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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
DomainAtomicInterface
,
public
ComponentLMOutTyped
<
ContAtoms
,
OUTPUT_REF
>
{
/* ------------------------------------------------------------------------ */
/* Constructors/Destructors */
/* ------------------------------------------------------------------------ */
public
:
DomainAtomic
(
DomainID
ID
,
CommGroup
GID
)
:
ComponentLMInterface
(
Dim
),
DomainAtomicInterface
(
ID
,
GID
),
ComponentLMOutTyped
<
ContAtoms
,
OUTPUT_REF
>
(
Dim
),
arlequin_flag
(
false
)
{
this
->
setOutput
(
atoms
);
};
virtual
~
DomainAtomic
(){}
/* ------------------------------------------------------------------------ */
/* Typedefs */
/* ------------------------------------------------------------------------ */
typedef
ContAtoms
ContainerAtoms
;
typedef
typename
ContainerAtoms
::
iterator
IteratorAtoms
;
typedef
typename
ContainerAtoms
::
Ref
RefAtom
;
typedef
ContainerAtoms
ContainerPoints
;
typedef
ContainerPoints
Output
;
typedef
typename
ContainerAtoms
::
iterator
IteratorPoints
;
typedef
typename
ContainerAtoms
::
Ref
RefPoint
;
typedef
typename
ContainerAtoms
::
ContainerSubset
ContainerSubset
;
/* ------------------------------------------------------------------------ */
/* Methods */
/* ------------------------------------------------------------------------ */
void
build
(){};
//! 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
(
FilterManager
&
f
);
//! connect and build the adapted object
void
connect
(
ActionManager
&
f
);
/* ------------------------------------------------------------------------ */
/* Accessors */
/* ------------------------------------------------------------------------ */
//! return the container of atoms
ContainerAtoms
&
getContainer
();
ContainerAtoms
&
getOutput
(){
return
this
->
getContainer
();};
//! get the timestep
virtual
Real
getTimeStep
()
=
0
;
//! 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 a reference to the geometry
Geometry
&
getGeom
();
//! return a reference to the geometry
Geometry
&
getGeomConstrained
();
//! return value of arlequin flag
bool
arlequin
(){
return
arlequin_flag
;}
//! returns whether an md domain is perdiodic in direction dir
virtual
bool
isPeriodic
(
UInt
dir
){
LM_TOIMPLEMENT
;}
/* ------------------------------------------------------------------------ */
/* Class Members */
/* ------------------------------------------------------------------------ */
protected
:
//! flag to active arlequin energy weigthing
bool
arlequin_flag
;
//! atoms container
ContainerAtoms
atoms
;
/* ------------------------------------------------------------------------ */
// old material members
/* -------------------------------------------------------------------------- */
private
:
//! flag to enable mem saving for relad purpose
// UInt mem_save_on_off;
//! domain geometry id
GeomID
geom
;
//! constrained geometry
GeomID
geom_constrained
;
};
/* -------------------------------------------------------------------------- */
__END_LIBMULTISCALE__
#endif
/* __LIBMULTISCALE_DOMAIN_MD_HH__ */
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