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coupling
interface
MoleculeIterator.h
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// Copyright (C) 2015 Technische Universitaet Muenchen
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// This file is part of the Mamico project. For conditions of distribution
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// and use, please see the copyright notice in Mamico's main folder, or at
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// www5.in.tum.de/mamico
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#ifndef _MOLECULARDYNAMICS_COUPLING_INTERFACE_MOLECULEITERATOR_H_
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#define _MOLECULARDYNAMICS_COUPLING_INTERFACE_MOLECULEITERATOR_H_
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#include "coupling/interface/Molecule.h"
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namespace
coupling
{
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namespace
interface {
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template
<
class
LinkedCell,
unsigned
int
dim>
class
MoleculeIterator
;
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}
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}
// namespace coupling
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template
<
class
LinkedCell,
unsigned
int
dim>
class
coupling::interface::MoleculeIterator
{
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protected
:
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LinkedCell& _cell;
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public
:
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MoleculeIterator
(LinkedCell& cell) : _cell(cell) {}
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virtual
~MoleculeIterator
() {}
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virtual
void
begin
() = 0;
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virtual
bool
continueIteration
()
const
= 0;
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virtual
void
next
() = 0;
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virtual
coupling::interface::Molecule<dim>
&
get
() = 0;
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virtual
const
coupling::interface::Molecule<dim>
&
getConst
() = 0;
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};
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#endif
// _MOLECULARDYNAMICS_COUPLING_INTERFACE_MOLECULEITERATOR_H_
coupling::interface::MoleculeIterator
some iterator scheme for traversing the molecules within a linked cell.
Definition
MoleculeIterator.h:24
coupling::interface::MoleculeIterator::continueIteration
virtual bool continueIteration() const =0
coupling::interface::MoleculeIterator::next
virtual void next()=0
coupling::interface::MoleculeIterator::~MoleculeIterator
virtual ~MoleculeIterator()
Definition
MoleculeIterator.h:33
coupling::interface::MoleculeIterator::MoleculeIterator
MoleculeIterator(LinkedCell &cell)
Definition
MoleculeIterator.h:30
coupling::interface::MoleculeIterator::begin
virtual void begin()=0
coupling::interface::MoleculeIterator::getConst
virtual const coupling::interface::Molecule< dim > & getConst()=0
coupling::interface::MoleculeIterator::get
virtual coupling::interface::Molecule< dim > & get()=0
coupling::interface::Molecule
interface to access a single molecule in the MD simulation.
Definition
Molecule.h:23
coupling
everything necessary for coupling operations, is defined in here
Definition
AdditiveMomentumInsertion.h:15
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