ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::OutputXYZTrajectoryForce Class Reference

#include <OutputXYZTrajectoryForce.h>

Inheritance diagram for ProtoMol::OutputXYZTrajectoryForce:

ProtoMol::Output ProtoMol::Makeable List of all members.

Public Member Functions

 OutputXYZTrajectoryForce ()
 OutputXYZTrajectoryForce (const std::string &filename, int freq)
virtual ~OutputXYZTrajectoryForce ()
virtual std::string getIdNoAlias () const
virtual unsigned int getParameterSize () const
virtual void getParameters (std::vector< Parameter > &parameter) const
virtual bool adjustWithDefaultParameters (std::vector< Value > &values, const Configuration *config) const

Static Public Attributes

const std::string keyword

Private Member Functions

virtual Output * doMake (std::string &errMsg, const std::vector< Value > &values) const
virtual void doInitialize ()
virtual void doRun (int step)
virtual void doFinalize (int step)

Private Attributes

XYZTrajectoryWriter * myXYZ

Constructor & Destructor Documentation

ProtoMol::OutputXYZTrajectoryForce::OutputXYZTrajectoryForce (   ) 
 

ProtoMol::OutputXYZTrajectoryForce::OutputXYZTrajectoryForce (  const std::string &  filename,
int  freq
) 
 

ProtoMol::OutputXYZTrajectoryForce::~OutputXYZTrajectoryForce (   )  [virtual]
 

Member Function Documentation

bool ProtoMol::OutputXYZTrajectoryForce::adjustWithDefaultParameters (  std::vector< Value > &  values,
const Configuration *  config
)  const [virtual]
 

Reimplemented from ProtoMol::Makeable.

void ProtoMol::OutputXYZTrajectoryForce::doFinalize (  int  step  )  [private, virtual]
 

Hook method of finalize, implemented in the concrete class.

Implements ProtoMol::Output.

void ProtoMol::OutputXYZTrajectoryForce::doInitialize (   )  [private, virtual]
 

Hook method of initialize, implemented in the concrete class.

Implements ProtoMol::Output.

virtual Output* ProtoMol::OutputXYZTrajectoryForce::doMake (  std::string &  errMsg,
const std::vector< Value > &  values
)  const [private, virtual]
 

Implements ProtoMol::Output.

void ProtoMol::OutputXYZTrajectoryForce::doRun (  int  step  )  [private, virtual]
 

Hook method of run, implemented in the concrete class.

Implements ProtoMol::Output.

virtual std::string ProtoMol::OutputXYZTrajectoryForce::getIdNoAlias (   )  const [inline, virtual]
 

Implements ProtoMol::Makeable.

void ProtoMol::OutputXYZTrajectoryForce::getParameters (  std::vector< Parameter > &  parameter  )  const [virtual]
 

retrieve all parameters

Implements ProtoMol::Makeable.

virtual unsigned int ProtoMol::OutputXYZTrajectoryForce::getParameterSize (   )  const [inline, virtual]
 

number of parameters

Implements ProtoMol::Makeable.

Member Data Documentation

const string ProtoMol::OutputXYZTrajectoryForce::keyword [static]
 

XYZTrajectoryWriter* ProtoMol::OutputXYZTrajectoryForce::myXYZ [private]
 

The documentation for this class was generated from the following files: Last update: . GNU GENERAL PUBLIC LICENSE, copyrighted by the University of Notre Dame and the University of Bergen, Norway.