adimensional_system_solution.hpp
1af9208c7a4cconfiguration

adimensional_system_solution.hpp
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			#ifndef SPECMICP_SPECMICP_ADIMENSIONALSYSTEMSOLUTION_HPP
			#define SPECMICP_SPECMICP_ADIMENSIONALSYSTEMSOLUTION_HPP

			#include "common.hpp"

			//! \file adimensional_system_solution.hpp Structure to contain the solution returned by AdimensionalSystemSolution

			namespace specmicp {

			//! \brief Solution of an adimensional system
			struct AdimensionalSystemSolution
			{
			Vector main_variables; //!< The main variables
			Vector secondary_molalities; //!< Molalities of secondary aqueous
			Vector log_gamma; //!< Log_10 of activities coefficients
			scalar_t ionic_strength; //!< Ionic strength
			Vector gas_fugacities; //!< Gas fugacities
			Vector sorbed_molalities; //!< Sorbed molalities
			scalar_t inert_volume_fraction; //!< Inert volume fraction
			bool is_valid; //!< True if this is a valid solution

			AdimensionalSystemSolution():
			is_valid(false)
			{}

			AdimensionalSystemSolution(
			const Vector& variables,
			const Vector& aqueous_molalities,
			const Vector& loggama,
			scalar_t the_ionic_strength,
			const Vector& fugacities,
			const Vector& sorbed_species_molalities,
			scalar_t the_inert_volume_fraction=0.0
			):
			main_variables(variables),
			secondary_molalities(aqueous_molalities),
			log_gamma(loggama),
			ionic_strength(the_ionic_strength),
			gas_fugacities(fugacities),
			sorbed_molalities(sorbed_species_molalities),
			inert_volume_fraction(the_inert_volume_fraction),
			is_valid(true)

			{}

			};

			} // end namespace specmicp

			#endif // SPECMICP_SPECMICP_ADIMENSIONALSYSTEMSOLUTION_HPP