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libmultiscale/src/md/ref_atom.hh
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/**
* @file ref_atom.hh
*
* @author Guillaume Anciaux <guillaume.anciaux@epfl.ch>
*
* @date Fri Nov 15 14:49:04 2013
*
* @brief This is the mother class of all atomic reference
*
* @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_REF_ATOM_HH__
#define __LIBMULTISCALE_REF_ATOM_HH__
/* -------------------------------------------------------------------------- */
#include "accessor_dof.hh"
#include "cube.hh"
#include "lm_common.hh"
#include "ref_point.hh"
/* -------------------------------------------------------------------------- */
__BEGIN_LIBMULTISCALE__
/* -------------------------------------------------------------------------- */
template <UInt Dim, typename DaugtherClass> class RefAtom;
/* -------------------------------------------------------------------------- */
template <typename Ref, FieldType ftype>
struct AccessorAtomDof : public AccessorDof<Ref, ftype> {
using AccessorDof<Ref, ftype>::AccessorDof;
using AccessorDof<Ref, ftype>::operator=;
};
/* -------------------------------------------------------------------------- */
/**
* Class Refatome
*
*/
template <UInt Dim, typename DaughterClass>
class RefAtom : public RefPoint<Dim> {
public:
#define declare_accessor(_name) \
decltype(auto) _name() { return static_cast<DaughterClass *>(this)->_name(); }
declare_accessor(position0);
declare_accessor(position);
declare_accessor(velocity);
declare_accessor(force);
declare_accessor(acceleration);
declare_accessor(displacement);
declare_accessor(mass);
declare_accessor(charge);
declare_accessor(id);
#undef declare_accessor
virtual UInt typeID() { LM_TOIMPLEMENT; };
virtual MatrixView<Dim> stress() { LM_TOIMPLEMENT; };
virtual MatrixView<Dim> kinetic_stress() { LM_TOIMPLEMENT; };
virtual Real getEPot() { LM_TOIMPLEMENT; };
virtual UInt tag() { LM_TOIMPLEMENT; };
virtual Real electronic_density() { LM_TOIMPLEMENT; };
template <FieldType ftype> AccessorAtomDof<RefAtom, ftype> field() {
AccessorAtomDof<RefAtom, ftype> acc(*this);
return acc;
}
public:
static constexpr UInt dim = Dim;
};
/* -------------------------------------------------------------------------- */
template <typename Ref> class AccessorAtomDof<Ref, _displacement> {
public:
static constexpr FieldType ftype = _displacement;
using TensorType = Vector<Ref::Dim>;
AccessorAtomDof(Ref &at) : at(at) { disp = at.position() - at.position0(); };
template <typename T> inline TensorType &operator=(const T &val) {
at.position() = at.position0() + val;
disp = val;
return disp;
}
template <typename T>
inline AccessorAtomDof<Ref, _displacement> &operator+=(const T &val) {
disp += val;
at.position() = at.position0() + disp;
return *this;
}
UInt size() { return Ref::Dim; }
class AccessorDisplacementDof {
public:
AccessorDisplacementDof(Ref &at, UInt index) : at(at), index(index) {}
operator Real() { return (at.position() - at.position0())[index]; }
template <typename T>
inline AccessorDisplacementDof &operator=(const T &val) {
at.position()[index] = val + at.position0()[index];
return *this;
}
template <typename T>
inline AccessorDisplacementDof &operator+=(const T &val) {
at.position()[index] += val;
return *this;
}
template <typename T>
inline AccessorDisplacementDof &operator-=(const T &val) {
at.position()[index] -= val;
return *this;
}
private:
Ref &at;
UInt index;
};
inline AccessorDisplacementDof operator[](UInt i) {
return AccessorDisplacementDof(at, i);
}
operator Vector<Ref::Dim>() { return Vector<Ref::Dim>(disp); }
decltype(auto) data() { return disp.data(); };
void printself(std::ostream &os) { os << disp; }
Ref &at;
TensorType disp;
};
/* -------------------------------------------------------------------------- */
template <typename Ref, FieldType ftype>
std::ostream &operator<<(std::ostream &os, AccessorAtomDof<Ref, ftype> &acc) {
acc.printself(os);
return os;
}
/* -------------------------------------------------------------------------- */
template <typename Ref, FieldType ftype>
std::ostream &operator<<(std::ostream &os, AccessorAtomDof<Ref, ftype> &&acc) {
acc.printself(os);
return os;
}
/* -------------------------------------------------------------------------- */
#undef DECLARE_ACCESSOR
__END_LIBMULTISCALE__
#endif /* __LIBMULTISCALE_REF_ATOM_HH__ */
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