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libmultiscale/src/md/lammps/iterator_lammps.hh
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iterator_lammps.hh
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/**
* @file iterator_lammps.hh
*
* @author Guillaume Anciaux <guillaume.anciaux@epfl.ch>
*
* @date Wed Apr 03 23:50:25 2013
*
* @brief Iterator over lammps atomic references
*
* @section LICENSE
*
* Copyright INRIA and CEA
*
* The LibMultiScale is a C++ parallel framework for the multiscale
* coupling methods dedicated to material simulations. This framework
* provides an API which makes it possible to program coupled simulations
* and integration of already existing codes.
*
* This Project was initiated in a collaboration between INRIA Futurs Bordeaux
* within ScAlApplix team and CEA/DPTA Ile de France.
* The project is now continued at the Ecole Polytechnique Fédérale de Lausanne
* within the LSMS/ENAC laboratory.
*
* This software is governed by the CeCILL-C license under French law and
* abiding by the rules of distribution of free software. You can use,
* modify and/ or redistribute the software under the terms of the CeCILL-C
* license as circulated by CEA, CNRS and INRIA at the following URL
* "http://www.cecill.info".
*
* As a counterpart to the access to the source code and rights to copy,
* modify and redistribute granted by the license, users are provided only
* with a limited warranty and the software's author, the holder of the
* economic rights, and the successive licensors have only limited
* liability.
*
* In this respect, the user's attention is drawn to the risks associated
* with loading, using, modifying and/or developing or reproducing the
* software by the user in light of its specific status of free software,
* that may mean that it is complicated to manipulate, and that also
* therefore means that it is reserved for developers and experienced
* professionals having in-depth computer knowledge. Users are therefore
* encouraged to load and test the software's suitability as regards their
* requirements in conditions enabling the security of their systems and/or
* data to be ensured and, more generally, to use and operate it in the
* same conditions as regards security.
*
* The fact that you are presently reading this means that you have had
* knowledge of the CeCILL-C license and that you accept its terms.
*
*/
#ifndef __LIBMULTISCALE_ITERATOR_LAMMPS_HH__
#define __LIBMULTISCALE_ITERATOR_LAMMPS_HH__
/* -------------------------------------------------------------------------- */
#include "container_lammps.hh"
#include "lm_common.hh"
/* -------------------------------------------------------------------------- */
__BEGIN_LIBMULTISCALE__
/**
* Specialization of class iterator with RefLammps
*
*/
template <UInt _Dim>
class ContainerLammps<_Dim>::iterator : public iterator_base<RefLammps<_Dim>> {
/* ------------------------------------------------------------------------ */
/* Constructors/Destructors */
/* ------------------------------------------------------------------------ */
public:
iterator(ContainerLammps &c, UInt index_atom = 0);
/* ------------------------------------------------------------------------ */
/* Methods */
/* ------------------------------------------------------------------------ */
RefLammps<_Dim> &operator*();
iterator_base<RefLammps<_Dim>> &operator++();
virtual bool operator!=(const iterator_base<RefLammps<Dim>> &) const;
virtual bool operator==(const iterator_base<RefLammps<Dim>> &) const;
/* ------------------------------------------------------------------------ */
/* Class Members */
/* ------------------------------------------------------------------------ */
private:
UInt index_atom;
RefLammps<Dim> atom;
};
/* -------------------------------------------------------------------------- */
template <UInt _Dim>
inline RefLammps<_Dim> &ContainerLammps<_Dim>::iterator::operator*() {
return atom;
}
/* -------------------------------------------------------------------------- */
template <UInt _Dim>
inline iterator_base<RefLammps<_Dim>> &ContainerLammps<_Dim>::iterator::
operator++() {
++index_atom;
atom.index_atom = index_atom;
return *this;
}
/* -------------------------------------------------------------------------- */
template <UInt Dim>
inline ContainerLammps<Dim>::iterator::iterator(ContainerLammps &c,
UInt index_atom)
: iterator_base<RefLammps<Dim>>(c), index_atom(index_atom) {
auto *c_ = &c;
if (c_ == NULL) {
LM_FATAL("container not initialized: abort");
}
atom.index_atom = index_atom;
atom.stress_hook = c.stress_hook;
atom.epot_hook = c.epot_hook;
}
/* -------------------------------------------------------------------------- */
template <UInt Dim>
inline bool ContainerLammps<Dim>::iterator::
operator!=(const iterator_base<RefLammps<Dim>> &it) const {
return index_atom !=
static_cast<const typename ContainerLammps<Dim>::iterator &>(it)
.index_atom;
}
/* -------------------------------------------------------------------------- */
template <UInt Dim>
inline bool ContainerLammps<Dim>::iterator::
operator==(const iterator_base<RefLammps<Dim>> &it) const {
return index_atom ==
static_cast<const typename ContainerLammps::iterator &>(it).index_atom;
}
/* -------------------------------------------------------------------------- */
__END_LIBMULTISCALE__
#endif /* __LIBMULTISCALE_ITERATOR_LAMMPS_HH__ */
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