ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce > Class Template Reference

#include <NonbondedCutoffForce.h>

Inheritance diagram for ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >:

ProtoMol::NonbondedCutoffForceBase List of all members.

Public Member Functions

 NonbondedCutoffForce ()
 NonbondedCutoffForce (Real cutoff, TOneAtomPair oneAtomPair)
virtual unsigned int numberOfBlocks (const GenericTopology *topo, const Vector3DBlock *positions)
virtual std::string getKeyword () const
virtual std::string getIdNoAlias () const
virtual void getParameters (std::vector< Parameter > &parameters) const
virtual unsigned int getParameterSize () const

Protected Member Functions

void doEvaluate (const GenericTopology *topo, unsigned int n)

Protected Attributes

Real myCutoff
TOneAtomPair myOneAtomPair
EnumeratorType enumerator

Private Types

typedef TOneAtomPair::BoundaryConditions BoundaryConditions
typedef Topology< BoundaryConditions,
TCellManager > 		RealTopologyType
typedef RealTopologyType::Enumerator EnumeratorType
typedef RealTopologyType::Enumerator::CellPair CellPairType

Private Member Functions

virtual Force * doMake (std::string &errMsg, std::vector< Value > values) const

template<class TCellManager, class TOneAtomPair, class TForce, class TImplForce>
class ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >

Member Typedef Documentation

template<class TCellManager, class TOneAtomPair, class TForce, class TImplForce>
typedef TOneAtomPair::BoundaryConditions ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >::BoundaryConditions [private]
 

Reimplemented in ProtoMol::NonbondedCutoffMollyForce< TCellManager, TOneAtomPair >, and ProtoMol::NonbondedCutoffSystemForce< TCellManager, TOneAtomPair >.

template<class TCellManager, class TOneAtomPair, class TForce, class TImplForce>
typedef RealTopologyType::Enumerator::CellPair ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >::CellPairType [private]
 

Reimplemented in ProtoMol::NonbondedCutoffMollyForce< TCellManager, TOneAtomPair >, and ProtoMol::NonbondedCutoffSystemForce< TCellManager, TOneAtomPair >.

template<class TCellManager, class TOneAtomPair, class TForce, class TImplForce>
typedef RealTopologyType::Enumerator ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >::EnumeratorType [private]
 

Reimplemented in ProtoMol::NonbondedCutoffMollyForce< TCellManager, TOneAtomPair >, and ProtoMol::NonbondedCutoffSystemForce< TCellManager, TOneAtomPair >.

template<class TCellManager, class TOneAtomPair, class TForce, class TImplForce>
typedef Topology<BoundaryConditions, TCellManager> ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >::RealTopologyType [private]
 

Reimplemented in ProtoMol::NonbondedCutoffMollyForce< TCellManager, TOneAtomPair >, and ProtoMol::NonbondedCutoffSystemForce< TCellManager, TOneAtomPair >.

Constructor & Destructor Documentation

template<class TCellManager, class TOneAtomPair, class TForce, class TImplForce>
ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >::NonbondedCutoffForce (   )  [inline]
 

template<class TCellManager, class TOneAtomPair, class TForce, class TImplForce>
ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >::NonbondedCutoffForce (  Real  cutoff,
TOneAtomPair  oneAtomPair
)  [inline]
 

Member Function Documentation

template<class TCellManager, class TOneAtomPair, class TForce, class TImplForce>
void ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >::doEvaluate (  const GenericTopology *  topo,
unsigned int  n
)  [protected]
 

template<class TCellManager, class TOneAtomPair, class TForce, class TImplForce>
Force * ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >::doMake (  std::string &  errMsg,
std::vector< Value >  values
)  const [private, virtual]
 

template<class TCellManager, class TOneAtomPair, class TForce, class TImplForce>
std::string ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >::getIdNoAlias (   )  const [virtual]
 

template<class TCellManager, class TOneAtomPair, class TForce, class TImplForce>
virtual std::string ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >::getKeyword (   )  const [inline, virtual]
 

template<class TCellManager, class TOneAtomPair, class TForce, class TImplForce>
void ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >::getParameters (  std::vector< Parameter > &  parameters  )  const [virtual]
 

template<class TCellManager, class TOneAtomPair, class TForce, class TImplForce>
virtual unsigned int ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >::getParameterSize (   )  const [inline, virtual]
 

template<class TCellManager, class TOneAtomPair, class TForce, class TImplForce>
virtual unsigned int ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >::numberOfBlocks (  const GenericTopology *  topo,
const Vector3DBlock *  positions
)  [inline, virtual]
 

Member Data Documentation

template<class TCellManager, class TOneAtomPair, class TForce, class TImplForce>
EnumeratorType ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >::enumerator [protected]
 

template<class TCellManager, class TOneAtomPair, class TForce, class TImplForce>
Real ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >::myCutoff [protected]
 

template<class TCellManager, class TOneAtomPair, class TForce, class TImplForce>
TOneAtomPair ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >::myOneAtomPair [protected]
 

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