BALL::EnergyProcessor Class Reference
[Miscellaneous]

#include <BALL/ENERGY/energyProcessor.h>

Inheritance diagram for BALL::EnergyProcessor:

List of all members.

Public Member Functions
Constructors and Destructors
	EnergyProcessor ()
	EnergyProcessor (const EnergyProcessor &proc)
virtual	~EnergyProcessor ()
Assignment
const EnergyProcessor &	operator= (const EnergyProcessor &proc)
virtual void	clear ()
Processor related methods
virtual bool	start ()
virtual Processor::Result	operator() (AtomContainer &fragment)
Accessors
double	getEnergy () const
Predicates
bool	isValid () const
bool	operator== (const EnergyProcessor &proc) const
Protected Attributes
const AtomContainer *	fragment_
double	energy_
bool	valid_

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Detailed Description

Processor for energy calculations. With this class we provide an interface to different (free) energy calculations.

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Constructor & Destructor Documentation

BALL::EnergyProcessor::EnergyProcessor

(

)

Default constructor

BALL::EnergyProcessor::EnergyProcessor

(

const EnergyProcessor &

proc

)

Copy constructor

virtual BALL::EnergyProcessor::~EnergyProcessor

(

)

[virtual]

Destructor

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Member Function Documentation

virtual void BALL::EnergyProcessor::clear

(

)

[virtual]

Clear method.

Reimplemented in BALL::ComposedEnergyProcessor, BALL::Pair6_12InteractionEnergyProcessor, BALL::PairExpInteractionEnergyProcessor, BALL::PCMCavFreeEnergyProcessor, BALL::PierottiCavFreeEnergyProcessor, BALL::ReissCavFreeEnergyProcessor, and BALL::UhligCavFreeEnergyProcessor.

double BALL::EnergyProcessor::getEnergy

(

)

const

Return the computed energy

bool BALL::EnergyProcessor::isValid

(

)

const

Validity.

virtual Processor::Result BALL::EnergyProcessor::operator()

(

AtomContainer &

fragment

)

[virtual]

Operator-function. This function only stores the AtomContainer.

Reimplemented from BALL::UnaryProcessor< AtomContainer >.

const EnergyProcessor& BALL::EnergyProcessor::operator=

(

const EnergyProcessor &

proc

)

Assignment operator.

bool BALL::EnergyProcessor::operator==

(

const EnergyProcessor &

proc

)

const

Equality operator.

virtual bool BALL::EnergyProcessor::start

(

)

[virtual]

Start-function.

Reimplemented from BALL::UnaryProcessor< AtomContainer >.

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Member Data Documentation

double BALL::EnergyProcessor::energy_ [protected]

const AtomContainer* BALL::EnergyProcessor::fragment_ [protected]

bool BALL::EnergyProcessor::valid_ [protected]