ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.

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ProtoMol::TimeForce Class Reference

#include <TimeForce.h>

Inheritance diagram for ProtoMol::TimeForce:

ProtoMol::Force ProtoMol::Makeable ProtoMol::ExtendedTimeForce ProtoMol::SystemTimeForce List of all members.

Public Member Functions

 TimeForce (Force *actualForce)
virtual ~TimeForce ()
unsigned int getIdNumber () const
virtual std::string getKeyword () const
virtual unsigned int numberOfBlocks (const GenericTopology *topo, const Vector3DBlock *pos)
virtual void uncache ()
virtual std::string getIdNoAlias () const
virtual void getParameters (std::vector< Parameter > &parameters) const
virtual unsigned int getParameterSize () const

Static Public Attributes

const std::string keyword

Protected Member Functions

void preprocess (unsigned int numAtoms)
void postprocess (const GenericTopology *topo, Vector3DBlock *forces, ScalarStructure *energies)

Protected Attributes

ForcemyActualForce

Private Member Functions

virtual ForcedoMake (std::string &errMsg, std::vector< Value > values) const
virtual void doSetParameters (std::string &errMsg, std::vector< Value > values)

Private Attributes

unsigned int myIdNumber
std::string myForcename
Timer myTimer
std::vector< TimeRepmyTimeList

Static Private Attributes

unsigned int myCounter = 0

Constructor & Destructor Documentation

ProtoMol::TimeForce::TimeForce Force actualForce  ) 
 

ProtoMol::TimeForce::~TimeForce  )  [virtual]
 


Member Function Documentation

Force * ProtoMol::TimeForce::doMake std::string &  errMsg,
std::vector< Value values
const [private, virtual]
 

Implements ProtoMol::Force.

void ProtoMol::TimeForce::doSetParameters std::string &  errMsg,
std::vector< Value values
[private, virtual]
 

Reimplemented from ProtoMol::Force.

string ProtoMol::TimeForce::getIdNoAlias  )  const [virtual]
 

Implements ProtoMol::Makeable.

unsigned int ProtoMol::TimeForce::getIdNumber  )  const [inline]
 

virtual std::string ProtoMol::TimeForce::getKeyword  )  const [inline, virtual]
 

Implements ProtoMol::Force.

void ProtoMol::TimeForce::getParameters std::vector< Parameter > &  parameters  )  const [virtual]
 

retrieve all parameters

Implements ProtoMol::Makeable.

unsigned int ProtoMol::TimeForce::getParameterSize  )  const [virtual]
 

number of parameters

Implements ProtoMol::Makeable.

unsigned int ProtoMol::TimeForce::numberOfBlocks const GenericTopology topo,
const Vector3DBlock pos
[virtual]
 

Reimplemented from ProtoMol::Force.

void ProtoMol::TimeForce::postprocess const GenericTopology topo,
Vector3DBlock forces,
ScalarStructure energies
[protected]
 

void ProtoMol::TimeForce::preprocess unsigned int  numAtoms  )  [protected]
 

void ProtoMol::TimeForce::uncache  )  [virtual]
 

Reimplemented from ProtoMol::Force.


Member Data Documentation

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

Force* ProtoMol::TimeForce::myActualForce [protected]
 

unsigned int ProtoMol::TimeForce::myCounter = 0 [static, private]
 

std::string ProtoMol::TimeForce::myForcename [private]
 

unsigned int ProtoMol::TimeForce::myIdNumber [private]
 

std::vector<TimeRep> ProtoMol::TimeForce::myTimeList [private]
 

Timer ProtoMol::TimeForce::myTimer [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.