Gabriele Cosmo
477 lines
16 KiB
C++
477 lines
16 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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//
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// $Id: G4Element.cc,v 1.36 2010-10-25 07:58:15 vnivanch Exp $
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// GEANT4 tag $Name: not supported by cvs2svn $
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//
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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// 26-06-96: Code uses operators (+=, *=, ++, -> etc.) correctly, P. Urban
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// 09-07-96: new data members added by L.Urban
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// 17-01-97: aesthetic rearrangement, M.Maire
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// 20-01-97: Compute Tsai's formula for the rad length, M.Maire
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// 21-01-97: remove mixture flag, M.Maire
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// 24-01-97: ComputeIonisationParameters().
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// new data member: fTaul, M.Maire
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// 29-01-97: Forbidden to create Element with Z<1 or N<Z, M.Maire
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// 20-03-97: corrected initialization of pointers, M.Maire
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// 28-04-98: atomic subshell binding energies stuff, V. Grichine
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// 09-07-98: Ionisation parameters removed from the class, M.Maire
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// 16-11-98: name Subshell -> Shell; GetBindingEnergy() (mma)
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// 09-03-01: assignement operator revised (mma)
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// 02-05-01: check identical Z in AddIsotope (marc)
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// 03-05-01: flux.precision(prec) at begin/end of operator<<
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// 13-09-01: suppression of the data member fIndexInTable
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// 14-09-01: fCountUse: nb of materials which use this element
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// 26-02-02: fIndexInTable renewed
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// 30-03-05: warning in GetElement(elementName)
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// 15-11-05: GetElement(elementName, G4bool warning=true)
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// 17-10-06: Add fNaturalAbandances (V.Ivanchenko)
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// 27-07-07, improve destructor (V.Ivanchenko)
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// 18-10-07, move definition of material index to ComputeDerivedQuantities (V.Ivanchenko)
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// 25.10.11: new scheme for G4Exception (mma)
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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#include "G4Element.hh"
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#include "G4AtomicShells.hh"
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#include <iomanip>
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G4ElementTable G4Element::theElementTable;
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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// Constructor to Generate an element from scratch
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G4Element::G4Element(const G4String& name, const G4String& symbol,
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G4double zeff, G4double aeff)
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: fName(name), fSymbol(symbol)
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{
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G4int iz = (G4int)zeff;
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if (zeff<1.) {
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G4Exception ("G4Element::G4Element()", "mat011", FatalException,
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"G4Element ERROR ! It is not allowed to create an Element with Z < 1" );
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}
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if (std::abs(zeff - iz) > perMillion) {
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G4cout << "G4Element Warning: " << name << " Z= " << zeff
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<< " A= " << aeff/(g/mole) << G4endl;
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G4cerr << name << " : WARNING from G4Element::G4Element !"
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" Trying to define an element as a mixture directly via effective Z."
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<< G4endl;
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}
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InitializePointers();
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fZeff = zeff;
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fNeff = aeff/(g/mole);
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fAeff = aeff;
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if(fNeff < 1.0) fNeff = 1.0;
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if (fNeff < zeff) {
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G4Exception ("G4Element::G4Element()", "mat012", FatalException,
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"G4Element ERROR ! Attempt to create an Element with N < Z !!!" );
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}
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fNbOfAtomicShells = G4AtomicShells::GetNumberOfShells(iz);
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fAtomicShells = new G4double[fNbOfAtomicShells];
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fNbOfShellElectrons = new G4int[fNbOfAtomicShells];
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for (G4int i=0;i<fNbOfAtomicShells;i++)
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{
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fAtomicShells[i] = G4AtomicShells::GetBindingEnergy(iz, i);
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fNbOfShellElectrons[i] = G4AtomicShells::GetNumberOfElectrons(iz, i);
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}
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ComputeDerivedQuantities();
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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// Constructor to Generate element from a List of 'nIsotopes' isotopes, added
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// via AddIsotope
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G4Element::G4Element(const G4String& name,
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const G4String& symbol, G4int nIsotopes)
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: fName(name),fSymbol(symbol)
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{
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InitializePointers();
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size_t n = size_t(nIsotopes);
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theIsotopeVector = new G4IsotopeVector(n,0);
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fRelativeAbundanceVector = new G4double[nIsotopes];
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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// Add an isotope to the element
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void G4Element::AddIsotope(G4Isotope* isotope, G4double abundance)
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{
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if (theIsotopeVector == 0) {
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G4Exception ("G4Element::AddIsotope()", "mat013", FatalException,
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" Trying to add an Isotope before contructing the element.");
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return;
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}
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G4int iz = isotope->GetZ();
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// filling ...
