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