composition_abstract.h

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#pragma once
 
#include "fourdst/atomic/atomicSpecies.h"
#include "fourdst/composition/iterators/composition_abstract_iterator.h"
 
#include <string>
#include <unordered_map>
#include <set>
#include <vector>
#include <memory>
 
namespace fourdst::composition {
    class CompositionAbstract {
    public:
        using iterator = detail::CompositionIterator<false>;
        using const_iterator = detail::CompositionIterator<true>;
        virtual ~CompositionAbstract() = default;

        [[nodiscard]] virtual bool contains(const fourdst::atomic::Species& species) const noexcept = 0;

        [[nodiscard]] virtual bool contains(const std::string& symbol) const = 0;
 
        [[nodiscard]] virtual size_t size() const noexcept = 0;

        [[nodiscard]] virtual std::set<std::string> getRegisteredSymbols() const noexcept = 0;

        [[nodiscard]] virtual const std::vector<atomic::Species> &getRegisteredSpecies() const noexcept = 0;

        [[nodiscard]] virtual std::unordered_map<fourdst::atomic::Species, double> getMassFraction() const noexcept = 0;

        [[nodiscard]] virtual std::unordered_map<fourdst::atomic::Species, double> getNumberFraction() const noexcept = 0;

        [[nodiscard]] virtual double getMassFraction(const std::string& symbol) const = 0;

        [[nodiscard]] virtual double getMassFraction(const fourdst::atomic::Species& species) const = 0;

        [[nodiscard]] virtual double getNumberFraction(const std::string& symbol) const = 0;

        [[nodiscard]] virtual double getNumberFraction(const fourdst::atomic::Species& species) const = 0;

        [[nodiscard]] virtual double getMolarAbundance(const std::string& symbol) const = 0;

        [[nodiscard]] virtual double getMolarAbundance(const fourdst::atomic::Species& species) const = 0;

        [[nodiscard]] virtual double getMeanParticleMass() const noexcept = 0;

        [[nodiscard]] virtual double getElectronAbundance() const noexcept = 0;

        [[nodiscard]] virtual std::vector<double> getMassFractionVector() const noexcept = 0;

        [[nodiscard]] virtual std::vector<double> getNumberFractionVector() const noexcept = 0;

        [[nodiscard]] virtual std::vector<double> getMolarAbundanceVector() const noexcept = 0;

        [[nodiscard]] virtual size_t getSpeciesIndex(const std::string& symbol) const = 0;

        [[nodiscard]] virtual size_t getSpeciesIndex(const fourdst::atomic::Species& species) const = 0;

        [[nodiscard]] virtual atomic::Species getSpeciesAtIndex(size_t index) const = 0;
 
        [[nodiscard]] virtual std::unique_ptr<CompositionAbstract> clone() const = 0;
 
        [[nodiscard]] virtual iterator begin() = 0;
        [[nodiscard]] virtual iterator end() = 0;
        [[nodiscard]] virtual const_iterator begin() const = 0;
        [[nodiscard]] virtual const_iterator end() const = 0;
 
        [[nodiscard]] virtual std::size_t hash() const = 0;
    };
 
    // ReSharper disable once CppClassCanBeFinal
}