ElementalComposition Class Reference

A type used to describe the elemental composition of chemical species. More...

#include <ElementalComposition.hpp>

Public Member Functions
	ElementalComposition ()
	Construct a default ElementalComposition object.
	ElementalComposition (std::initializer_list< Pair< Element, double >> const &elements)
	Construct an ElementalComposition object with given elements and respective coefficients.
	ElementalComposition (Pairs< Element, double > const &elements)
	Construct an ElementalComposition object with given elements and respective coefficients.
	ElementalComposition (Pairs< String, double > const &elements)
	Construct an ElementalComposition object with given element symbols and respective coefficients.
auto	size () const -> Index
	Return the number of elements.
auto	symbols () const -> Strings
	Return the symbols of the elements.
auto	coefficients () const -> Vec< double >
	Return the coefficients of the elements.
auto	coefficient (const String &symbol) const -> double
	Return the coefficient of an element symbol in the elemental composition.
auto	molarMass () const -> double
	Return the molar mass of the elemental composition (in kg/mol).
auto	repr () const -> String
	Return a string representation of the elemental composition.
	operator Pairs< Element, double > () const
	Convert this ElementalComposition object into a Pairs<Element, double> object.
	operator Pairs< String, double > () const
	Convert this ElementalComposition object into a Pairs<String, double> object.
	operator String () const
	Convert this ElementalComposition object into a String representation object.
auto	begin () const
	Return begin const iterator of this ElementalComposition instance (for STL compatibility reasons).
auto	begin ()
	Return begin iterator of this ElementalComposition instance (for STL compatibility reasons).
auto	end () const
	Return end const iterator of this ElementalComposition instance (for STL compatibility reasons).
auto	end ()
	Return end iterator of this ElementalComposition instance (for STL compatibility reasons).

Detailed Description

A type used to describe the elemental composition of chemical species.

---

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

• Reaktoro/Core/ElementalComposition.hpp