Reaktoro 
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)
explicit

Construct a custom PhreeqcDatabase instance.

Parameters
filenameThe path to the Phreeqc database file

Member Function Documentation

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

Load a Phreeqc database.

Parameters
filenameThe path to the Phreeqc database file

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