Mantid
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Public Member Functions | Public Attributes | List of all members
Mantid::PhysicalConstants::Atom Class Reference

Struture to hold the common information for an atom. More...

#include <Atom.h>

Public Member Functions

 Atom (const Atom &other)
 Copy constructor. More...
 
 Atom (const NeutronAtom &neutron)
 Create user defined atom from neutronic information. More...
 
 Atom (std::string symbol, const uint16_t z, const uint16_t a, const double abundance, const double mass, const double density)
 Standard constructor. More...
 

Public Attributes

const uint16_t a_number
 The total number of protons and neutrons, or mass number, for the atom for isotopic averages this is set to zero. More...
 
const double abundance
 The natural abundance of the isotope as a percentage between 0 and 100. More...
 
const double mass
 The atomic mass in units of 'u' (=1g/mol/Na). More...
 
const double mass_density
 The atomic mass density in units of g/cm3. More...
 
const NeutronAtom neutron
 Handle to class containing neutronic atomic properties. More...
 
const double number_density
 The number density in units of cm-3 as calculated from the mass density. More...
 
const std::string symbol
 The atomic symbol. In other words the one or two character abbreviation. More...
 
const uint16_t z_number
 The atomic number, or number of protons, for the atom. More...
 

Detailed Description

Struture to hold the common information for an atom.

This also allows access to the NeutronAtom information by a pointer. The information in this table is generated using the DANSE project's periodictable python module.

Definition at line 20 of file Atom.h.

Constructor & Destructor Documentation

◆ Atom() [1/3]

Mantid::PhysicalConstants::Atom::Atom ( std::string  symbol,
const uint16_t  z,
const uint16_t  a,
const double  abundance,
const double  mass,
const double  density 
)

Standard constructor.

Definition at line 21 of file Atom.cpp.

◆ Atom() [2/3]

Mantid::PhysicalConstants::Atom::Atom ( const Atom other)

Copy constructor.

Definition at line 28 of file Atom.cpp.

◆ Atom() [3/3]

Mantid::PhysicalConstants::Atom::Atom ( const NeutronAtom neutron)

Create user defined atom from neutronic information.

Definition at line 33 of file Atom.cpp.

Member Data Documentation

◆ a_number

const uint16_t Mantid::PhysicalConstants::Atom::a_number

The total number of protons and neutrons, or mass number, for the atom for isotopic averages this is set to zero.

Definition at line 38 of file Atom.h.

Referenced by export_Atom(), and Mantid::PhysicalConstants::operator<<().

◆ abundance

const double Mantid::PhysicalConstants::Atom::abundance

The natural abundance of the isotope as a percentage between 0 and 100.

For isotopic averages this is zero.

Definition at line 43 of file Atom.h.

Referenced by export_Atom().

◆ mass

const double Mantid::PhysicalConstants::Atom::mass

The atomic mass in units of 'u' (=1g/mol/Na).

This is from the normalized scale where C12 has an atomic mass of 12.

Definition at line 47 of file Atom.h.

Referenced by Mantid::WorkflowAlgorithms::DgsAbsoluteUnitsReduction::exec(), and export_Atom().

◆ mass_density

const double Mantid::PhysicalConstants::Atom::mass_density

The atomic mass density in units of g/cm3.

Definition at line 50 of file Atom.h.

Referenced by export_Atom().

◆ neutron

const NeutronAtom Mantid::PhysicalConstants::Atom::neutron

Handle to class containing neutronic atomic properties.

Definition at line 57 of file Atom.h.

Referenced by Mantid::Geometry::IsotropicAtomBraggScatterer::setElement().

◆ number_density

const double Mantid::PhysicalConstants::Atom::number_density

The number density in units of cm-3 as calculated from the mass density.

Definition at line 54 of file Atom.h.

Referenced by export_Atom().

◆ symbol

const std::string Mantid::PhysicalConstants::Atom::symbol

The atomic symbol. In other words the one or two character abbreviation.

Definition at line 31 of file Atom.h.

Referenced by export_Atom(), Mantid::PhysicalConstants::operator<<(), and Mantid::Geometry::IsotropicAtomBraggScatterer::setElement().

◆ z_number

const uint16_t Mantid::PhysicalConstants::Atom::z_number

The atomic number, or number of protons, for the atom.

Definition at line 34 of file Atom.h.

Referenced by Mantid::WorkflowAlgorithms::DgsAbsoluteUnitsReduction::exec(), and export_Atom().


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