simple_acetate.hpp

 
#ifndef __SIMPLE_ACETATE_MODEL_HPP__
#define __SIMPLE_ACETATE_MODEL_HPP__
 
#include "Kokkos_Assert.hpp"
#include "Kokkos_Core_fwd.hpp"
#include "Kokkos_Macros.hpp"
#include "common/common.hpp"
#include "common/traits.hpp"
#include "mc/macros.hpp"
#include "models/fixed_length.hpp"
#include "models/utils.hpp"
#include <mc/prng/prng_extension.hpp>
#include <mc/traits.hpp>
#include <optional>
#include <string_view>
 
namespace Models
{
  // template <FloatingPointType F>
  // static F consteval
  // _get_phi_s_max(F density, F dl, F glucose_to_biomass_yield = 0.5)
  // {
  //   // dl and density must be same unit, dl*density -> mass and y is mass
  //   yield return (dl * density) / glucose_to_biomass_yield;
  // }
  struct SimpleAcetate
  {
    using uniform_weight = std::true_type;
    using Self = SimpleAcetate;
    using FloatType = float;
    using Config = std::nullopt_t;
 
    enum class particle_var : int // NOLINT
    {
      length = 0,
      l_max,
      a_p,
      a_max,
      // Export
      a_e,
      a_e_s,
      a_e_a,
      // Con
      phi_s,
      phi_a,
      __COUNT__
    };
 
    static constexpr std::size_t n_var
        = INDEX_FROM_ENUM(particle_var::__COUNT__);
 
    static constexpr std::string_view name = "simple_acetate";
    using SelfParticle = MC::ParticlesModel<Self::n_var, Self::FloatType>;
 
    MODEL_CONSTANT std::size_t N_N = 2;              // Number of species
    MODEL_CONSTANT FloatType a_max_m = 2e-6 / 3600.; // m
    MODEL_CONSTANT FloatType l_max_m = 2e-6;         // m
    MODEL_CONSTANT FloatType l_min_m = l_max_m / 2.; // m
    // MODEL_CONSTANT FloatType k = 1e-3;                 // m
    MODEL_CONSTANT FloatType d_m = 0.6e-6; // m
    MODEL_CONSTANT FloatType lin_density
        = c_linear_density(static_cast<FloatType>(1000), d_m);
 
    MODEL_CONSTANT FloatType k_s = 1e-3;
    MODEL_CONSTANT FloatType k_a = 1e-4;
    MODEL_CONSTANT Kokkos::Array<FloatType, N_N> k = { k_s, k_a };
 
    MODEL_CONSTANT FloatType y_s = 2;
    MODEL_CONSTANT FloatType y_a = 3;
    MODEL_CONSTANT Kokkos::Array<FloatType, N_N> y = { y_s, y_a };
 
    MODEL_CONSTANT FloatType phi_s_max
        = _get_phi_s_max<FloatType>(lin_density, a_max_m); // kgS/s
 
    MODEL_CONSTANT auto l_max_dist
        = MC::Distributions::TruncatedNormal<FloatType>(
            l_max_m, l_max_m / 10., l_max_m * 0.7, 1.3 * l_max_m);
 
    MODEL_CONSTANT auto l_dist = MC::Distributions::TruncatedNormal<FloatType>(
        l_max_m * 0.75, l_max_m / 10., 0.7 * l_min_m, l_max_m * 1.3);
 
    MC::ContribIndexBounds static get_bounds();
 
    // static Self::Config get_config(std::size_t n);
 
    KOKKOS_INLINE_FUNCTION static void init(const MC::pool_type& random_pool,
                                            std::size_t idx,
                                            const SelfParticle& arr);
 
    KOKKOS_INLINE_FUNCTION static MC::Status
    update(const MC::pool_type& random_pool,
           FloatType d_t,
           std::size_t idx,
           const SelfParticle& arr,
           const MC::LocalConcentration& c);
 
    KOKKOS_INLINE_FUNCTION static void
    division(const MC::pool_type& random_pool,
             std::size_t idx,
             std::size_t idx2,
             const SelfParticle& arr,
             const SelfParticle& buffer_arr);
 
    KOKKOS_INLINE_FUNCTION static double
    mass(std::size_t idx, const SelfParticle& arr)
    {
      return GET_PROPERTY(Self::particle_var::length) * lin_density;
    }
 
    static std::array<std::string_view, Self::n_var>
    names()
    {
      return {
        "length", "l_max", "a_p",   "a_max", "a_e",
        "a_e_s",  "a_e_a", "phi_s", "phi_a",
      };
    }
 
    // static std::vector<std::size_t>
    // get_number()
    // {
    //   return { INDEX_FROM_ENUM(particle_var::length) };
    // }
  };
 
  CHECK_MODEL(SimpleAcetate)
 
  KOKKOS_INLINE_FUNCTION void
  SimpleAcetate::init([[maybe_unused]] const MC::pool_type& random_pool,
                      std::size_t idx,
                      const SelfParticle& arr)
  {
 
