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adimensional_system_solution_extractor.hpp
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			#ifndef SPECMICP_SPECMICP_ADIMENSIONALSYSTEMSOLUTIONEXTRACTOR_HPP
			#define SPECMICP_SPECMICP_ADIMENSIONALSYSTEMSOLUTIONEXTRACTOR_HPP

			#include "common.hpp"
			#include "database.hpp"
			#include "adimensional_system_solution.hpp"
			#include "physics/units.hpp"

			namespace specmicp {

			class AdimensionalSystemSolutionExtractor: public units::UnitBaseClass
			{
			public:
			// public members
			// ###############

			AdimensionalSystemSolutionExtractor(
			const AdimensionalSystemSolution& solution,
			RawDatabasePtr thedatabase,
			units::UnitsSet units_set):
			units::UnitBaseClass(units_set),
			m_solution(solution),
			m_data(thedatabase)
			{}


			// Primary variables
			// =================

			// water
			// ------

			//! \brief Return the total saturation of water
			scalar_t total_saturation_water() {
			return m_solution.main_variables(id_water());}

			// component
			// ---------

			//! \brief Return the log_10 of the molality of 'component'
			scalar_t log_molality_component(index_t component) {
			return m_solution.main_variables(id_component(component));}

			//! \brief Return the molality of 'component'
			scalar_t molality_component(index_t component) {
			return pow10(log_molality_component(component));
			}

			// solid phases
			// ------------

			//! \brief Return the total saturation of 'mineral'
			scalar_t total_saturation_mineral(index_t mineral) {
			return m_solution.main_variables(id_mineral(mineral));
			}

			// Secondary variables
			// ===================

			//! \brief Return the ionic strength of the solution
			scalar_t ionic_strength() {return m_solution.ionic_strength;}

			// component
			// ---------

			//! \brief Return the log_10 of the activity coefficient of 'component'
			scalar_t log_activity_coefficient_component(index_t component) {
			return m_solution.log_gamma(id_component_gamma(component));
			}
			//! \brief Return the activity coefficient of 'component'
			scalar_t activity_coefficient_component(index_t component) {
			return pow10(log_activity_coefficient_component(component));
			}
			//! \brief Return the log_10 of the activity of 'component
			scalar_t log_activity_component(index_t component) {
			return log_molality_component(component) + log_activity_coefficient_component(component);
			}
			//! \brief Return the activity of 'component'
			scalar_t activity_component(index_t component) {
			return pow10(log_activity_component(component));
			}

			// aqueous species
			// ---------------
			//! \brief Return the molality of secondary specis 'aqueous'
			scalar_t molality_aqueous(index_t aqueous) {
			return m_solution.secondary_molalities(id_aqueous(aqueous));}
			//! \brief Return the log10 of the activity ocefficient of secondary species 'aqueous'
			scalar_t log_activity_coefficient_aqueous(index_t aqueous) {
			return m_solution.log_gamma(id_aqueous_gamma(aqueous));
			}
			//! \brief Return the activity coefficient of secondary species 'aqueous'
			scalar_t activity_coefficient_aqueous(index_t aqueous) {
			return pow10(log_activity_coefficient_aqueous(aqueous));
			}
			//! \brief Return the activity of secondary species 'aqueous'
			scalar_t activity_aqueous(index_t aqueous) {
			return activity_coefficient_aqueous(aqueous)*molality_aqueous(aqueous);
			}

			// Tertiary variables
			// ==================

			// Water
			// -----

			//! \brief Return the saturation of water
			scalar_t saturation_water() {return total_saturation_water()*porosity();}

			//! \brief Return the mass concentration of water
			scalar_t mass_concentration_water();

			//! \brief Return the pH of the solution
			scalar_t pH();

			// Gas phase
			// ---------

			//! \brief Return the saturation of the gas phase
			scalar_t saturation_gas_phase() {return 1-saturation_water();}

			//! \brief Return the total saturation of the gas phase
			scalar_t total_saturation_gas_phase() {return porosity() - saturation_water();}

			// Component
			// ---------

			// Solid phases
			// ------------

			//! \brief Return the concentration of 'mineral'
			scalar_t mole_concentration_mineral(index_t mineral);

			//! \brief Return the mass concentration of 'mineral'
			scalar_t mass_concentration_mineral(index_t mineral);

			//! \brief Return the total saturation of all minerals
			scalar_t total_saturation_minerals();

			//! \brief Return the porosity
			scalar_t porosity() {return 1 - total_saturation_minerals();}

			private:
			// private members
			// ###############

			index_t id_water() {return 0;}
			index_t id_component(index_t component) {
			specmicp_assert(component < m_data->nb_component);
			return component;
			}
			index_t id_mineral(index_t mineral) {
			specmicp_assert(mineral < m_data->nb_mineral);
			return m_data->nb_component+mineral;}
			index_t id_component_gamma(index_t component) {
			specmicp_assert(component < m_data->nb_component);
			return component;
			}
			index_t id_aqueous(index_t aqueous) {
			specmicp_assert(aqueous < m_data->nb_aqueous);
			return aqueous;
			}
			index_t id_aqueous_gamma(index_t aqueous) {
			specmicp_assert(aqueous < m_data->nb_aqueous);
			return m_data->nb_component+aqueous;
			}

			private:
			// private attributes
			// ##################
			AdimensionalSystemSolution m_solution;
			RawDatabasePtr m_data;
			};

			} // end namespace specmicp

			#endif // SPECMICP_SPECMICP_ADIMENSIONALSYSTEMSOLUTIONEXTRACTOR_HPP

specmicp/src/specmicp/adimensional/adimensional_system_solution_extractor.hpp3cd1304c75d9reactmicp/unsaturated

adimensional_system_solution_extractor.hppView Options

specmicp/src/specmicp/adimensional/adimensional_system_solution_extractor.hpp
3cd1304c75d9reactmicp/unsaturated

adimensional_system_solution_extractor.hpp
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