utils.h

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#pragma once
 
#include "fourdst/composition/composition.h"
#include "fourdst/atomic/atomicSpecies.h"
 
#include <vector>
#include <optional>
#include <string>
 
namespace fourdst::composition {
    Composition buildCompositionFromMassFractions(
        const std::vector<std::string>& symbols,
        const std::vector<double>& massFractions
    );

    Composition buildCompositionFromMassFractions(
        const std::vector<atomic::Species>& species,
        const std::vector<double>& massFractions
    );

    Composition buildCompositionFromMassFractions(
        const std::set<atomic::Species>& species,
        const std::vector<double>& massFractions
    );

    Composition buildCompositionFromMassFractions(
        const std::unordered_map<atomic::Species, double>& massFractionsMap
    );

    Composition buildCompositionFromMassFractions(
        const std::unordered_map<std::string, double>& massFractions
    );

    Composition buildCompositionFromMassFractions(
        std::map<atomic::Species, double> massFractions
    );

    Composition buildCompositionFromMassFractions(
        std::map<std::string, double> massFractions
    );
 
    std::optional<fourdst::atomic::Species> getSpecies(const std::string& symbol);
}