The description of an element. More...

#include <bayeux/materials/element.h>

Inheritance diagram for materials::element:

Public Types
enum	build_flag_type { BF_NIST_COMPOSITION = datatools::bit_mask::bit00, BF_LOCK = datatools::bit_mask::bit31 }
	Build flags. More...

Public Types inherited from datatools::i_tree_dumpable
enum	ostream_type { OSTREAM_COUT = 1, OSTREAM_CERR = 2, OSTREAM_CLOG = 3 }
	Enumeration for standard output streams. More...

Public Member Functions
	element ()
	Defaut Constructor. More...

	element (const std::string &name_, int z_, unsigned int build_flags_=0)
	Normal Constructor. More...

	element (const char *name_, int z_, unsigned int build_flags_=0)
	Normal Constructor. More...

	element (const std::string &name_, int z_, double molar_mass_, unsigned int build_flags_=0)
	Normal Constructor. More...

	element (const char *name_, int z_, double molar_mass_, unsigned int build_flags_=0)
	Normal Constructor. More...

	element (const std::string &name_, const std::string &symbol_="", unsigned int build_flags_=0)
	Normal Constructor. More...

	element (const char name_, const char symbol_="", unsigned int build_flags_=0)
	Normal Constructor. More...

virtual	~element ()
	Destructor. More...

bool	is_built_by_isotopic_composition () const
	Return true if the element is built by isotopic composition. More...

void	set_name (const std::string &name_)
	Set the name of the element. More...

void	set_z (int z_)
	Set the Z (number of protons) & the chemical symbol of the element. More...

void	set_z (const std::string &symbol_)
	Set the Z (number of protons) & the chemical symbol of the element. More...

void	set_molar_mass (double molar_mass_)
	Set the molar mass of the element [g/mol]. More...

void	add_isotope (const isotope &iso_ref_, double weight_=1.0, bool owned_=false)
	Add an isotope with weight. More...

void	add_isotope (const isotope *iso_ptr_, double weight_=1.0)
	Add an isotope with weight. More...

void	build (unsigned int build_flags_=0)
	Build the element : norm weights, compute molar mass. More...

void	build_from_nist ()
	Build the element using NIST composition data, then normalize weights, compute molar mass. More...

const std::string &	get_name () const
	Return the name. More...

const std::string &	get_symbol () const
	Return the chemical symbol. More...

int	get_z () const
	Return the number of protons (Z). More...

double	get_molar_mass () const
	Return the molar mass [g/mol]. More...

bool	is_locked () const
	Return true if composition is valid, weights are normalized and molar mass is computed. More...

void	lock ()
	Lock the element data structure. More...

void	unlock ()
	Unlock the element data structure. More...

const isotope_weight_map_type &	get_composition () const
	Return the isotopic composition of the element. More...

const datatools::properties &	get_properties () const
	Get reference of auxiliary properties. More...

datatools::properties &	grab_properties ()
	Get reference of auxiliary properties. More...

void	reset ()
	Reset. More...

virtual void	tree_dump (std::ostream &out_=std::clog, const std::string &title_="", const std::string &indent_="", bool inherit_=false) const
	Smart print. More...

Public Member Functions inherited from datatools::i_tree_dumpable
	i_tree_dumpable ()
	Constructor. More...

virtual	~i_tree_dumpable ()
	Destructor. More...

virtual void	print_tree (std::ostream &out_=std::clog, const boost::property_tree::ptree &options_=empty_options()) const
	Main new interface method for printing. More...

void	print_tree_json (std::ostream &out_=std::clog, const std::string &json_options_="") const
	Printing with jsonized options. More...

void	print_tree_json (std::ostream &out_=std::clog, const char *json_options_=nullptr) const
	Printing with jsonized options. More...

void	tree_dump_id (const int out_type_=OSTREAM_CLOG, const std::string &title_="", const std::string &indent_="", const bool inherit_=false) const

void	tree_print_id (const int out_type_=OSTREAM_CLOG, const std::string &title_="") const

void	smart_print_id (const int out_type_=OSTREAM_CLOG, const std::string &title_="", const std::string &indent_="") const

Static Public Attributes
static const int	Z_UNDEFINED = -1

Protected Member Functions
void	_set_defaults ()
	Set default values. More...

