ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::Topology< TBoundaryConditions, TCellManager > Class Template Reference

#include <Topology.h>

Inheritance diagram for ProtoMol::Topology< TBoundaryConditions, TCellManager >:

ProtoMol::SemiGenericTopology< TBoundaryConditions > ProtoMol::GenericTopology ProtoMol::Makeable List of all members.

Public Types

typedef CellListEnumerator<
TBoundaryConditions, TCellManager > 		Enumerator
typedef TCellManager CellManager

Public Member Functions

 Topology ()
 Topology (Real csf, const ExclusionType &e, const TBoundaryConditions &b, const TCellManager &c)
virtual ~Topology ()
virtual void uncacheCellList ()
void updateCellLists (const Vector3DBlock *positions) const
virtual void getParameters (std::vector< Parameter > &parameters) const
virtual unsigned int getParameterSize () const
virtual std::string getIdNoAlias () const
virtual std::string print (const Vector3DBlock *positions=NULL) const

Public Attributes

CellManager cellManager
CellManager::CellListStructure cellLists

Private Member Functions

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

Detailed Description

template<class TBoundaryConditions, class TCellManager>
class ProtoMol::Topology< TBoundaryConditions, TCellManager >

Implementation of the topology of a systems with a given boundary conditions and cell manager.

Member Typedef Documentation

template<class TBoundaryConditions, class TCellManager>
typedef TCellManager ProtoMol::Topology< TBoundaryConditions, TCellManager >::CellManager
 

template<class TBoundaryConditions, class TCellManager>
typedef CellListEnumerator<TBoundaryConditions, TCellManager> ProtoMol::Topology< TBoundaryConditions, TCellManager >::Enumerator
 

Constructor & Destructor Documentation

template<class TBoundaryConditions, class TCellManager>
ProtoMol::Topology< TBoundaryConditions, TCellManager >::Topology (   )  [inline]
 

template<class TBoundaryConditions, class TCellManager>
ProtoMol::Topology< TBoundaryConditions, TCellManager >::Topology (  Real  csf,
const ExclusionType &  e,
const TBoundaryConditions &  b,
const TCellManager &  c
)  [inline]
 

template<class TBoundaryConditions, class TCellManager>
virtual ProtoMol::Topology< TBoundaryConditions, TCellManager >::~Topology (   )  [inline, virtual]
 

Member Function Documentation

template<class TBoundaryConditions, class TCellManager>
virtual GenericTopology* ProtoMol::Topology< TBoundaryConditions, TCellManager >::doMake (  std::string &  errMsg,
std::vector< Value >  values
)  const [inline, private, virtual]
 

Implements ProtoMol::GenericTopology.

template<class TBoundaryConditions, class TCellManager>
virtual std::string ProtoMol::Topology< TBoundaryConditions, TCellManager >::getIdNoAlias (   )  const [inline, virtual]
 

Implements ProtoMol::Makeable.

template<class TBoundaryConditions, class TCellManager>
virtual void ProtoMol::Topology< TBoundaryConditions, TCellManager >::getParameters (  std::vector< Parameter > &  parameters  )  const [inline, virtual]
 

retrieve all parameters

Implements ProtoMol::Makeable.

template<class TBoundaryConditions, class TCellManager>
virtual unsigned int ProtoMol::Topology< TBoundaryConditions, TCellManager >::getParameterSize (   )  const [inline, virtual]
 

number of parameters

Implements ProtoMol::Makeable.

template<class TBoundaryConditions, class TCellManager>
virtual std::string ProtoMol::Topology< TBoundaryConditions, TCellManager >::print (  const Vector3DBlock *  positions = NULL  )  const [inline, virtual]
 

Implements ProtoMol::GenericTopology.

template<class TBoundaryConditions, class TCellManager>
virtual void ProtoMol::Topology< TBoundaryConditions, TCellManager >::uncacheCellList (   )  [inline, virtual]
 

marks the the cell list as not valid any more.

Implements ProtoMol::GenericTopology.

template<class TBoundaryConditions, class TCellManager>
void ProtoMol::Topology< TBoundaryConditions, TCellManager >::updateCellLists (  const Vector3DBlock *  positions  )  const [inline]
 

invokces an update of the cell list, if necessary

Member Data Documentation

template<class TBoundaryConditions, class TCellManager>
CellManager::CellListStructure ProtoMol::Topology< TBoundaryConditions, TCellManager >::cellLists [mutable]
 

template<class TBoundaryConditions, class TCellManager>
CellManager ProtoMol::Topology< TBoundaryConditions, TCellManager >::cellManager
 

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.