LBVelocityProfile.cpp

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/*
 * Copyright (C) 2010-2022 The ESPResSo project
 *
 * This file is part of ESPResSo.
 *
 * ESPResSo is free software: you can redistribute it and/or modify
 * it under the terms of the GNU General Public License as published by
 * the Free Software Foundation, either version 3 of the License, or
 * (at your option) any later version.
 *
 * ESPResSo is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU General Public License for more details.
 *
 * You should have received a copy of the GNU General Public License
 * along with this program.  If not, see <http://www.gnu.org/licenses/>.
 */
#include "LBVelocityProfile.hpp"
 
#include "system/System.hpp"
#include "utils_histogram.hpp"
 
#include <utils/Histogram.hpp>
#include <utils/Vector.hpp>
 
#include <stdexcept>
#include <vector>
 
namespace Observables {
 
std::vector<double>
LBVelocityProfile::operator()(boost::mpi::communicator const &comm) const {
  auto &system = System::get_system();
  auto &lb = system.lb;
  lb.ghost_communication_vel();
 
  if (lb_sanity_checks.mismatch(*system.box_geo, lb)) {
    calculate_sampling_positions(*system.box_geo, lb);
  }
  auto velocities = lb.get_coupling_interpolated_velocities(sampling_positions);
 
  auto const [global_positions, global_velocities] =
      detail::gather(comm, sampling_positions, velocities);
 
  if (comm.rank() != 0) {
    return {};
  }
 
  Utils::Histogram<double, 3> histogram(n_bins(), limits());
  detail::accumulate(histogram, global_positions, global_velocities);
  try {
    return detail::normalize_by_bin_size(histogram, allow_empty_bins);
  } catch (detail::empty_bin_exception const &) {
    throw std::runtime_error(
        "Decrease sampling delta(s), some bins have no hit");
  }
}
 
} // namespace Observables