deriv_adapter.hpp

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#pragma once
 
#include "teqp/derivs.hpp"
#include "teqp/cpp/teqpcpp.hpp"
#include "teqp/exceptions.hpp"
 
#if defined(TEQP_MULTIPRECISION_ENABLED)
// Imports from boost
#include <boost/multiprecision/cpp_bin_float.hpp>
using namespace boost::multiprecision;
#include "teqp/finite_derivs.hpp"
#endif
 
namespace teqp{
namespace cppinterface{
namespace adapter{
 
template<typename ModelType>
struct Owner{
private:
    ModelType model;
public:
    auto& get_ref(){ return model; };
    const auto& get_cref() const { return model; };
    const std::type_index index;
    Owner(ModelType&& m) : model(m), index(std::type_index(typeid(ModelType))) {};
};
 
template<typename ModelType>
struct ConstViewer{
private:
    const ModelType& model;
public:
    auto& get_ref(){ return model; };
    const auto& get_cref() const { return model; };
    const std::type_index index;
    ConstViewer(ModelType& m) : model(m), index(std::type_index(typeid(ModelType))) {};
};
 
template<typename... Funcs>
class OwnershipSummer{
public:
    std::tuple<Funcs...> contributions;
    OwnershipSummer(Funcs && ...f) : contributions(std::forward<Funcs>(f)...){};
    
    auto& get_ref(){ return *this; };
    const auto& get_cref() const { return *this; };
    const std::type_index index;
    
    template<typename MoleFracType>
    auto R(const MoleFracType& molefrac){
        return std::get<0>(contributions).R(molefrac);
    }
    
    template<typename TType, typename RhoType, typename MoleFracType>
    auto alphar(const TType& T, const RhoType& rhomolar, const MoleFracType& molefrac) const {
        auto sum_func = [&T, &rhomolar, &molefrac](auto const&... e)->decltype(auto) {
            return (e.alphar(T, rhomolar, molefrac)+...);
        };
        return std::apply(sum_func, contributions);
    }
};
 
template <typename... Args>
OwnershipSummer<Args...> make_OwnershipSummer(Args&&... args)
{
    return OwnershipSummer<Args...>(std::forward<Args>(args)...);
}
 
namespace internal{
    template<class T>struct tag{using type=T;};
}
 
template<typename ModelPack>
class DerivativeAdapter : public teqp::cppinterface::AbstractModel{
private:
    ModelPack mp;
public:
    auto& get_ModelPack_ref(){ return mp; }
    const auto& get_ModelPack_cref() const { return mp; }
    
    template<typename T>
    DerivativeAdapter(internal::tag<T> /*tag_*/, const T&& mp): mp(mp) {} 
    
    const std::type_index& get_type_index() const override {
        return mp.index;
    };
    
//    template<typename T>
//    DerivativeAdapter(const Owner<T>&& mp): mp(mp) {} ;
//
//    template<typename T>
//    DerivativeAdapter(const ConstViewer<T>&& mp): mp(mp) {} ;
    
    virtual double get_R(const EArrayd& molefrac) const override {
        return mp.get_cref().R(molefrac);
    };
    
    virtual double get_Arxy(const int NT, const int ND, const double T, const double rhomolar, const EArrayd& molefrac) const override{
        return TDXDerivatives<decltype(mp.get_cref()), double, EArrayd>::get_Ar(NT, ND, mp.get_cref(), T, rhomolar, molefrac);
    };
    
    // Here X-Macros are used to create functions like get_Ar00, get_Ar01, ....
#define X(i,j) virtual double get_Ar ## i ## j(const double T, const double rho, const REArrayd& molefrac) const  override { return TDXDerivatives<decltype(mp.get_cref()), double, EArrayd>::template get_Arxy<i,j>(mp.get_cref(), T, rho, molefrac); };
    ARXY_args
#undef X
    // And like get_Ar01n, get_Ar02n, ....
#define X(i) virtual EArrayd get_Ar0 ## i ## n(const double T, const double rho, const REArrayd& molefrac) const  override { auto vals = TDXDerivatives<decltype(mp.get_cref()), double, EArrayd>::template get_Ar0n<i>(mp.get_cref(), T, rho, molefrac); return Eigen::Map<Eigen::ArrayXd>(&(vals[0]), vals.size()); };
    AR0N_args
#undef X
    // And like get_Ar10n, get_Ar20n, ....
#define X(i) virtual EArrayd get_Ar ## i ## 0n(const double T, const double rho, const REArrayd& molefrac) const  override { auto vals = TDXDerivatives<decltype(mp.get_cref()), double, EArrayd>::template get_Arn0<i>(mp.get_cref(), T, rho, molefrac); return Eigen::Map<Eigen::ArrayXd>(&(vals[0]), vals.size()); };
    ARN0_args
#undef X
    
