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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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