Reaktoro 
A unified framework for modeling chemically reactive systems
Reaktoro::PhreeqcEditor Class Reference

Public Member Functions

 PhreeqcEditor ()
 Construct a default PhreeqcEditor instance.
 
 PhreeqcEditor (std::string database)
 Construct a PhreeqcEditor instance with given database file. More...
 
 PhreeqcEditor (const PhreeqcEditor &other)
 Construct a copy of a PhreeqcEditor instance.
 
virtual ~PhreeqcEditor ()
 Destroy this PhreeqcEditor instance.
 
auto operator= (PhreeqcEditor other) -> PhreeqcEditor &
 Assign another PhreeqcEditor instance to this.
 
auto setDatabase (std::string database) -> void
 Set the PHREEQC database file to be used by the PhreeqcEditor. More...
 
auto setAqueousPhase (const std::vector< std::string > &elements) -> void
 Set the aqueous species in the system by specifying which elements should exist. More...
 
auto setAqueousPhase (std::string elements) -> void
 Set the aqueous species in the system by specifying which elements should exist. More...
 
auto setGaseousPhase (const std::vector< std::string > &gases) -> void
 Set the gaseous phase in the system by specifying the end-member gases. More...
 
auto setGaseousPhase (std::string gases) -> void
 Set the gaseous phase in the system by specifying the end-member gases. More...
 
auto setMineralPhases (const std::vector< std::string > &minerals) -> void
 Set the mineral phases in the system by specifying the names of the pure minerals. More...
 
auto setMineralPhases (std::string minerals) -> void
 Set the mineral phases in the system by specifying the names of the pure minerals. More...
 
 operator ChemicalSystem () const
 Convert this PhreeqcEditor instance into a ChemicalSystem instance.
 
 operator Phreeqc () const
 Convert this PhreeqcEditor instance into a Phreeqc instance.
 

Constructor & Destructor Documentation

Reaktoro::PhreeqcEditor::PhreeqcEditor ( std::string  database)

Construct a PhreeqcEditor instance with given database file.

Parameters
databaseThe path, including name, to the PHREEQC database file.

Member Function Documentation

auto Reaktoro::PhreeqcEditor::setDatabase ( std::string  database) -> void

Set the PHREEQC database file to be used by the PhreeqcEditor.

Parameters
databaseThe path, including name, to the PHREEQC database file.
auto Reaktoro::PhreeqcEditor::setAqueousPhase ( const std::vector< std::string > &  elements) -> void

Set the aqueous species in the system by specifying which elements should exist.

Parameters
elementsThe names of the elements.
auto Reaktoro::PhreeqcEditor::setAqueousPhase ( std::string  elements) -> void

Set the aqueous species in the system by specifying which elements should exist.

Parameters
elementsThe names of the elements as a space-separated string list.
auto Reaktoro::PhreeqcEditor::setGaseousPhase ( const std::vector< std::string > &  gases) -> void

Set the gaseous phase in the system by specifying the end-member gases.

Parameters
gasesThe names of the gases.
auto Reaktoro::PhreeqcEditor::setGaseousPhase ( std::string  gases) -> void

Set the gaseous phase in the system by specifying the end-member gases.

Parameters
gasesThe names of the gases as a space-separated string list.
auto Reaktoro::PhreeqcEditor::setMineralPhases ( const std::vector< std::string > &  minerals) -> void

Set the mineral phases in the system by specifying the names of the pure minerals.

Parameters
mineralsThe names of the pure minerals.
auto Reaktoro::PhreeqcEditor::setMineralPhases ( std::string  minerals) -> void

Set the mineral phases in the system by specifying the names of the pure minerals.

Parameters
mineralsThe names of the pure minerals.

The documentation for this class was generated from the following files: