PhreeqcIO.cpp File Reference

Detailed Description

Copyright

Copyright (c) 2012-2024, OpenGeoSys Community (http://www.opengeosys.org) Distributed under a Modified BSD License. See accompanying file LICENSE.txt or http://www.opengeosys.org/project/license

Definition in file PhreeqcIO.cpp.

#include "PhreeqcIO.h"
#include <IPhreeqc.h>
#include <boost/algorithm/string.hpp>
#include <cmath>
#include <fstream>
#include <iomanip>
#include <numeric>
#include "BaseLib/Algorithm.h"
#include "BaseLib/ConfigTreeUtil.h"
#include "MaterialLib/MPL/Medium.h"
#include "MathLib/LinAlg/Eigen/EigenVector.h"
#include "MathLib/LinAlg/LinAlg.h"
#include "MeshLib/Mesh.h"
#include "PhreeqcIOData/AqueousSolution.h"
#include "PhreeqcIOData/ChemicalSystem.h"
#include "PhreeqcIOData/Dump.h"
#include "PhreeqcIOData/EquilibriumReactant.h"
#include "PhreeqcIOData/Exchange.h"
#include "PhreeqcIOData/KineticReactant.h"
#include "PhreeqcIOData/Knobs.h"
#include "PhreeqcIOData/Output.h"
#include "PhreeqcIOData/ReactionRate.h"
#include "PhreeqcIOData/Surface.h"
#include "PhreeqcIOData/UserPunch.h"

Include dependency graph for PhreeqcIO.cpp:

Go to the source code of this file.

Classes
struct	ChemistryLib::PhreeqcIOData::anonymous_namespace{PhreeqcIO.cpp}::overloaded< Ts >

Namespaces
namespace	ChemistryLib
namespace	ChemistryLib::PhreeqcIOData
namespace	ChemistryLib::PhreeqcIOData::anonymous_namespace{PhreeqcIO.cpp}

Functions
template<class... Ts>
	ChemistryLib::PhreeqcIOData::anonymous_namespace{PhreeqcIO.cpp}::overloaded (Ts...) -> overloaded< Ts... >
template<typename DataBlock >
std::ostream &	ChemistryLib::PhreeqcIOData::anonymous_namespace{PhreeqcIO.cpp}::operator<< (std::ostream &os, std::vector< DataBlock > const &data_blocks)
void	ChemistryLib::PhreeqcIOData::anonymous_namespace{PhreeqcIO.cpp}::setAqueousSolution (std::vector< double > const &concentrations, GlobalIndexType const &chemical_system_id, AqueousSolution &aqueous_solution)
template<typename Reactant >
void	ChemistryLib::PhreeqcIOData::anonymous_namespace{PhreeqcIO.cpp}::initializeReactantMolality (Reactant &reactant, GlobalIndexType const &chemical_system_id, MaterialPropertyLib::Phase const &solid_phase, MaterialPropertyLib::Phase const &liquid_phase, MaterialPropertyLib::Medium const &medium, ParameterLib::SpatialPosition const &pos, double const t)
template<typename Reactant >
void	ChemistryLib::PhreeqcIOData::anonymous_namespace{PhreeqcIO.cpp}::setReactantMolality (Reactant &reactant, GlobalIndexType const &chemical_system_id, MaterialPropertyLib::Phase const &solid_phase, MaterialPropertyLib::Phase const &liquid_phase, MaterialPropertyLib::VariableArray const &vars, ParameterLib::SpatialPosition const &pos, double const t, double const dt)
template<typename Site >
void	ChemistryLib::PhreeqcIOData::anonymous_namespace{PhreeqcIO.cpp}::initializeSiteMolality (Site &site, GlobalIndexType const &chemical_system_id, MaterialPropertyLib::Phase const &solid_phase, ParameterLib::SpatialPosition const &pos, double const t)
template<typename Reactant >
void	ChemistryLib::PhreeqcIOData::anonymous_namespace{PhreeqcIO.cpp}::updateReactantVolumeFraction (Reactant &reactant, GlobalIndexType const &chemical_system_id, MaterialPropertyLib::Medium const &medium, ParameterLib::SpatialPosition const &pos, double const porosity, double const t, double const dt)
template<typename Reactant >
void	ChemistryLib::PhreeqcIOData::anonymous_namespace{PhreeqcIO.cpp}::setPorosityPostReaction (Reactant &reactant, GlobalIndexType const &chemical_system_id, MaterialPropertyLib::Medium const &medium, double &porosity)
template<typename Reactant >
static double	ChemistryLib::PhreeqcIOData::anonymous_namespace{PhreeqcIO.cpp}::averageReactantMolality (Reactant const &reactant, std::vector< GlobalIndexType > const &chemical_system_indices)
std::string	ChemistryLib::PhreeqcIOData::specifyFileName (std::string const &project_file_name, std::string const &file_extension)
std::ostream &	ChemistryLib::PhreeqcIOData::operator<< (std::ostream &os, PhreeqcIO const &phreeqc_io)
std::istream &	ChemistryLib::PhreeqcIOData::operator>> (std::istream &in, PhreeqcIO &phreeqc_io)