cl_Material_Abundance.hpp

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/*
 * BELFEM -- The Berkeley Lab Finite Element Framework
 * Copyright (c) 2026, The Regents of the University of California,
 * through Lawrence Berkeley National Laboratory (subject to receipt of any required
 * approvals from the U.S. Dept. of Energy).  All rights reserved.
 *
 * Developers: Christian Messe, Gregory Giard
 *
 * See the top-level LICENSE file for the complete license and disclaimer.
 */
 
#ifndef BELFEM_CL_MATERIAL_ABUNDANCE_HPP
#define BELFEM_CL_MATERIAL_ABUNDANCE_HPP

 
#include "typedefs.hpp"
#include "cl_Map.hpp"
#include "cl_Vector.hpp"
#include "cl_Cell.hpp"
 
namespace belfem
{
    namespace material
    {
        typedef std::pair< Vector< real >, Vector< real  > > AbundanceEntry ;

        class Abundance
        {
            Map< string, AbundanceEntry > mDatabase ;
 
        public:

            Abundance();
 
            ~Abundance() = default;

            void
            compute_molar_mass_and_impurity_from_volumes(
                const Cell< string > & aElements,
                const Vector< real > & aVolumeFractions,
                  real & aMolarMass,
                  real & aImpurity ) const;

            void
            compute_molar_mass_and_impurity_from_masses(
               const Cell< string > & aElements,
               const Vector< real > & aMassFractions,
                 real & aMolarMass,
                 real & aImpurity ) const;

            real
            compute_molar_mass(
                const string & aElement ) const;
 
        };
    }
}
#endif //BELFEM_CL_MATERIAL_ABUNDANCE_HPP