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if ( fNumberOfIsotopes < theIsotopeVector->size() ) {
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// check same Z
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if (fNumberOfIsotopes==0) { fZeff = G4double(iz); }
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else if (G4double(iz) != fZeff) {
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G4Exception ("G4Element::AddIsotope()", "mat014", FatalException,
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" Try to add isotopes with different Z");
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}
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//Z ok
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fRelativeAbundanceVector[fNumberOfIsotopes] = abundance;
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(*theIsotopeVector)[fNumberOfIsotopes] = isotope;
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++fNumberOfIsotopes;
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isotope->increaseCountUse();
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} else {
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G4Exception ("G4Element::AddIsotope()", "mat015", FatalException,
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" Attempt to add more than the declared number of isotopes.");
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}
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// filled.
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if ( fNumberOfIsotopes == theIsotopeVector->size() ) {
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// Compute Neff, Aeff
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G4double wtSum=0.0;
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fNeff = fAeff = 0.0;
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for (size_t i=0;i<fNumberOfIsotopes;i++) {
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fNeff += fRelativeAbundanceVector[i]*(*theIsotopeVector)[i]->GetN();
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fAeff += fRelativeAbundanceVector[i]*(*theIsotopeVector)[i]->GetA();
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wtSum += fRelativeAbundanceVector[i];
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}
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fNeff /= wtSum;
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fAeff /= wtSum;
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fNbOfAtomicShells = G4AtomicShells::GetNumberOfShells(iz);
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fAtomicShells = new G4double[fNbOfAtomicShells];
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fNbOfShellElectrons = new G4int[fNbOfAtomicShells];
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for ( G4int j = 0; j < fNbOfAtomicShells; j++ )
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{
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fAtomicShells[j] = G4AtomicShells::GetBindingEnergy(iz, j);
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fNbOfShellElectrons[j] = G4AtomicShells::GetNumberOfElectrons(iz, j);
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}
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ComputeDerivedQuantities();
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}
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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void G4Element::InitializePointers()
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{
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theIsotopeVector = 0;
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fRelativeAbundanceVector = 0;
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fAtomicShells = 0;
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fNbOfShellElectrons = 0;
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fIonisation = 0;
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fNumberOfIsotopes = 0;
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fNaturalAbandances = false;
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// add initialisation of all remaining members
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fZeff = 0;
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fNeff = 0;
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fAeff = 0;
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fNbOfAtomicShells = 0;
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fCountUse = 0;
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fIndexZ = 0;
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fIndexInTable = 0;
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fNaturalAbandances = false;
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fCoulomb = 0.0;
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fRadTsai = 0.0;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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// Fake default constructor - sets only member data and allocates memory
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// for usage restricted to object persistency
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G4Element::G4Element( __void__& )
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: fZeff(0), fNeff(0), fAeff(0)
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{
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InitializePointers();
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4Element::~G4Element()
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{
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// G4cout << "### Destruction of element " << fName << " started" <<G4endl;
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if (theIsotopeVector) { delete theIsotopeVector; }
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if (fRelativeAbundanceVector) { delete [] fRelativeAbundanceVector; }
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if (fAtomicShells) { delete [] fAtomicShells; }
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if (fNbOfShellElectrons) { delete [] fNbOfShellElectrons; }
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if (fIonisation) { delete fIonisation; }
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//remove this element from theElementTable
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theElementTable[fIndexInTable] = 0;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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void G4Element::ComputeDerivedQuantities()
