switch_basis.hpp
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	/*-------------------------------------------------------

	- Module : database
	- File : switch_basis.hpp
	- Author : Fabien Georget

	Copyright (c) 2014, Fabien Georget, Princeton University

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

	#ifndef SPECMICP_DATABASE_SWITCHBASIS_HPP
	#define SPECMICP_DATABASE_SWITCHBASIS_HPP

	//! \file switch_basis.hpp Switch basis

	#include <memory>
	#include "data_container.hpp"

	namespace specmicp {
	namespace database {

	class BasisSwitcher
	{
	public:
	BasisSwitcher(std::shared_ptr<DataContainer> thedata):
	data(thedata)
	{}

	//! \brief Change the basis
	//!
	//! @param new_basis list of id of the new basis
	//!
	//! The new basis is a list of id, id = id_component for no swapping
	//! or id = id_aqueous + nb_component for swapping a secondary species
	void change_basis(std::vector<int>& new_basis);

	private:
	//! \brief Swap aqueous parameters during a basis transformation
	void swap_aq_param(std::vector<int> new_basis);
	//! \brief Swap labels - called during a basis transformation
	void swap_labels(std::vector<int> new_basis);

	std::shared_ptr<DataContainer> data;
	};

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

	#endif // SPECMICP_DATABASE_SWITCHBASIS_HPP