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

#include <ImpulseIntegrator.h>

Inheritance diagram for ProtoMol::ImpulseIntegrator:

ProtoMol::MTSIntegrator ProtoMol::StandardIntegrator ProtoMol::Integrator ProtoMol::Makeable List of all members.

Public Member Functions

 ImpulseIntegrator ()
 ImpulseIntegrator (int cycles, ForceGroup *overloadedForces, StandardIntegrator *nextIntegrator)
virtual std::string getIdNoAlias () const
virtual void initialize (GenericTopology *topo, Vector3DBlock *positions, Vector3DBlock *velocities, ScalarStructure *energies)

Static Public Attributes

const std::string keyword

Private Member Functions

virtual MTSIntegrator * doMake (std::string &errMsg, const std::vector< Value > &values, ForceGroup *fg, StandardIntegrator *nextIntegrator) const

Constructor & Destructor Documentation

ProtoMol::ImpulseIntegrator::ImpulseIntegrator (   ) 
 

ProtoMol::ImpulseIntegrator::ImpulseIntegrator (  int  cycles,
ForceGroup *  overloadedForces,
StandardIntegrator *  nextIntegrator
) 
 

Member Function Documentation

virtual MTSIntegrator* ProtoMol::ImpulseIntegrator::doMake (  std::string &  errMsg,
const std::vector< Value > &  values,
ForceGroup *  fg,
StandardIntegrator *  nextIntegrator
)  const [private, virtual]
 

Implements ProtoMol::MTSIntegrator.

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

Implements ProtoMol::Makeable.

void ProtoMol::ImpulseIntegrator::initialize (  GenericTopology *  topo,
Vector3DBlock *  positions,
Vector3DBlock *  velocities,
ScalarStructure *  energies
)  [virtual]
 

Set the integrator up. This method can be called at any time, and should perform any starting force evaluations the integrator needs in order to run correctly. The simulation data should be kept in the given structures.

Reimplemented from ProtoMol::MTSIntegrator.

Member Data Documentation

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

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.