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 (StringList elements) -> void
 Set the aqueous species in the system by specifying which elements should exist. More...
 
auto setGaseousPhase (StringList gases) -> void
 Set the gaseous phase in the system by specifying the end-member gases. More...
 
auto setMineralPhases (StringList 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 ( StringList  elements) -> void

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

Parameters
elementsThe names of the elements either as a vector of strings or as space-separated string list.
auto Reaktoro::PhreeqcEditor::setGaseousPhase ( StringList  gases) -> void

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

Parameters
elementsThe names of the gases either as a vector of strings or as space-separated string list.
auto Reaktoro::PhreeqcEditor::setMineralPhases ( StringList  minerals) -> void

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

Parameters
elementsThe names of the pure minerals either as a vector of strings or as space-separated string list.

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