G4Element.hh

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//---------------------------------------------------------------------------
//
// ClassName:   G4Element
//
// Description: Contains element properties
//
// Class description:
//
// An element is a chemical element either directly defined in terms of
// its characteristics: its name, symbol,
//                      Z (effective atomic number)
//                      N (effective number of nucleons)
//                      A (effective mass of a mole)
// or in terms of a collection of constituent isotopes with specified
// relative abundance (i.e. fraction of nb of atoms per volume).
//
// Quantities, with physical meaning or not, which are constant in a given
// element are computed and stored here as Derived data members.
//
// The class contains as a private static member the table of defined
// elements (an ordered vector of elements).
//
// Elements can be assembled singly or in mixtures into materials used
// in volume definitions via the G4Material class.
//
// It is strongly recommended do not delete G4Element instance in the
// user code. All G4Elements will be automatically deleted at the end
// of Geant4 session
 
// 09-07-96, new data members added by L.Urban
// 17-01-97, aesthetic rearrangement, M.Maire
// 20-01-97, Tsai formula for the rad length, M.Maire
// 21-01-97, remove mixture flag, M.Maire
// 24-01-97, new data member: fTaul
//           new method: ComputeIonisationPara, M.Maire
// 20-03-97, corrected initialization of pointers, M.Maire
// 27-06-97, new function GetIsotope(int), M.Maire
// 24-02-98, fWeightVector becomes fRelativeAbundanceVector
// 27-04-98, atomic shell stuff, V. Grichine
// 09-07-98, Ionisation parameters removed from the class, M.Maire
// 04-08-98, new method GetElement(elementName), M.Maire
// 16-11-98, Subshell -> Shell, mma
// 30-03-01, suppression of the warning message in GetElement
// 17-07-01, migration to STL, M. Verderi
// 13-09-01, stl migration. Suppression of the data member fIndexInTable
// 14-09-01, fCountUse: nb of materials which use this element
// 26-02-02, fIndexInTable renewed
// 01-04-05, new data member fIndexZ to count the number of elements with same Z
// 17-10-06: Add Get/Set fNaturalAbundance (V.Ivanchenko)
// 17.09.09, add fNbOfShellElectrons and methods (V. Grichine)
 
#ifndef G4ELEMENT_HH
#define G4ELEMENT_HH 1
 
#include "G4ElementTable.hh"
#include "G4ElementVector.hh"
#include "G4IonisParamElm.hh"
#include "G4Isotope.hh"
#include "G4IsotopeVector.hh"
#include "G4ios.hh"
#include "globals.hh"
 
#include <vector>
 
class G4Element
{
 public:  // with description
  // Constructor to Build an element directly; no reference to isotopes
  G4Element(const G4String& name,  // its name
    const G4String& symbol,  // its symbol
    G4double Zeff,  // atomic number
    G4double Aeff);  // mass of mole
 
  // Constructor to Build an element from isotopes via AddIsotope
  G4Element(const G4String& name,  // its name
    const G4String& symbol,  // its symbol
    G4int nbIsotopes);  // nb of isotopes
 
  virtual ~G4Element();
 
  G4Element(G4Element&) = delete;
  const G4Element& operator=(const G4Element&) = delete;
 
  // Add an isotope to the element
  void AddIsotope(G4Isotope* isotope,  // isotope
    G4double RelativeAbundance);  // fraction of nb of
                                  // atomes per volume
 
  // Retrieval methods
  inline const G4String& GetName() const { return fName; }
  inline const G4String& GetSymbol() const { return fSymbol; }
 
  // Atomic number
  inline G4double GetZ() const { return fZeff; }
  inline G4int GetZasInt() const { return fZ; }
 
  // Atomic weight in atomic units
  inline G4double GetN() const { return fNeff; }
  inline G4double GetAtomicMassAmu() const { return fNeff; }
 
