periodic_table.cpp File Reference

Definitions corresponding to periodic_table.hpp. More...

#include <map>
#include <cmath>
#include <cctype>
#include <numeric>
#include <algorithm>
#include <boost/format.hpp>
#include <boost/algorithm/string/split.hpp>
#include <boost/algorithm/string/classification.hpp>
#include <boost/lexical_cast.hpp>
#include <boost/tokenizer.hpp>
#include <utilities.hpp>
#include <periodic_table.hpp>

Include dependency graph for periodic_table.cpp:

Classes
class	alma::Isotope
	Plain old data class containing the mass and abundance of one isotope. More...

Functions
std::pair< std::vector< Isotope >::const_iterator, std::vector< Isotope >::const_iterator >	alma::get_isotope_range (const std::string &element)
	Find the range of entries in the isotope table that belong to one particular element. 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< Isotope >	alma::isotopes
	Table of isotopes, alphabetically sorted.

Detailed Description

Definitions corresponding to periodic_table.hpp.

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_isotope_range()

std::pair<std::vector<Isotope>::const_iterator, std::vector<Isotope>::const_iterator> alma::get_isotope_range

(

const std::string &

element

)

Find the range of entries in the isotope table that belong to one particular element.

Parameters

[in]

element

- a chemical symbol

Returns

a pair of iterators into the table

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.