Polymer.cpp

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/*
 * Copyright (C) 2013-2022 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 "Polymer.hpp"
 
#include "script_interface/Variant.hpp"
#include "script_interface/get_value.hpp"
 
#include "core/polymer.hpp"
#include "core/system/System.hpp"
 
#include <utils/Vector.hpp>
 
#include <string>
#include <vector>
 
namespace ScriptInterface {
namespace Particles {
 
Variant Polymer::do_call_method(std::string const &name,
                                VariantMap const &parameters) {
  if (name == "draw_polymer_positions") {
    Variant output;
    context()->parallel_try_catch([&]() {
      auto const positions = draw_polymer_positions(
          System::get_system(), get_value<int>(parameters, "n_polymers"),
          get_value<int>(parameters, "beads_per_chain"),
          get_value<double>(parameters, "bond_length"),
          get_value<std::vector<Utils::Vector3d>>(parameters,
                                                  "start_positions"),
          get_value<double>(parameters, "min_distance"),
          get_value<int>(parameters, "max_tries"),
          get_value<bool>(parameters, "use_bond_angle"),
          get_value_or<double>(parameters, "bond_angle", 0.),
          get_value<bool>(parameters, "respect_constraints"),
          get_value<int>(parameters, "seed"));
      std::vector<Variant> pack;
      for (auto const &chain : positions) {
        pack.emplace_back(make_vector_of_variants(chain));
      }
      output = Variant{pack};
    });
    return output;
  }
  return {};
}
 
} // namespace Particles
} // namespace ScriptInterface