  // Mass of a mole in Geant4 units for atoms with atomic shell
  inline G4double GetA() const { return fAeff; }
 
  inline G4bool GetNaturalAbundanceFlag() const;
 
  inline void SetNaturalAbundanceFlag(G4bool);
 
  // the number of atomic shells in this element:
  inline G4int GetNbOfAtomicShells() const { return fNbOfAtomicShells; }
 
  // the binding energy of the shell, ground shell index=0
  G4double GetAtomicShell(G4int index) const;
 
  // the number of electrons at the shell, ground shell index=0
  G4int GetNbOfShellElectrons(G4int index) const;
 
  // number of isotopes constituing this element:
  inline std::size_t GetNumberOfIsotopes() const { return fNumberOfIsotopes; }
 
  // vector of pointers to isotopes constituing this element:
  inline G4IsotopeVector* GetIsotopeVector() const { return theIsotopeVector; }
 
  // vector of relative abundance of each isotope:
  inline G4double* GetRelativeAbundanceVector() const { return fRelativeAbundanceVector; }
 
  inline const G4Isotope* GetIsotope(G4int iso) const { return (*theIsotopeVector)[iso]; }
 
  // the (static) Table of Elements:
  static const G4ElementTable* GetElementTable();
 
  static std::size_t GetNumberOfElements();
 
  // the index of this element in the Table:
  inline std::size_t GetIndex() const { return fIndexInTable; }
 
  // return pointer to an element, given its name:
  static G4Element* GetElement(const G4String& name, G4bool warning = true);
 
  // Coulomb correction factor:
  inline G4double GetfCoulomb() const { return fCoulomb; }
 
  // Tsai formula for the radiation length:
  inline G4double GetfRadTsai() const { return fRadTsai; }
 
  // pointer to ionisation parameters:
  inline G4IonisParamElm* GetIonisation() const { return fIonisation; }
 
  // printing methods
  friend std::ostream& operator<<(std::ostream&, const G4Element*);
  friend std::ostream& operator<<(std::ostream&, const G4Element&);
  friend std::ostream& operator<<(std::ostream&, const G4ElementTable&);
  friend std::ostream& operator<<(std::ostream&, const G4ElementVector&);
 
  inline void SetName(const G4String& name) { fName = name; }
 
  G4bool operator==(const G4Element&) const = delete;
  G4bool operator!=(const G4Element&) const = delete;
 
 private:
  void InitializePointers();
  void ComputeDerivedQuantities();
  void ComputeCoulombFactor();
  void ComputeLradTsaiFactor();
  void AddNaturalIsotopes();
 
  // Mutable access to the element table.
  static G4ElementTable& GetElementTableRef();
 
  // Basic data members (which define an Element)
 
  G4String fName;  // name
  G4String fSymbol;  // symbol
  G4double fZeff;  // Effective atomic number
  G4double fNeff;  // Effective number of nucleons
  G4double fAeff;  // Effective mass of a mole
  G4int fZ;
 
  G4int fNbOfAtomicShells;  // number  of atomic shells
  G4double* fAtomicShells;  // Pointer to atomic shell binding energies
  G4int* fNbOfShellElectrons;  // Pointer to the number of subshell electrons
 
  G4int fNumberOfIsotopes;  // Number of isotopes added to the element
  G4IsotopeVector* theIsotopeVector;  // vector of constituent isotopes of the element
  G4double* fRelativeAbundanceVector;  // Fraction nb of atomes per volume
                                       // for each constituent
 
  // Set up the static Table of Elements
  std::size_t fIndexInTable;
  G4bool fNaturalAbundance;
 
  // Derived data members (computed from the basic data members)
 
  G4double fCoulomb;  // Coulomb correction factor
  G4double fRadTsai;  // Tsai formula for the radiation length
  G4IonisParamElm* fIonisation;  // Pointer to ionisation parameters
};
 
inline G4bool G4Element::GetNaturalAbundanceFlag() const { return fNaturalAbundance; }
 
inline void G4Element::SetNaturalAbundanceFlag(G4bool val) { fNaturalAbundance = val; }
 
#endif