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canonicalizer.hpp
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Sat, Jun 29, 00:08
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rSPECMICP SpecMiCP / ReactMiCP
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
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