formulation.hpp
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	#ifndef SPECMICP_SPECMICP_PROBLEMSOLVER_FORMULATION_HPP
	#define SPECMICP_SPECMICP_PROBLEMSOLVER_FORMULATION_HPP

	#include "common.hpp"
	#include <map>
	#include <vector>
	#include <string>

	namespace specmicp {

	struct Formulation
	{
	//! \brief Mass of the solvent
	scalar_t mass_solution;
	//! \brief Contains the amount of each solid phase
	std::map<std::string, scalar_t> concentration_aqueous;
	//! \brief Contains the amount of each solid phase
	//! included in the problem
	std::map<std::string, scalar_t> amount_minerals;

	//! \brief Extra component to leave in the database
	//!
	//! All components not present in this list and with
	//! a total concentration of zero will be removed.
	std::vector<std::string> extra_components_to_keep;
	//! \brief List of solid phase at equilibrium to keep in the computation
	//!
	//! Leave empty to keep all solid phases present in the database
	std::vector<std::string> minerals_to_keep;
	};

	} // end namespace specmicp

	#endif // SPECMICP_SPECMICP_PROBLEMSOLVER_FORMULATION_HPP