alma::Virtual_element Class Reference

Class whose objects describe a virtual "element" in an alloy, i.e., a statistical mixture of chemical elements. More...

#include <periodic_table.hpp>

Public Member Functions
	Virtual_element (const std::vector< std::string > &symbols, const std::vector< double > &ratios)
	Trivial constructor. More...
	Virtual_element (const std::string &composition)
	Create a Virtual_element from a string describing its composition. More...
std::size_t	get_nelements () const
	Return the number of elements in the mix. More...
std::string	get_symbol (std::size_t i) const
	Return the symbol of the i-th component of the mixture. More...
double	get_ratio (std::size_t i) const
	Return the atomic ratio of the i-th component of the mixture. More...
std::string	get_name () const
	Obtain a textual representation of the virtual element. More...

Detailed Description

Class whose objects describe a virtual "element" in an alloy, i.e., a statistical mixture of chemical elements.

Constructor & Destructor Documentation

Virtual_element() [1/2]

alma::Virtual_element::Virtual_element	(	const std::vector< std::string > &	symbols,
		const std::vector< double > &	ratios
	)

Trivial constructor.

The vector of atomic ratios need not be normalized, though its elements cannot be negative.

Virtual_element() [2/2]

alma::Virtual_element::Virtual_element

(

const std::string &

composition

)

Create a Virtual_element from a string describing its composition.

The format of the string is: "element1:ratio1;element2:ratio2" with as many elements as necessary. Whitespace is not significative. ratios must be positive decimal numbers, but need not be normalized.

Parameters

[in]

composition

- a string describing the composition ratios. The elements of the latter add up to 1.

Member Function Documentation

get_name()

std::string alma::Virtual_element::get_name

(

)

const

Obtain a textual representation of the virtual element.

Returns

a string in a format suitable to be passed to the class constructor.

get_nelements()

std::size_t alma::Virtual_element::get_nelements ( ) const

inline

Return the number of elements in the mix.

Returns

the number of chemical elements making up the virtual element.

get_ratio()

double alma::Virtual_element::get_ratio ( std::size_t  i ) const

inline

Return the atomic ratio of the i-th component of the mixture.

Parameters

[in]

i

- index of the element

Returns

the atomic ratio of the requested element

get_symbol()

std::string alma::Virtual_element::get_symbol ( std::size_t  i ) const

inline

Return the symbol of the i-th component of the mixture.

Parameters

[in]

i

- index of the element

Returns

the chemical symbol of the requested element

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

• periodic_table.hpp
• periodic_table.cpp