script_interface/observables/CylindricalLBProfileObservable.hpp

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/*
 * Copyright (C) 2010-2022 The ESPResSo project
 * Copyright (C) 2002,2003,2004,2005,2006,2007,2008,2009,2010
 *   Max-Planck-Institute for Polymer Research, Theory Group
 *
 * 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_OBSERVABLES_CYLINDRICALLBPROFILEOBSERVABLE_HPP
#define SCRIPT_INTERFACE_OBSERVABLES_CYLINDRICALLBPROFILEOBSERVABLE_HPP
 
#include "script_interface/auto_parameters/AutoParameters.hpp"
 
#include "Observable.hpp"
#include "core/observables/CylindricalLBProfileObservable.hpp"
#include "script_interface/get_value.hpp"
 
#include "script_interface/math/CylindricalTransformationParameters.hpp"
 
#include <algorithm>
#include <cstddef>
#include <iterator>
#include <memory>
#include <numbers>
#include <string>
#include <type_traits>
#include <vector>
 
namespace ScriptInterface {
namespace Observables {
 
template <typename CoreCylLBObs>
class CylindricalLBProfileObservable
    : public AutoParameters<CylindricalLBProfileObservable<CoreCylLBObs>,
                            Observable> {
  using Base =
      AutoParameters<CylindricalLBProfileObservable<CoreCylLBObs>, Observable>;
 
public:
  static_assert(std::is_base_of_v<::Observables::CylindricalLBProfileObservable,
                                  CoreCylLBObs>);
  using Base::Base;
  CylindricalLBProfileObservable() {
    this->add_parameters({
        {"transform_params", m_transform_params},
        {"n_r_bins", AutoParameter::read_only,
         [this]() {
           return static_cast<int>(
               cylindrical_profile_observable()->n_bins()[0]);
         }},
        {"n_phi_bins", AutoParameter::read_only,
         [this]() {
           return static_cast<int>(
               cylindrical_profile_observable()->n_bins()[1]);
         }},
        {"n_z_bins", AutoParameter::read_only,
         [this]() {
           return static_cast<int>(
               cylindrical_profile_observable()->n_bins()[2]);
         }},
        {"min_r", AutoParameter::read_only,
         [this]() {
           return cylindrical_profile_observable()->limits()[0].first;
         }},
        {"min_phi", AutoParameter::read_only,
         [this]() {
           return cylindrical_profile_observable()->limits()[1].first;
         }},
        {"min_z", AutoParameter::read_only,
         [this]() {
           return cylindrical_profile_observable()->limits()[2].first;
         }},
        {"max_r", AutoParameter::read_only,
         [this]() {
           return cylindrical_profile_observable()->limits()[0].second;
         }},
        {"max_phi", AutoParameter::read_only,
         [this]() {
           return cylindrical_profile_observable()->limits()[1].second;
         }},
        {"max_z", AutoParameter::read_only,
         [this]() {
           return cylindrical_profile_observable()->limits()[2].second;
         }},
        {"sampling_density", AutoParameter::read_only,
         [this]() {
           return cylindrical_profile_observable()->sampling_density;
         }},
    });
  }
 
  void do_construct(VariantMap const &params) override {
    set_from_args(m_transform_params, params, "transform_params");
 
    if (m_transform_params) {
      ObjectHandle::context()->parallel_try_catch([&]() {
        m_observable = std::make_shared<CoreCylLBObs>(
            m_transform_params->cyl_transform_params(),
            get_value_or<int>(params, "n_r_bins", 1),
            get_value_or<int>(params, "n_phi_bins", 1),
            get_value_or<int>(params, "n_z_bins", 1),
            get_value_or<double>(params, "min_r", 0.),
            get_value<double>(params, "max_r"),
            get_value_or<double>(params, "min_phi", -std::numbers::pi),
            get_value_or<double>(params, "max_phi", std::numbers::pi),
            get_value<double>(params, "min_z"),
            get_value<double>(params, "max_z"),
            get_value<double>(params, "sampling_density"));
      });
    }
  }
 
  Variant do_call_method(std::string const &method,
                         VariantMap const &parameters) override {
    if (method == "edges") {
      std::vector<Variant> variant_edges;
      std::ranges::copy(cylindrical_profile_observable()->edges(),
                        std::back_inserter(variant_edges));
      return variant_edges;
    }
    return Base::do_call_method(method, parameters);
  }
 
  std::shared_ptr<::Observables::Observable> observable() const override {
    return m_observable;
  }
 
  virtual std::shared_ptr<::Observables::CylindricalLBProfileObservable>
  cylindrical_profile_observable() const {
    return m_observable;
  }
 
private:
  std::shared_ptr<CoreCylLBObs> m_observable;
  std::shared_ptr<Math::CylindricalTransformationParameters> m_transform_params;
};
 
} /* namespace Observables */
} /* namespace ScriptInterface */
 
#endif