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

Detailed Description

A type used to describe a species and its attributes.

The Species class is used to represent a species. It is an important class in the library, since it defines fundamental attributes of a general species such as its elemental formula, electrical charge and molar mass.

See also

#include <Species.hpp>

Inheritance diagram for Reaktoro::Species:

Public Member Functions

 Species ()
 Construct a default Species instance.
auto setName (std::string name) -> void
 Set the name of the species.
auto setFormula (std::string formula) -> void
 Set the formula of the species.
auto setElements (const std::map< Element, double > &elements) -> void
 Set the elements of the species.
auto numElements () const -> unsigned
 Return the number of elements of the species.
auto name () const -> std::string
 Return the name of the species.
auto formula () const -> std::string
 Return the formula of the species.
auto elements () const -> const std::map< Element, double > &
 Return the elements that compose the species and their coefficients.
auto molarMass () const -> double
 Return the molar mass of the species (in units of kg/mol).
auto charge () const -> double
 Return the electrical charge of the species.
auto elementCoefficient (std::string element) const -> double
 Return the stoichiometry of an element in the species.

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