    virtual double get_Ar01ep(const double T, const double rho, const EArrayd& molefrac) const  override {
        using namespace boost::multiprecision;
        using my_float_t = number<cpp_bin_float<100U>>;
        auto f = [&](const auto& rhoep){
            return mp.get_cref().alphar(T, rhoep, molefrac);
        };
        return rho*static_cast<double>(centered_diff<1,4>(f, static_cast<my_float_t>(rho), 1e-16*static_cast<my_float_t>(rho)));
    }
    virtual double get_Ar02ep(const double T, const double rho, const EArrayd& molefrac) const  override {
        using namespace boost::multiprecision;
        using my_float_t = number<cpp_bin_float<100U>>;
        auto f = [&](const auto& rhoep){
            return mp.get_cref().alphar(T, rhoep, molefrac);
        };
        return rho*rho*static_cast<double>(centered_diff<2,4>(f, static_cast<my_float_t>(rho), 1e-16*static_cast<my_float_t>(rho)));
    }
    virtual double get_Ar03ep(const double T, const double rho, const EArrayd& molefrac) const  override {
        using namespace boost::multiprecision;
        using my_float_t = number<cpp_bin_float<100U>>;
        auto f = [&](const auto& rhoep){
            return mp.get_cref().alphar(T, rhoep, molefrac);
        };
        return rho*rho*rho*static_cast<double>(centered_diff<3,4>(f, static_cast<my_float_t>(rho), 1e-16*static_cast<my_float_t>(rho)));
    }
    
    // Virial derivatives
    virtual double get_B2vir(const double T, const EArrayd& z) const override {
        return VirialDerivatives<decltype(mp.get_cref()), double, EArrayd>::get_B2vir(mp.get_cref(), T, z);
    };
    virtual std::map<int, double> get_Bnvir(const int Nderiv, const double T, const EArrayd& z) const override {
        return VirialDerivatives<decltype(mp.get_cref()), double, EArrayd>::get_Bnvir_runtime(Nderiv, mp.get_cref(), T, z);
    };
    virtual double get_B12vir(const double T, const EArrayd& z) const override {
        return VirialDerivatives<decltype(mp.get_cref()), double, EArrayd>::get_B12vir(mp.get_cref(), T, z);
    };
    virtual double get_dmBnvirdTm(const int Nderiv, const int NTderiv, const double T, const EArrayd& molefrac) const override {
        return VirialDerivatives<decltype(mp.get_cref()), double, EArrayd>::get_dmBnvirdTm_runtime(Nderiv, NTderiv, mp.get_cref(), T, molefrac);
    };
    
    // Composition derivatives with temperature and density as the working variables
    virtual double get_ATrhoXi(const double T, const int NT, const double rhomolar, const int ND, const EArrayd& molefrac, const int i, const int NXi) const override {
        return TDXDerivatives<decltype(mp.get_cref()), double, EArrayd>::get_ATrhoXi_runtime(mp.get_cref(), T, NT, rhomolar, ND, molefrac, i, NXi);
    };
    virtual double get_ATrhoXiXj(const double T, const int NT, const double rhomolar, const int ND, const EArrayd& molefrac, const int i, const int NXi, const int j, const int NXj) const override {
        return TDXDerivatives<decltype(mp.get_cref()), double, EArrayd>::get_ATrhoXiXj_runtime(mp.get_cref(), T, NT, rhomolar, ND, molefrac, i, NXi, j, NXj);
    };
    virtual double get_ATrhoXiXjXk(const double T, const int NT, const double rhomolar, const int ND, const EArrayd& molefrac, const int i, const int NXi, const int j, const int NXj, const int k, const int NXk) const override {
        return TDXDerivatives<decltype(mp.get_cref()), double, EArrayd>::get_ATrhoXiXjXk_runtime(mp.get_cref(), T, NT, rhomolar, ND, molefrac, i, NXi, j, NXj, k, NXk);
    };
    
