Gabriele Cosmo
242 lines
8.3 KiB
C++
242 lines
8.3 KiB
C++
//
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// ********************************************************************
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// * License and Disclaimer *
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// * *
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// * The Geant4 software is copyright of the Copyright Holders of *
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// * the Geant4 Collaboration. It is provided under the terms and *
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// * conditions of the Geant4 Software License, included in the file *
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// * LICENSE and available at http://cern.ch/geant4/license . These *
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// * include a list of copyright holders. *
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// * *
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// * Neither the authors of this software system, nor their employing *
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// * institutes,nor the agencies providing financial support for this *
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// * work make any representation or warranty, express or implied, *
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// * regarding this software system or assume any liability for its *
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// * use. Please see the license in the file LICENSE and URL above *
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// * for the full disclaimer and the limitation of liability. *
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// * *
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// * This code implementation is the result of the scientific and *
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// * technical work of the GEANT4 collaboration. *
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// * By using, copying, modifying or distributing the software (or *
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// * any work based on the software) you agree to acknowledge its *
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// * use in resulting scientific publications, and indicate your *
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// * acceptance of all terms of the Geant4 Software license. *
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// ********************************************************************
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//
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#ifndef G4NistElementBuilder_h
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#define G4NistElementBuilder_h 1
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//---------------------------------------------------------------------------
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//
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// ClassName: G4NistElementBuilder
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//
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// Description: Utility class to hold and manipulate G4Elements defined from
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// Nist data base
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//
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// Author: V.Ivanchenko 21.11.2004
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//
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// Modifications:
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// 27.02.06 V.Ivanchenko Return m=0 if Z&N combination is out of NIST
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// 27.02.06 V.Ivanchenko add GetAtomicMassAmu
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// 17.10.06 V.Ivanchenko add GetAtomicMass and GetNistElementNames methods
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// 02.05.07 V.Ivanchenko add GetNistFirstIsotopeN and GetNumberOfNistIsotopes
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// 06.08.08 V.Ivanchenko add binding energy parameterisation and use isotope
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// mass in G4 units
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//
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// Class Description:
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//
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// Element data from the NIST DB on Atomic Weights and Isotope Compositions
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// http://physics.nist.gov/PhysRefData/Compositions/index.html
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//
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#include "G4Element.hh"
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#include "globals.hh"
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#include <CLHEP/Units/PhysicalConstants.h>
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#include <vector>
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const G4int maxNumElements = 108;
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const G4int maxAbundance = 3500;
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class G4NistElementBuilder
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{
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public:
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explicit G4NistElementBuilder(G4int vb);
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~G4NistElementBuilder() = default;
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// Find or build a G4Element by atomic number
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inline G4Element* FindElement(G4int Z) const;
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G4Element* FindOrBuildElement(G4int Z, G4bool buildIsotopes = true);
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// Find or build a G4Element by symbol
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G4Element* FindOrBuildElement(const G4String& symb, G4bool buildIsotopes = true);
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// print element information
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void PrintElement(G4int Z) const;
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// Access to the vector of Geant4 predefined element names
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const std::vector<G4String>& GetElementNames() const;
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// Get atomic number by element symbol
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G4int GetZ(const G4String& symb) const;
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// Get atomic weight in atomic units by element symbol
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G4double GetAtomicMassAmu(const G4String& symb) const;
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// Get atomic weight in atomic units - mean mass in units of amu of an atom
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// with electron shell for the natural isotope composition
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inline G4double GetAtomicMassAmu(G4int Z) const;
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// Get mass of isotope without electron shell in Geant4 energy units
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inline G4double GetIsotopeMass(G4int Z, G4int N) const;
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// Get mass in Geant4 energy units of an atom of a particular isotope
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// with the electron shell
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inline G4double GetAtomicMass(G4int Z, G4int N) const;
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// Get total ionisation energy of an atom
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inline G4double GetTotalElectronBindingEnergy(G4int Z) const;
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// Get natural isotope abundance
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inline G4double GetIsotopeAbundance(G4int Z, G4int N) const;