Additional Inherited Members
Static Public Member Functions inherited from datatools::i_tree_dumpable
static const boost::property_tree::ptree &	empty_options ()

static boost::property_tree::ptree	make_base_print_options (const std::string &title_, const std::string &indent_="", const bool inherit_=false)

static std::ostream &	last_skip_tag (std::ostream &out_)

static std::ostream &	skip_tag (std::ostream &out_)

static std::ostream &	last_tag (std::ostream &out_)

static std::ostream &	tag (std::ostream &out_)

Detailed Description

The description of an element.

Member Enumeration Documentation

◆ build_flag_type

enum materials::element::build_flag_type

Build flags.

Enumerator
BF_NIST_COMPOSITION	Build from the NIST table.
BF_LOCK	Lock after building.

Constructor & Destructor Documentation

◆ element() [1/7]

materials::element::element ( )

Defaut Constructor.

◆ element() [2/7]

materials::element::element	(	const std::string &	name_,
		int	z_,
		unsigned int	build_flags_ = `0`
	)

explicit

Normal Constructor.

Parameters

name_	: Name of the element
z_	: Z of the element
build_flags_	: On the fly building

◆ element() [3/7]

materials::element::element	(	const char *	name_,
		int	z_,
		unsigned int	build_flags_ = `0`
	)

explicit

Normal Constructor.

Parameters

name_	: Name of the element
z_	: Z of the element
build_flags_	: On the fly building

◆ element() [4/7]

materials::element::element	(	const std::string &	name_,
		int	z_,
		double	molar_mass_,
		unsigned int	build_flags_ = `0`
	)

explicit

Normal Constructor.

Parameters

name_	: Name of the element
z_	: Z of the element
molar_mass_	: Molar mass of the element
build_flags_	: On the fly building

◆ element() [5/7]

materials::element::element	(	const char *	name_,
		int	z_,
		double	molar_mass_,
		unsigned int	build_flags_ = `0`
	)

explicit

Normal Constructor.

Parameters

name_	: Name of the element
z_	: Z of the element
molar_mass_	: Molar mass of the element
build_flags_	: On the fly building

◆ element() [6/7]

materials::element::element	(	const std::string &	name_,
		const std::string &	symbol_ = `""`,
		unsigned int	build_flags_ = `0`
	)

explicit

Normal Constructor.

Parameters

name_	: Name of the element
symbol_	: Chemical symbol of the element
build_flags_	: On the fly building

◆ element() [7/7]

materials::element::element	(	const char *	name_,
		const char *	symbol_ = `""`,
		unsigned int	build_flags_ = `0`
	)

explicit

Normal Constructor.

Parameters

name_	: Name of the element
symbol_	: Chemical symbol of the element
build_flags_	: On the fly building

◆ ~element()

virtual materials::element::~element ( )

virtual

Destructor.

Member Function Documentation

◆ _set_defaults()

void materials::element::_set_defaults ( )

protected

Set default values.

◆ add_isotope() [1/2]

void materials::element::add_isotope	(	const isotope &	iso_ref_,
		double	weight_ = `1.0`,
		bool	owned_ = `false`
	)

Add an isotope with weight.

◆ add_isotope() [2/2]

void materials::element::add_isotope	(	const isotope *	iso_ptr_,
		double	weight_ = `1.0`
	)

Add an isotope with weight.

◆ build()

void materials::element::build ( unsigned int build_flags_ = 0 )

Build the element : norm weights, compute molar mass.

◆ build_from_nist()

void materials::element::build_from_nist ( )

Build the element using NIST composition data, then normalize weights, compute molar mass.

