periodic_table.hpp File Reference

Data about the elements in the periodic table. More...

#include <string>
#include <vector>
#include <algorithm>
#include <exceptions.hpp>

Include dependency graph for periodic_table.hpp:

This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

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

Functions
int	alma::symbol_to_Z (const std::string &element)
	Return the atomic number of an element. More...
std::string	alma::Z_to_symbol (decltype(elements.size()) Z)
	Return the symbol corresponding to an atomic number. More...
double	alma::get_mass (const std::string &element, bool disablev=false)
	Compute the average mass of an element. More...
double	alma::get_gfactor (const std::string &element, bool disablev=false)
	Compute the squared Pearson deviation factor of the mass distribution for an element. More...

Variables
const std::vector< std::string >	alma::elements
	Names of all supported elements (and then some) sorted by atomic number. More...

Detailed Description

Data about the elements in the periodic table.

Function Documentation

get_gfactor()

double alma::get_gfactor	(	const std::string &	element,
		bool	disablev = false
	)

Compute the squared Pearson deviation factor of the mass distribution for an element.

Parameters

[in]	element	- chemical symbol or virtual element description
[in]	disablev	- disable parsing of virtual elements

Returns

the g factor in a.m.u.

get_mass()

double alma::get_mass	(	const std::string &	element,
		bool	disablev = false
	)

Compute the average mass of an element.

Parameters

[in]	element	- chemical symbol or virtual element description
[in]	disablev	- disable parsing of virtual elements

Returns

the mass in a.m.u.

symbol_to_Z()

int alma::symbol_to_Z ( const std::string &  element )

inline

Return the atomic number of an element.

Parameters

[in]

element

- chemical symbol

Returns

the atomic number

Z_to_symbol()

std::string alma::Z_to_symbol ( decltype(elements.size())  Z )

inline

Return the symbol corresponding to an atomic number.

Parameters

[in]

Z

- atomic number

Returns

a chemical symbol from the periodic table

Variable Documentation

elements

const std::vector<std::string> alma::elements

Initial value:

{
    "H",  "He", "Li", "Be", "B",  "C",  "N",  "O",  "F",  "Ne", "Na",
    "Mg", "Al", "Si", "P",  "S",  "Cl", "Ar", "K",  "Ca", "Sc", "Ti",
    "V",  "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", "Ga", "Ge", "As",
    "Se", "Br", "Kr", "Rb", "Sr", "Y",  "Zr", "Nb", "Mo", "Tc", "Ru",
    "Rh", "Pd", "Ag", "Cd", "In", "Sn", "Sb", "Te", "I",  "Xe", "Cs",
    "Ba", "La", "Ce", "Pr", "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy",
    "Ho", "Er", "Tm", "Yb", "Lu", "Hf", "Ta", "W",  "Re", "Os", "Ir",
    "Pt", "Au", "Hg", "Tl", "Pb", "Bi", "Po", "At", "Rn", "Fr", "Ra",
    "Ac", "Th", "Pa", "U",  "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Es",
    "Fm", "Md", "No", "Lr", "Rf", "Db", "Sg", "Bh", "Hs", "Mt"}

Names of all supported elements (and then some) sorted by atomic number.