GQCP::elements Namespace Reference

Functions
const std::string &	atomicNumberToElement (const size_t atomic_number)
size_t	elementToAtomicNumber (const std::string &symbol)

Variables
std::vector< boost::bimap< std::string, size_t >::value_type >	elements_list

Function Documentation

atomicNumberToElement()

const std::string & GQCP::elements::atomicNumberToElement

(

const size_t

atomic_number

)

Parameters

atomic_number

the atomic number of an element

Returns

the symbol of the corresponding element

elementToAtomicNumber()

size_t GQCP::elements::elementToAtomicNumber

(

const std::string &

symbol

)

Parameters

symbol

the name of an element

Returns

the atomic number of the corresponding element

Variable Documentation

elements_list

std::vector<boost::bimap<std::string, size_t>::value_type> GQCP::elements::elements_list

Create a vector of bimap values, which provides .begin() and .end() iterators

Adapted from https://stackoverflow.com/a/20290421/7930415