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filter_dislo.cc
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/**
* @file filter_dislo.cc
*
* @author Guillaume Anciaux <guillaume.anciaux@epfl.ch>
*
* @date Wed Jul 09 21:59:47 2014
*
* @brief Select atoms based on centro symmetry criterion
*
* @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.
*
*/
/* -------------------------------------------------------------------------- */
#include "filter_dislo.hh"
#include "compute_centro_symmetry.hh"
#include "lib_continuum.hh"
#include "lib_dd.hh"
#include "lib_md.hh"
#include "lm_common.hh"
#include "ref_point_data.hh"
/* -------------------------------------------------------------------------- */
__BEGIN_LIBMULTISCALE__
template <typename Cont> void FilterDislo::build(Cont &cont) {
auto &output =
this->getOutput("output").get<typename Cont::ContainerSubset>();
#ifndef LM_OPTIMIZED
constexpr UInt Dim = Cont::Dim;
LM_ASSERT(Dim == 3, "cannot work if not in 3D!");
#endif
output.clear();
compute.build(cont);
auto it = cont.begin();
auto end = cont.end();
auto it_centro = compute.evalArrayOutput().begin();
Real max = 0.0;
for (; it != end; ++it, ++it_centro) {
auto at = *it;
auto value = *it_centro;
if (value > epsilon[0] && value < epsilon[1]) {
output.push_back(at);
if (value > max)
max = value;
}
}
UInt nb = output.size();
DUMP("le filtre a trouve " << nb << " atoms et max = " << max
<< " threshold = " << epsilon,
DBG_MESSAGE);
}
/* -------------------------------------------------------------------------- */
/* LMDESC DISLO
This filter allows to extract a set of atoms based on the
centro-symmetry criterion (see compute \ref{computecentrosymmetry}).
*/
/* LMEXAMPLE FILTERDISLO -FEPSILON 0.5 */
/* LMHERITANCE compute_centro_symmetry */
void FilterDislo::declareParams() {
this->addSubParsableObject(compute);
/* LMKEYWORD EPSILON
Specifies the lower and upper bounds for the centrosymmetry. Only values
in the range {epsilon[0], epsilon[1]} are output by this filter
*/
this->parseVectorKeyword("EPSILON", 2, epsilon);
}
/* -------------------------------------------------------------------------- */
FilterDislo::FilterDislo(const std::string &name)
: LMObject(name), compute("ComputeCentroSymmetry:" + name) {
epsilon[0] = 0.0;
epsilon[1] = 1e300;
}
/* -------------------------------------------------------------------------- */
FilterDislo::~FilterDislo() {}
/* -------------------------------------------------------------------------- */
DECLARE_COMPUTE_MAKE_CALL(FilterDislo)
__END_LIBMULTISCALE__

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