composition_reaction.h

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// ------------------------------------------------------
//
// SPDX-License-Identifier: GPL-2.0-or-later
//
// SPDX-FileCopyrightText: Copyright (C) 2015-2026 by the ASPECT authors.
//
// This file is part of ASPECT.
//
// Detailed license information governing the source code and
// contributions can be found in the folder LICENSES and in
// LICENSE and CONTRIBUTING.md at the top level directory.
//
// ------------------------------------------------------

#ifndef _aspect_particle_property_composition_reaction_h
#define _aspect_particle_property_composition_reaction_h

#include <aspect/particle/property/interface.h>
#include <aspect/simulator_access.h>
#include <aspect/utilities.h>

#include <deal.II/base/parsed_function.h>

namespace aspect
{
  namespace Particle
  {
    namespace Property
    {
      template <int dim>
      class CompositionReaction : public Interface<dim>, public SimulatorAccess<dim>
      {
        public:
          void
          initialize_one_particle_property (const Point<dim> &position,
                                            std::vector<double> &particle_properties) const override;

          void
          update_particle_properties (const ParticleUpdateInputs<dim> &inputs,
                                      typename ParticleHandler<dim>::particle_iterator_range &particles) const override;

          InitializationModeForLateParticles
          late_initialization_mode () const override;

          AdvectionField
          advection_field_for_boundary_initialization(const unsigned int property_component) const override;

          UpdateTimeFlags
          need_update () const override;

          std::vector<std::pair<std::string, unsigned int>>
          get_property_information() const override;

          static
          void
          declare_parameters (ParameterHandler &prm);

          void
          parse_parameters (ParameterHandler &prm) override;

        private:
          std::unique_ptr<Functions::ParsedFunction<dim>> reaction_area;

          Utilities::Coordinates::CoordinateSystem coordinate_system;

          std::unique_ptr<Functions::ParsedFunction<2>> reaction_rate;

          std::vector<unsigned int> reactant_indices;
          std::vector<unsigned int> product_indices;

          std::vector<double> reaction_times;

          constexpr static unsigned int background_index = numbers::invalid_unsigned_int;
      };
    }
  }
}

#endif