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

Public Member Functions

 PhreeqcDatabase ()
 Construct a default PhreeqcDatabase instance.
 PhreeqcDatabase (std::string filename)
 Construct a custom PhreeqcDatabase instance. More...
auto load (std::string filename) -> void
 Load a Phreeqc database. More...
auto numElements () const -> unsigned
auto numAqueousSpecies () const -> unsigned
auto numGaseousSpecies () const -> unsigned
auto numMineralSpecies () const -> unsigned
auto numMasterSpecies () const -> unsigned
auto numProductSpecies () const -> unsigned
auto element (Index index) const -> Element
auto elements () const -> const std::vector< Element > &
auto aqueousSpecies (Index index) const -> AqueousSpecies
auto aqueousSpecies (std::string name) const -> AqueousSpecies
auto aqueousSpecies () const -> const std::vector< AqueousSpecies > &
auto gaseousSpecies (Index index) const -> GaseousSpecies
auto gaseousSpecies (std::string name) const -> GaseousSpecies
auto gaseousSpecies () const -> const std::vector< GaseousSpecies > &
auto mineralSpecies (Index index) const -> MineralSpecies
auto mineralSpecies (std::string name) const -> MineralSpecies
auto containsAqueousSpecies (std::string name) const -> bool
auto containsGaseousSpecies (std::string name) const -> bool
auto containsMineralSpecies (std::string name) const -> bool
auto mineralSpecies () const -> const std::vector< MineralSpecies > &
auto masterSpecies () const -> std::set< std::string >
auto cross (const Database &master) -> Database
 Cross this PhreeqcDatabase instance with master thermodynamic data in another Database instance.

Constructor & Destructor Documentation

Reaktoro::PhreeqcDatabase::PhreeqcDatabase ( std::string  filename)

Construct a custom PhreeqcDatabase instance.

filenameThe path to the Phreeqc database file

Member Function Documentation

auto Reaktoro::PhreeqcDatabase::load ( std::string  filename) -> void

Load a Phreeqc database.

filenameThe path to the Phreeqc database file

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