    // Composition derivatives with tau and delta as the working variables
    virtual double get_AtaudeltaXi(const double tau, const int NT, const double delta, const int ND, const EArrayd& molefrac, const int i, const int NXi) const override {
        return TDXDerivatives<decltype(mp.get_cref()), double, EArrayd>::get_AtaudeltaXi_runtime(mp.get_cref(), tau, NT, delta, ND, molefrac, i, NXi);
    };
    virtual double get_AtaudeltaXiXj(const double tau, const int NT, const double delta, const int ND, const EArrayd& molefrac, const int i, const int NXi, const int j, const int NXj) const override {
        return TDXDerivatives<decltype(mp.get_cref()), double, EArrayd>::get_AtaudeltaXiXj_runtime(mp.get_cref(), tau, NT, delta, ND, molefrac, i, NXi, j, NXj);
    };
    virtual double get_AtaudeltaXiXjXk(const double tau, const int NT, const double delta, const int ND, const EArrayd& molefrac, const int i, const int NXi, const int j, const int NXj, const int k, const int NXk) const override {
        return TDXDerivatives<decltype(mp.get_cref()), double, EArrayd>::get_AtaudeltaXiXjXk_runtime(mp.get_cref(), tau, NT, delta, ND, molefrac, i, NXi, j, NXj, k, NXk);
    };
    
    // Derivatives from isochoric thermodynamics (all have the same signature within each block), and they differ by their output argument
#define X(f) virtual double f(const double T, const EArrayd& rhovec) const override { return IsochoricDerivatives<decltype(mp.get_cref()), double, EArrayd>::f(mp.get_cref(), T, rhovec); };
    ISOCHORIC_double_args
#undef X
#define X(f) virtual EArrayd f(const double T, const EArrayd& rhovec) const override { return IsochoricDerivatives<decltype(mp.get_cref()), double, EArrayd>::f(mp.get_cref(), T, rhovec); };
    ISOCHORIC_array_args
#undef X
#define X(f) virtual EMatrixd f(const double T, const EArrayd& rhovec) const override { return IsochoricDerivatives<decltype(mp.get_cref()), double, EArrayd>::f(mp.get_cref(), T, rhovec); };
    ISOCHORIC_matrix_args
#undef X
#define X(f) virtual std::tuple<double, Eigen::ArrayXd, Eigen::MatrixXd> f(const double T, const EArrayd& rhovec) const override { return IsochoricDerivatives<decltype(mp.get_cref()), double, EArrayd>::f(mp.get_cref(), T, rhovec); };
    ISOCHORIC_multimatrix_args
#undef X
    virtual Eigen::ArrayXd get_Psir_sigma_derivs(const double T, const EArrayd& rhovec, const EArrayd& v) const override{
        return IsochoricDerivatives<decltype(mp.get_cref()), double, EArrayd>::get_Psir_sigma_derivs(mp.get_cref(), T, rhovec, v);
    };
    
    virtual EArray33d get_deriv_mat2(const double T, double rho, const EArrayd& z ) const override {
        return DerivativeHolderSquare<2>(mp.get_cref(), T, rho, z).derivs;
    };
};
 
template<typename TemplatedModel> auto view(const TemplatedModel& tp){
    ConstViewer cv{tp};
    return new DerivativeAdapter<decltype(cv)>(internal::tag<decltype(cv)>{}, std::move(cv));
}
template<typename TemplatedModel> auto own(const TemplatedModel&& tp){
    Owner o(std::move(tp));
    return new DerivativeAdapter<decltype(o)>(internal::tag<decltype(o)>{}, std::move(o));
}
 
template<typename TemplatedModel> auto make_owned(const TemplatedModel& tmodel){
    using namespace teqp::cppinterface;
    return std::unique_ptr<AbstractModel>(own(std::move(tmodel)));
};
 
template<typename TemplatedModel> auto make_cview(const TemplatedModel& tmodel){
    using namespace teqp::cppinterface;
    return std::unique_ptr<AbstractModel>(view(tmodel));
};
 
template<typename ModelType>
const ModelType& get_model_cref(const AbstractModel *am)
{
    if (am == nullptr){
        throw teqp::InvalidArgument("Argument to get_model_cref is a nullptr");
    }
    const auto* mptr = dynamic_cast<const DerivativeAdapter<ConstViewer<const ModelType>>*>(am);
    const auto* mptr2 = dynamic_cast<const DerivativeAdapter<Owner<const ModelType>>*>(am);
    if (mptr != nullptr){
        return mptr->get_ModelPack_cref().get_cref();
    }
    else if (mptr2 != nullptr){
        return mptr2->get_ModelPack_cref().get_cref();
    }
    else{
        throw teqp::InvalidArgument("Unable to cast model to desired type");
    }
}
 
template<typename ModelType>
ModelType& get_model_ref(AbstractModel *am)
{
    if (am == nullptr){
        throw teqp::InvalidArgument("Argument to get_model_ref is a nullptr");
    }
    auto* mptr2 = dynamic_cast<DerivativeAdapter<Owner<ModelType>>*>(am);
    if (mptr2 != nullptr){
        return mptr2->get_ModelPack_ref().get_ref();
    }
    else{
        throw teqp::InvalidArgument("Unable to cast model to desired type; only the Owner ownership model is allowed");
    }
}
 
}
}
}