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{
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// some basic functions of the atomic number
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// Store in table
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theElementTable.push_back(this);
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fIndexInTable = theElementTable.size() - 1;
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// check if elements with same Z already exist
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fIndexZ = 0;
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for (size_t J=0 ; J<fIndexInTable ; J++) {
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if (theElementTable[J]->GetZ() == fZeff) fIndexZ++;
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}
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//nb of materials which use this element
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fCountUse = 0;
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// Radiation Length
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ComputeCoulombFactor();
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ComputeLradTsaiFactor();
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// parameters for energy loss by ionisation
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if (fIonisation) { delete fIonisation; }
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fIonisation = new G4IonisParamElm(fZeff);
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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void G4Element::ComputeCoulombFactor()
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{
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//
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// Compute Coulomb correction factor (Phys Rev. D50 3-1 (1994) page 1254)
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const G4double k1 = 0.0083 , k2 = 0.20206 ,k3 = 0.0020 , k4 = 0.0369 ;
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G4double az2 = (fine_structure_const*fZeff)*(fine_structure_const*fZeff);
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G4double az4 = az2 * az2;
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fCoulomb = (k1*az4 + k2 + 1./(1.+az2))*az2 - (k3*az4 + k4)*az4;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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void G4Element::ComputeLradTsaiFactor()
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{
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//
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// Compute Tsai's Expression for the Radiation Length
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// (Phys Rev. D50 3-1 (1994) page 1254)
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const G4double Lrad_light[] = {5.31 , 4.79 , 4.74 , 4.71} ;
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const G4double Lprad_light[] = {6.144 , 5.621 , 5.805 , 5.924} ;
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const G4double logZ3 = std::log(fZeff)/3.;
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G4double Lrad, Lprad;
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G4int iz = (G4int)(fZeff+0.5) - 1 ;
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if (iz <= 3) { Lrad = Lrad_light[iz] ; Lprad = Lprad_light[iz] ; }
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else { Lrad = std::log(184.15) - logZ3 ; Lprad = std::log(1194.) - 2*logZ3;}
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fRadTsai = 4*alpha_rcl2*fZeff*(fZeff*(Lrad-fCoulomb) + Lprad);
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4double G4Element::GetAtomicShell(G4int i) const
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{
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if (i<0 || i>=fNbOfAtomicShells) {
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G4Exception("G4Element::GetAtomicShell()", "mat016", FatalException,
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"Invalid argument in GetAtomicShell()");
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}
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return fAtomicShells[i];
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4int G4Element::GetNbOfShellElectrons(G4int i) const
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{
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if (i<0 || i>=fNbOfAtomicShells) {
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G4Exception("G4Element::GetNbOfShellElectrons()", "mat017", FatalException,
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"Invalid argument in GetNbOfShellElectrons");
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}
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return fNbOfShellElectrons[i];
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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const G4ElementTable* G4Element::GetElementTable()
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{
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return &theElementTable;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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size_t G4Element::GetNumberOfElements()
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{
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return theElementTable.size();
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4Element* G4Element::GetElement(G4String elementName, G4bool warning)
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{
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// search the element by its name
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for (size_t J=0 ; J<theElementTable.size() ; J++)
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{
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if (theElementTable[J]->GetName() == elementName)
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return theElementTable[J];
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}
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// the element does not exist in the table
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if (warning) {
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G4cout << "\n---> warning from G4Element::GetElement(). The element: "
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<< elementName << " does not exist in the table. Return NULL pointer."
