script_interface/collision_detection/BindCenters.hpp

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/*
 * Copyright (C) 2021-2024 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/>.
 */
 
#pragma once
 
#include <config/config.hpp>
 
#ifdef ESPRESSO_COLLISION_DETECTION
 
#include "Protocol.hpp"
 
#include "core/collision_detection/BindCenters.hpp"
 
#include "script_interface/ScriptInterface.hpp"
#include "script_interface/auto_parameters/AutoParameters.hpp"
 
#include <memory>
#include <variant>
 
namespace ScriptInterface::CollisionDetection {
 
class BindCenters : public Protocol {
  using CoreClass = ::CollisionDetection::BindCenters;
 
public:
  BindCenters() {
    add_parameters(
        {{"bond_centers", AutoParameter::read_only,
          [this]() {
            return get_bond_variant_by_id(
                std::get<CoreClass>(*m_protocol).bond_centers);
          }},
         {"_bond_centers", AutoParameter::read_only,
          [this]() { return std::get<CoreClass>(*m_protocol).bond_centers; }},
         {"distance", AutoParameter::read_only,
          [this]() { return std::get<CoreClass>(*m_protocol).distance; }}});
  }
  std::shared_ptr<::CollisionDetection::ActiveProtocol> protocol() override {
    return m_protocol;
  }
 
private:
  std::shared_ptr<::CollisionDetection::ActiveProtocol> m_protocol;
 
protected:
  void do_initialize(VariantMap const &params) override {
    auto const bond_center = find_bond_id(params.contains("_bond_centers")
                                              ? params.at("_bond_centers")
                                              : params.at("bond_centers"));
    m_protocol = std::make_shared<::CollisionDetection::ActiveProtocol>(
        CoreClass(get_value<double>(params, "distance"), bond_center));
  }
};
 
} // namespace ScriptInterface::CollisionDetection
 
#endif // ESPRESSO_COLLISION_DETECTION