BALL  1.4.1
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Protected Attributes
BALL::EnergyProcessor Class Reference

#include <BALL/ENERGY/energyProcessor.h>

Inheritance diagram for BALL::EnergyProcessor:
BALL::UnaryProcessor< AtomContainer > BALL::UnaryFunctor< AtomContainer, Processor::Result > BALL::ComposedEnergyProcessor BALL::Pair6_12InteractionEnergyProcessor BALL::PairExpInteractionEnergyProcessor BALL::PCMCavFreeEnergyProcessor BALL::PierottiCavFreeEnergyProcessor BALL::ReissCavFreeEnergyProcessor BALL::UhligCavFreeEnergyProcessor

List of all members.

Public Member Functions

Constructors and Destructors
 EnergyProcessor ()
 EnergyProcessor (const EnergyProcessor &proc)
virtual ~EnergyProcessor ()
Assignment
const EnergyProcessoroperator= (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 AtomContainerfragment_
double energy_
bool valid_

Detailed Description

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

Definition at line 30 of file energyProcessor.h.


Constructor & Destructor Documentation

Default constructor

Copy constructor

Destructor


Member Function Documentation

virtual void BALL::EnergyProcessor::clear ( ) [virtual]

Return the computed energy

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 >.


Member Data Documentation

Definition at line 110 of file energyProcessor.h.

Definition at line 107 of file energyProcessor.h.

Definition at line 113 of file energyProcessor.h.

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