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// Get N for the first natural isotope
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inline G4int GetNistFirstIsotopeN(G4int Z) const;
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// Get number of natural isotopes
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inline G4int GetNumberOfNistIsotopes(G4int Z) const;
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// Get max Z in the Geant4 element database
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inline G4int GetMaxNumElements() const;
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inline void SetVerbose(G4int);
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private:
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void Initialise();
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// Add element parameters to internal G4 database:
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// Z - atomic number, N - number of nucleons, A - atomic mass (amu),
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// sigmaA - accuracy of mass in last digits, W - natural abundances (percent)
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void AddElement(const G4String& symbol, G4int Z, G4int NumberOfIsotopes, const G4int& N,
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const G4double& A, const G4double& sigmaA, const G4double& W);
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// Build a G4Element from the G4 dataBase
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G4Element* BuildElement(G4int Z);
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private:
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G4String elmSymbol[maxNumElements];
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G4double atomicMass[maxNumElements]; // amu
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G4double bindingEnergy[maxNumElements];
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G4int nIsotopes[maxNumElements];
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G4int nFirstIsotope[maxNumElements];
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G4int idxIsotopes[maxNumElements];
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G4int elmIndex[maxNumElements];
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G4double massIsotopes[maxAbundance]; // G4 units
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G4double sigMass[maxAbundance]; // G4 units
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G4double relAbundance[maxAbundance];
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G4int index;
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G4int verbose;
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std::vector<G4String> elmNames;
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};
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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inline G4double G4NistElementBuilder::GetAtomicMassAmu(G4int Z) const
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{
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return (Z > 0 && Z < maxNumElements) ? atomicMass[Z] : 0.0;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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inline G4double G4NistElementBuilder::GetIsotopeMass(G4int Z, G4int N) const
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{
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G4double mass = 0.0;
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if (Z > 0 && Z < maxNumElements) {
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G4int i = N - nFirstIsotope[Z];
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if (i >= 0 && i < nIsotopes[Z]) {
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mass = massIsotopes[i + idxIsotopes[Z]];
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}
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}
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return mass;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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inline G4double G4NistElementBuilder::GetAtomicMass(G4int Z, G4int N) const
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{
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G4double mass = 0.0;
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if (Z > 0 && Z < maxNumElements) {
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G4int i = N - nFirstIsotope[Z];
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if (i >= 0 && i < nIsotopes[Z]) {
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mass = massIsotopes[i + idxIsotopes[Z]] + Z * CLHEP::electron_mass_c2 - bindingEnergy[Z];
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}
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}
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return mass;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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inline G4double G4NistElementBuilder::GetTotalElectronBindingEnergy(G4int Z) const
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{
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return (Z > 0 && Z < maxNumElements) ? bindingEnergy[Z] : 0.0;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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inline G4double G4NistElementBuilder::GetIsotopeAbundance(G4int Z, G4int N) const
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{
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G4double x = 0.0;
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if (Z > 0 && Z < maxNumElements) {
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G4int i = N - nFirstIsotope[Z];
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if (i >= 0 && i < nIsotopes[Z]) {
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x = relAbundance[i + idxIsotopes[Z]];
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}
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}
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return x;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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inline G4int G4NistElementBuilder::GetNistFirstIsotopeN(G4int Z) const
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{
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return (Z > 0 && Z < maxNumElements) ? nFirstIsotope[Z] : 0;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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inline G4int G4NistElementBuilder::GetNumberOfNistIsotopes(G4int Z) const
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{
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return (Z > 0 && Z < maxNumElements) ? nIsotopes[Z] : 0;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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inline const std::vector<G4String>& G4NistElementBuilder::GetElementNames() const
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{
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return elmNames;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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inline G4int G4NistElementBuilder::GetMaxNumElements() const { return maxNumElements - 1; }
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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inline void G4NistElementBuilder::SetVerbose(G4int val) { verbose = val; }
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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inline G4Element* G4NistElementBuilder::FindElement(G4int Z) const
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{
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const G4ElementTable* theElementTable = G4Element::GetElementTable();
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return (Z > 0 && Z < maxNumElements && elmIndex[Z] >= 0) ? (*theElementTable)[elmIndex[Z]]
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: nullptr;
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}
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#endif
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