canonicalizer.hpp
7faccfcacb59kinetics

canonicalizer.hpp
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			/*-------------------------------------------------------

			- Module : database
			- File : canonicalizer
			- Author : Fabien Georget

			Copyright (c) 2014, Fabien Georget, Princeton University

			---------------------------------------------------------*/

			#ifndef SPECMICP_DATABASE_CANONICALIZER
			#define SPECMICP_DATABASE_CANONICALIZER

			//! \file canonicalizer.hpp Transform a database into canonical form

			#include "module.hpp"

			namespace specmicp {
			namespace database {

			//! \brief Transform a database into canonical form
			//!
			//! Canonical form means that every secondary species are written as function of the components
			//!
			//! P.S : what a great name
			class DatabaseCanonicalizer: public DatabaseModule
			{
			public:
			DatabaseCanonicalizer(RawDatabasePtr thedata):
			DatabaseModule(thedata)
			{}

			//! \brief Transform the database into canonical form
			//!
			//! This process is necessary before any computation
			void make_canonical();

			private:

			//! \brief transform the aqueous system into a canonical form
			void make_aqueous_canonical();

			//! \brief transform the mineral system into a canonical form
			void make_mineral_canonical();
			//! \brief transform the mineral (governed by kineticS) system into a canonical form
			void make_mineral_kinetic_canonical();

			};

			//! Set the database to canonical form
			inline void canonicalize_database(DatabaseCanonicalizer::RawDatabasePtr data)
			{
			DatabaseCanonicalizer(data).make_canonical();
			}

			} // end namespace database
			} // end namespace specmicp

			#endif // SPECMICP_DATABASE_CANONICALIZER