script_interface/reaction_methods/SingleReaction.hpp

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/*
 * Copyright (C) 2021-2022 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/>.
 */
 
#ifndef SCRIPT_INTERFACE_REACTION_METHODS_SINGLE_REACTION_HPP
#define SCRIPT_INTERFACE_REACTION_METHODS_SINGLE_REACTION_HPP
 
#include "script_interface/ScriptInterface.hpp"
 
#include "core/reaction_methods/SingleReaction.hpp"
 
#include <memory>
#include <string>
#include <vector>
 
namespace ScriptInterface {
namespace ReactionMethods {
 
class SingleReaction : public AutoParameters<SingleReaction> {
public:
  SingleReaction() {
    add_parameters({
        {"nu_bar", AutoParameter::read_only, [this]() { return m_sr->nu_bar; }},
        {"gamma", AutoParameter::read_only, [this]() { return m_sr->gamma; }},
        {"reactant_types", AutoParameter::read_only,
         [this]() { return m_sr->reactant_types; }},
        {"reactant_coefficients", AutoParameter::read_only,
         [this]() { return m_sr->reactant_coefficients; }},
        {"product_types", AutoParameter::read_only,
         [this]() { return m_sr->product_types; }},
        {"product_coefficients", AutoParameter::read_only,
         [this]() { return m_sr->product_coefficients; }},
    });
  }
 
  void do_construct(VariantMap const &params) override {
    context()->parallel_try_catch([&]() {
      m_sr = std::make_shared<::ReactionMethods::SingleReaction>(
          get_value<double>(params, "gamma"),
          get_value<std::vector<int>>(params, "reactant_types"),
          get_value<std::vector<int>>(params, "reactant_coefficients"),
          get_value<std::vector<int>>(params, "product_types"),
          get_value<std::vector<int>>(params, "product_coefficients"));
    });
  }
 
  std::shared_ptr<::ReactionMethods::SingleReaction> get_reaction() {
    return m_sr;
  }
 
  Variant do_call_method(std::string const &name, VariantMap const &) override {
    if (name == "get_acceptance_rate") {
      return m_sr->get_acceptance_rate();
    }
    return {};
  }
 
private:
  std::shared_ptr<::ReactionMethods::SingleReaction> m_sr;
};
 
} /* namespace ReactionMethods */
} /* namespace ScriptInterface */
 
#endif