tChemBase.hpp

#ifndef ABLATELIBRARY_TCHEMBASE_HPP
#define ABLATELIBRARY_TCHEMBASE_HPP
 
#include <filesystem>
#include <map>
#include <memory>
#include "TChem_KineticModelData.hpp"
#include "chemistryModel.hpp"
#include "eos.hpp"
#include "eos/tChem/pressure.hpp"
#include "eos/tChem/sensibleEnthalpy.hpp"
#include "eos/tChem/sensibleInternalEnergy.hpp"
#include "eos/tChem/sourceCalculator.hpp"
#include "eos/tChem/speedOfSound.hpp"
#include "eos/tChem/temperature.hpp"
#include "monitors/logs/log.hpp"
#include "parameters/parameters.hpp"
#include "utilities/intErrorChecker.hpp"
#include "utilities/vectorUtilities.hpp"
 
namespace ablate::eos {
 
namespace tChemLib = TChem;
 
class TChemBase : public ChemistryModel {
   protected:
    tChem::SourceCalculator::ChemistryConstraints constraints;
 
    const std::filesystem::path mechanismFile;
 
    std::shared_ptr<ablate::monitors::logs::Log> log;
 
    tChemLib::KineticModelData kineticsModel;
 
    std::shared_ptr<tChemLib::KineticModelGasConstData<typename Tines::UseThisDevice<host_exec_space>::type>> kineticsModelDataHost;
 
    std::shared_ptr<tChemLib::KineticModelGasConstData<typename Tines::UseThisDevice<exec_space>::type>> kineticsModelDataDevice;
 
    std::vector<std::string> species;
 
    real_type_1d_view enthalpyReferenceDevice;
 
    real_type_1d_view_host enthalpyReferenceHost;
 
   public:
    explicit TChemBase(const std::string& eosName, std::filesystem::path mechanismFile, const std::shared_ptr<ablate::monitors::logs::Log>& = {},
                       const std::shared_ptr<ablate::parameters::Parameters>& options = {});
 
    void View(std::ostream& stream) const override;
 
    tChemLib::KineticModelData& GetKineticModelData() { return kineticsModel; }
 
    real_type_1d_view GetEnthalpyOfFormation() { return enthalpyReferenceDevice; };
 
    [[nodiscard]] const std::vector<std::string>& GetSpeciesVariables() const override { return species; }
 
    [[nodiscard]] virtual const std::vector<std::string>& GetProgressVariables() const override { return ablate::utilities::VectorUtilities::Empty<std::string>; }
 
    inline double GetEnthalpyOfFormation(std::string_view speciesName) const override {
        auto it = std::find_if(species.begin(), species.end(), [speciesName](const auto& component) { return component == speciesName; });
        // If element was found
        if (it != species.end()) {
            return enthalpyReferenceHost[std::distance(species.begin(), it)];
        } else {
            throw std::invalid_argument(std::string("Cannot locate species ") + std::string(speciesName) + " in EOS " + type);
        }
    }
 
   protected:
    static const inline std::array<std::string, 2> validFileExtensions = {".yaml", ".yml"};
 
    struct FunctionContext {
        // memory access locations for fields
        PetscInt dim;
        PetscInt eulerOffset;
        PetscInt densityYiOffset;
 
        real_type_2d_view_host stateHost;
        real_type_2d_view_host perSpeciesHost;
        real_type_1d_view_host mixtureHost;
 
        real_type_1d_view_host enthalpyReferenceHost;
 
        tChemLib::UseThisTeamPolicy<tChemLib::host_exec_space>::type policy;
 
        std::shared_ptr<tChemLib::KineticModelGasConstData<typename Tines::UseThisDevice<host_exec_space>::type>> kineticsModelDataHost;
    };
 
   public:
    // Private static helper functions
    inline const static double TREF = 298.15;
};
 
}  // namespace ablate::eos
#endif  // ABLATELIBRARY_TCHEMBASE_HPP