◆ get_composition()

const isotope_weight_map_type& materials::element::get_composition ( ) const

Return the isotopic composition of the element.

◆ get_molar_mass()

double materials::element::get_molar_mass ( ) const

Return the molar mass [g/mol].

double g_per_mol = CLHEP::g/CLHPE::mol;
double molar_mass = 12.34 * g_per_mol;
materials::element elmt;
elmt.set_molar_mass(molar_mass/g_per_mol);
double reloaded_molar_mass = elmt.get_molar_mass() * g_per_mol;

◆ get_name()

const std::string& materials::element::get_name ( ) const

Return the name.

◆ get_properties()

const datatools::properties& materials::element::get_properties ( ) const

Get reference of auxiliary properties.

◆ get_symbol()

const std::string& materials::element::get_symbol ( ) const

Return the chemical symbol.

◆ get_z()

int materials::element::get_z ( ) const

Return the number of protons (Z).

◆ grab_properties()

datatools::properties& materials::element::grab_properties ( )

Get reference of auxiliary properties.

◆ is_built_by_isotopic_composition()

bool materials::element::is_built_by_isotopic_composition ( ) const

Return true if the element is built by isotopic composition.

◆ is_locked()

bool materials::element::is_locked ( ) const

Return true if composition is valid, weights are normalized and molar mass is computed.

◆ lock()

void materials::element::lock ( )

Lock the element data structure.

◆ reset()

void materials::element::reset ( )

Reset.

◆ set_molar_mass()

void materials::element::set_molar_mass ( double molar_mass_ )

Set the molar mass of the element [g/mol].

double g_per_mol = CLHEP::g / CLHEP::mol;
double molar_mass = 12.34 * g_per_mol;
materials::element elmt;
elmt.set_molar_mass(molar_mass / g_per_mol);

or

double molar_mass = 12.34; // implicit [g/mol]
materials::element elmt;
elmt.set_molar_mass(molar_mass);

◆ set_name()

void materials::element::set_name ( const std::string & name_ )

Set the name of the element.

◆ set_z() [1/2]

void materials::element::set_z ( int z_ )

Set the Z (number of protons) & the chemical symbol of the element.

◆ set_z() [2/2]

void materials::element::set_z ( const std::string & symbol_ )

Set the Z (number of protons) & the chemical symbol of the element.

◆ tree_dump()

virtual void materials::element::tree_dump	(	std::ostream &	out_ = `std::clog`,
		const std::string &	title_ = `""`,
		const std::string &	indent_ = `""`,
		bool	inherit_ = `false`
	)		const

virtual

Smart print.

Reimplemented from datatools::i_tree_dumpable.

◆ unlock()

void materials::element::unlock ( )

Unlock the element data structure.

Member Data Documentation

◆ Z_UNDEFINED

const int materials::element::Z_UNDEFINED = -1

static

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

bayeux/materials/element.h

Public Types

Public Member Functions

Static Public Attributes

Protected Member Functions

Additional Inherited Members

Detailed Description

Member Enumeration Documentation

◆ build_flag_type

Constructor & Destructor Documentation

◆ element() [1/7]

◆ element() [2/7]

◆ element() [3/7]

◆ element() [4/7]

◆ element() [5/7]

◆ element() [6/7]

◆ element() [7/7]

◆ ~element()

Member Function Documentation

◆ _set_defaults()

◆ add_isotope() [1/2]

◆ add_isotope() [2/2]

◆ build()

◆ build_from_nist()

◆ get_composition()

◆ get_molar_mass()

◆ get_name()

◆ get_properties()

◆ get_symbol()

◆ get_z()

◆ grab_properties()

◆ is_built_by_isotopic_composition()

◆ is_locked()

◆ lock()

◆ reset()

◆ set_molar_mass()

◆ set_name()

◆ set_z() [1/2]

◆ set_z() [2/2]

◆ tree_dump()

◆ unlock()

Member Data Documentation

◆ Z_UNDEFINED