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domain_md.hh
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rLIBMULTISCALE LibMultiScale
domain_md.hh
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/**
* @file domain_md.hh
*
* @author Guillaume Anciaux <guillaume.anciaux@epfl.ch>
*
* @date Tue Oct 29 22:09:05 2013
*
* @brief Mother to all molecular domains
*
* @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_DOMAIN_MD_HH__
#define __LIBMULTISCALE_DOMAIN_MD_HH__
/* -------------------------------------------------------------------------- */
#include "domain_md_interface.hh"
/* -------------------------------------------------------------------------- */
__BEGIN_LIBMULTISCALE__
/**
* Class DomainAtomic
*
*/
template
<
typename
ContAtoms
,
UInt
Dim
>
class
DomainAtomic
:
public
DomainInterface
{
public
:
using
ContainerAtoms
=
ContAtoms
;
using
IteratorAtoms
=
typename
ContainerAtoms
::
iterator
;
using
RefAtom
=
typename
ContainerAtoms
::
Ref
;
using
ContainerPoints
=
ContainerAtoms
;
using
Output
=
ContainerPoints
;
using
IteratorPoints
=
typename
ContainerAtoms
::
iterator
;
using
RefPoint
=
typename
ContainerAtoms
::
Ref
;
using
ContainerSubset
=
typename
ContainerAtoms
::
ContainerSubset
;
DomainAtomic
(
const
LMID
&
id
,
CommGroup
&
group
)
:
DomainInterface
(
group
),
atoms
(
id
){};
void
init
()
override
{
createOutput
(
"atoms"
)
=
atoms
;
}
virtual
~
DomainAtomic
()
{}
//! component compute does nothing for md domains
void
compute_make_call
(){};
//! read XMLFile to relaod a situation
void
readXMLFile
(
const
std
::
string
&
filename
);
//! implementation of the parsing method
virtual
void
declareParams
();
//! connect and build the adapted object
void
connect
(
FactoryMultiScale
<
FilterInterface
>
&
f
);
//! connect and build the adapted object
void
connect
(
FactoryMultiScale
<
ActionInterface
>
&
f
);
//! return the container of atoms
ContainerAtoms
&
getContainer
();
//! return a reference to the geometry
Geometry
&
getGeom
();
// possibly deadcode
// //! get the elastic constant
// virtual Real getElasticConstant() = 0;
// //! get the R0
// virtual Real getR0() = 0;
// //! get the nb of dofs
// virtual int getNbDofs() = 0;
//! return value of arlequin flag
// bool arlequin() { return arlequin_flag; }
protected
:
//! flag to active arlequin energy weigthing
// bool arlequin_flag;
//! atoms container
ContainerAtoms
atoms
;
// timestep
Quantity
<
Time
>
timeStep
;
//! domain geometry id
LMID
geom
;
};
/* -------------------------------------------------------------------------- */
__END_LIBMULTISCALE__
#endif
/* __LIBMULTISCALE_DOMAIN_MD_HH__ */
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