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<< G4endl;
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}
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return 0;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4Element::G4Element(G4Element& right)
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{
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InitializePointers();
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*this = right;
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// Store this new element in table and set the index
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theElementTable.push_back(this);
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fIndexInTable = theElementTable.size() - 1;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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const G4Element& G4Element::operator=(const G4Element& right)
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{
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if (this != &right)
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{
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fName = right.fName;
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fSymbol = right.fSymbol;
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fZeff = right.fZeff;
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fNeff = right.fNeff;
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fAeff = right.fAeff;
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if (fAtomicShells) delete [] fAtomicShells;
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fNbOfAtomicShells = right.fNbOfAtomicShells;
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fAtomicShells = new G4double[fNbOfAtomicShells];
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if (fNbOfShellElectrons) delete [] fNbOfShellElectrons;
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fNbOfAtomicShells = right.fNbOfAtomicShells;
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fNbOfShellElectrons = new G4int[fNbOfAtomicShells];
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for ( G4int i = 0; i < fNbOfAtomicShells; i++ )
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{
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fAtomicShells[i] = right.fAtomicShells[i];
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fNbOfShellElectrons[i] = right.fNbOfShellElectrons[i];
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}
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if (theIsotopeVector) delete theIsotopeVector;
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if (fRelativeAbundanceVector) delete [] fRelativeAbundanceVector;
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fNumberOfIsotopes = right.fNumberOfIsotopes;
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if (fNumberOfIsotopes > 0)
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{
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theIsotopeVector = new G4IsotopeVector(fNumberOfIsotopes,0);
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fRelativeAbundanceVector = new G4double[fNumberOfIsotopes];
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for (size_t i=0;i<fNumberOfIsotopes;i++)
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{
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(*theIsotopeVector)[i] = (*right.theIsotopeVector)[i];
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fRelativeAbundanceVector[i] = right.fRelativeAbundanceVector[i];
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}
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}
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ComputeDerivedQuantities();
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}
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return *this;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4int G4Element::operator==(const G4Element& right) const
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{
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return (this == (G4Element*) &right);
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4int G4Element::operator!=(const G4Element& right) const
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{
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return (this != (G4Element*) &right);
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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std::ostream& operator<<(std::ostream& flux, G4Element* element)
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{
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std::ios::fmtflags mode = flux.flags();
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flux.setf(std::ios::fixed,std::ios::floatfield);
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G4long prec = flux.precision(3);
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flux
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<< " Element: " << element->fName << " (" << element->fSymbol << ")"
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<< " Z = " << std::setw(4) << std::setprecision(1) << element->fZeff
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<< " N = " << std::setw(5) << std::setprecision(1) << element->fNeff
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<< " A = " << std::setw(6) << std::setprecision(2)
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<< (element->fAeff)/(g/mole) << " g/mole";
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for (size_t i=0; i<element->fNumberOfIsotopes; i++)
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flux
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<< "\n ---> " << (*(element->theIsotopeVector))[i]
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<< " abundance: " << std::setw(6) << std::setprecision(2)
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<< (element->fRelativeAbundanceVector[i])/perCent << " %";
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flux.precision(prec);
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flux.setf(mode,std::ios::floatfield);
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return flux;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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std::ostream& operator<<(std::ostream& flux, G4Element& element)
|
|
{
|
|
flux << &element;
|
|
return flux;
|
|
}
|
|
|
|
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
|
|
|
|
std::ostream& operator<<(std::ostream& flux, G4ElementTable ElementTable)
|
|
{
|
|
//Dump info for all known elements
|
|
flux << "\n***** Table : Nb of elements = " << ElementTable.size()
|
|
<< " *****\n" << G4endl;
|
|
|
|
for (size_t i=0; i<ElementTable.size(); i++) flux << ElementTable[i]
|
|
<< G4endl << G4endl;
|
|
|
|
return flux;
|
|
}
|
|
|
|
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
|