Loading...
Searching...
No Matches
energyProcessor.h
Go to the documentation of this file.
// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// $Id: energyProcessor.h,v 1.17 2005/12/23 17:01:43 amoll Exp $
//
#ifndef BALL_ENERGY_ENERGYPROCESSOR_H
#define BALL_ENERGY_ENERGYPROCESSOR_H
#ifndef BALL_COMMON_H
# include <BALL/common.h>
#endif
#ifndef BALL_KERNEL_ATOMCONTAINER_H
# include <BALL/KERNEL/atomContainer.h>
#endif
#ifndef BALL_CONCEPT_PROCESSOR_H
# include <BALL/CONCEPT/processor.h>
#endif
namespace BALL
{
class BALL_EXPORT EnergyProcessor
: public UnaryProcessor<AtomContainer>
{
public:
BALL_CREATE(EnergyProcessor)
EnergyProcessor();
EnergyProcessor(const EnergyProcessor& proc);
virtual ~EnergyProcessor();
const EnergyProcessor& operator = (const EnergyProcessor& proc);
virtual void clear();
virtual bool start();
virtual Processor::Result operator () (AtomContainer& fragment);
double getEnergy() const;
bool isValid() const;
bool operator == (const EnergyProcessor& proc) const;
protected:
/*_ this is the Fragment for which the computation is to be done */
const AtomContainer* fragment_;
/*_ the calculated energy */
double energy_;
/*_ the valid flag */
bool valid_;
};
}
#endif // BALL_ENERGY_ENERGYPROCESSOR_H
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
atomContainer.h
BALL::AtomContainer
Definition atomContainer.h:32
BALL::EnergyProcessor::fragment_
const AtomContainer * fragment_
Definition energyProcessor.h:107
BALL::EnergyProcessor::EnergyProcessor
EnergyProcessor()
BALL::EnergyProcessor::valid_
bool valid_
Definition energyProcessor.h:113
BALL::EnergyProcessor::energy_
double energy_
Definition energyProcessor.h:110
BALL::EnergyProcessor::clear
virtual void clear()
BALL::EnergyProcessor::getEnergy
double getEnergy() const
BALL::EnergyProcessor::isValid
bool isValid() const
BALL::EnergyProcessor::start
virtual bool start()
BALL::Processor
Definition processor.h:32
BALL::Result
Definition result.h:22
BALL::UnaryProcessor< AtomContainer >::UnaryProcessor
UnaryProcessor()
Definition processor.h:69
common.h
BALL_CREATE
#define BALL_CREATE(name)
Definition create.h:62
BALL
Definition constants.h:13
processor.h