    MODEL_CONSTANT auto a_max_dist
        = MC::Distributions::TruncatedNormal<FloatType>(
            a_max_m, a_max_m / 2., 0.5 * a_max_m, a_max_m * 1.5);
 
    static constexpr auto ld = l_dist;
    static constexpr auto lm = l_dist;
    auto gen = random_pool.get_state();
    GET_PROPERTY(particle_var::length) = ld.draw(gen);
    GET_PROPERTY(particle_var::l_max) = lm.draw(gen);
    GET_PROPERTY(particle_var::a_p) = a_max_m / 2.;
    GET_PROPERTY(particle_var::a_max) = a_max_dist.mean();
    random_pool.free_state(gen);
 
    GET_PROPERTY(particle_var::phi_s) = 0.;
  }
 
  KOKKOS_INLINE_FUNCTION MC::Status
  SimpleAcetate::update([[maybe_unused]] const MC::pool_type& random_pool,
                        FloatType d_t,
                        std::size_t idx,
                        const SelfParticle& arr,
                        const MC::LocalConcentration& c)
  {
    Kokkos::Array<FloatType, N_N> adm
        = { GET_PROPERTY(particle_var::a_max),
            GET_PROPERTY(particle_var::a_max) / 3 };
 
    Kokkos::Array<FloatType, N_N> D{};
 
    FloatType inv = 1. / (c[0] + k[0]);
    D[0] = adm[0] * c[0] * inv;
    inv = 1. / (c[1] + k[1]);
    D[1] = adm[1] * c[1] * inv;
 
    GET_PROPERTY(particle_var::a_e) = 0.;
    Kokkos::Array<FloatType, N_N> U{};
    U[0] = Kokkos::min(D[0], GET_PROPERTY(particle_var::a_p));
    GET_PROPERTY(particle_var::a_e) += U[0];
 
    const FloatType pa = D[0] - GET_PROPERTY(particle_var::a_p);
    const auto mask_pa = static_cast<FloatType>(pa < 0.F);
 
    U[1] = mask_pa * Kokkos::min(D[1], -pa) + (1 - mask_pa) * 0.F;
    GET_PROPERTY(particle_var::a_e) += U[1];
 
    GET_PROPERTY(particle_var::length) += d_t * GET_PROPERTY(particle_var::a_e);
 
    GET_PROPERTY(particle_var::a_e_s) = U[0];
    GET_PROPERTY(particle_var::a_e_a) = U[1];
 
    GET_PROPERTY(particle_var::phi_s) = -1 * D[0] * lin_density * y[0];
    GET_PROPERTY(particle_var::phi_a)
        = mask_pa * (-U[1] * lin_density * y[1])
          + (1.F - mask_pa) * (pa * lin_density * y[0] / y[1]);
 
    return check_div(GET_PROPERTY(Self::particle_var::length),
                     GET_PROPERTY(Self::particle_var::l_max));
  }
 
  KOKKOS_INLINE_FUNCTION void
  SimpleAcetate::division([[maybe_unused]] const MC::pool_type& random_pool,
                          std::size_t idx,
                          std::size_t idx2,
                          const SelfParticle& arr,
                          const SelfParticle& buffer_arr)
  {
    Kokkos::View<FloatType**,
                 Kokkos::LayoutRight,
                 Kokkos::MemoryTraits<Kokkos::MemoryTraitsFlags::Restrict>>
        buffer_e = buffer_arr;
 
    const FloatType current_l = GET_PROPERTY(particle_var::length);
    const FloatType new_current_length = current_l / 2.F;
    GET_PROPERTY(particle_var::length) = new_current_length;
    constexpr auto binf = INDEX_FROM_ENUM(particle_var::length);
    constexpr auto bsup = INDEX_FROM_ENUM(particle_var::a_e);
    for (auto i = binf; i < bsup; ++i)
    {
      COPY_PROPERTY_TO(i, idx2, buffer_e);
    }
 
    const auto current_a_e = GET_PROPERTY(particle_var::a_e);
    auto gen = random_pool.get_state();
 
    const double sigma = 0.2;
    const double average = Kokkos::log(current_a_e) - sigma * sigma / 2;
 
    const auto dist = MC::Distributions::LogNormal<double>(average, sigma);
    const auto gen1 = static_cast<FloatType>(dist.draw(gen));
    const auto gen2 = static_cast<FloatType>(dist.draw(gen));
 
    static constexpr auto local_l = l_max_dist;
    const FloatType lmax1 = local_l.draw(gen);
    const FloatType lmax2 = local_l.draw(gen);
 
    KOKKOS_ASSERT(gen1 != 0 && gen2 != 0);
 
    GET_PROPERTY(particle_var::a_p) = gen1;
    GET_PROPERTY_FROM(idx2, buffer_arr, particle_var::a_p) = gen2;
 
    GET_PROPERTY(particle_var::l_max) = lmax1;
    GET_PROPERTY_FROM(idx2, buffer_arr, particle_var::l_max) = lmax2;
 
    random_pool.free_state(gen);
  }
 
  inline MC::ContribIndexBounds
  SimpleAcetate::get_bounds()
  {
    int begin = INDEX_FROM_ENUM(Self::particle_var::phi_s);
    return { .begin = begin, .end = begin + 2 };
  }
 
} // namespace Models
 
#endif