chemistryModel.hpp

#ifndef ABLATELIBRARY_CHEMISTRYMODEL_HPP
#define ABLATELIBRARY_CHEMISTRYMODEL_HPP
 
#include <petsc.h>
#include <memory>
#include <string>
#include <utility>
#include <vector>
#include "eos/eos.hpp"
#include "solver/cellSolver.hpp"
#include "solver/solver.hpp"
 
namespace ablate::eos {
 
class ChemistryModel : public eos::EOS {
   public:
    explicit ChemistryModel(std::string name) : eos::EOS(std::move(name)){};
 
    class SourceCalculator {
       public:
        virtual ~SourceCalculator() = default;
        virtual void ComputeSource(const ablate::domain::Range& cellRange, PetscReal time, PetscReal dt, Vec solution) = 0;
 
        virtual void AddSource(const ablate::domain::Range& cellRange, Vec solution, Vec source) = 0;
    };
 
    virtual std::shared_ptr<SourceCalculator> CreateSourceCalculator(const std::vector<domain::Field>& fields, const ablate::domain::Range& cellRange) = 0;
 
    virtual std::vector<std::tuple<ablate::solver::CellSolver::SolutionFieldUpdateFunction, void*, std::vector<std::string>>> GetSolutionFieldUpdates() { return {}; }
 
    virtual inline double GetEnthalpyOfFormation(std::string_view speciesName) const { return {}; };
 
    [[nodiscard]] virtual std::map<std::string, double> GetSpeciesMolecularMass() const { return {}; };
 
    [[nodiscard]] virtual std::map<std::string, double> GetElementInformation() const { return {}; };
 
    [[nodiscard]] virtual std::map<std::string, std::map<std::string, int>> GetSpeciesElementalInformation() const { return {}; };
    struct ThermodynamicTemperatureMassFractionFunction {
        PetscErrorCode (*function)(const PetscReal conserved[], const PetscReal yi[], PetscReal T, PetscReal* property, void* ctx) = nullptr;
        std::shared_ptr<void> context = nullptr;
        PetscInt propertySize = 1;
    };
 
    [[nodiscard]] virtual ThermodynamicTemperatureMassFractionFunction GetThermodynamicTemperatureMassFractionFunction(ThermodynamicProperty property, const std::vector<domain::Field>& fields) const {
        return {};
    };
};
}  // namespace ablate::eos
 
#endif  // ABLATELIBRARY_CHEMISTRYMODEL_HPP