::operator=

(

const ComposedEnergyProcessor &

proc

)

Assignment operator

bool BALL::ComposedEnergyProcessor::operator==

(

const ComposedEnergyProcessor &

proc

)

const

Equality operator

void BALL::ComposedEnergyProcessor::removeComponent

(

EnergyProcessor *

proc

)

remove a component from the list

Member Data Documentation

EnergyProcessorList BALL::ComposedEnergyProcessor::components_

protected

Definition at line 116 of file composedEnergyProcessor.h.