[822] | 1 | // |
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| 2 | // ******************************************************************** |
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| 3 | // * License and Disclaimer * |
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| 4 | // * * |
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| 5 | // * The Geant4 software is copyright of the Copyright Holders of * |
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| 6 | // * the Geant4 Collaboration. It is provided under the terms and * |
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| 7 | // * conditions of the Geant4 Software License, included in the file * |
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| 8 | // * LICENSE and available at http://cern.ch/geant4/license . These * |
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| 9 | // * include a list of copyright holders. * |
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| 10 | // * * |
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| 11 | // * Neither the authors of this software system, nor their employing * |
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| 12 | // * institutes,nor the agencies providing financial support for this * |
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| 13 | // * work make any representation or warranty, express or implied, * |
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| 14 | // * regarding this software system or assume any liability for its * |
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| 15 | // * use. Please see the license in the file LICENSE and URL above * |
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| 16 | // * for the full disclaimer and the limitation of liability. * |
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| 17 | // * * |
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| 18 | // * This code implementation is the result of the scientific and * |
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| 19 | // * technical work of the GEANT4 collaboration. * |
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| 20 | // * By using, copying, modifying or distributing the software (or * |
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| 21 | // * any work based on the software) you agree to acknowledge its * |
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| 22 | // * use in resulting scientific publications, and indicate your * |
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| 23 | // * acceptance of all terms of the Geant4 Software license. * |
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| 24 | // ******************************************************************** |
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| 25 | // |
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| 26 | // |
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[850] | 27 | // $Id: G4Element.cc,v 1.31 2008/08/11 11:53:11 vnivanch Exp $ |
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| 28 | // GEANT4 tag $Name: HEAD $ |
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[822] | 29 | // |
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| 30 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 31 | |
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| 32 | // 26-06-96: Code uses operators (+=, *=, ++, -> etc.) correctly, P. Urban |
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| 33 | // 09-07-96: new data members added by L.Urban |
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| 34 | // 17-01-97: aesthetic rearrangement, M.Maire |
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| 35 | // 20-01-97: Compute Tsai's formula for the rad length, M.Maire |
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| 36 | // 21-01-97: remove mixture flag, M.Maire |
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| 37 | // 24-01-97: ComputeIonisationParameters(). |
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| 38 | // new data member: fTaul, M.Maire |
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| 39 | // 29-01-97: Forbidden to create Element with Z<1 or N<Z, M.Maire |
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| 40 | // 20-03-97: corrected initialization of pointers, M.Maire |
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| 41 | // 28-04-98: atomic subshell binding energies stuff, V. Grichine |
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| 42 | // 09-07-98: Ionisation parameters removed from the class, M.Maire |
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| 43 | // 16-11-98: name Subshell -> Shell; GetBindingEnergy() (mma) |
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| 44 | // 09-03-01: assignement operator revised (mma) |
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| 45 | // 02-05-01: check identical Z in AddIsotope (marc) |
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| 46 | // 03-05-01: flux.precision(prec) at begin/end of operator<< |
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| 47 | // 13-09-01: suppression of the data member fIndexInTable |
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| 48 | // 14-09-01: fCountUse: nb of materials which use this element |
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| 49 | // 26-02-02: fIndexInTable renewed |
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| 50 | // 30-03-05: warning in GetElement(elementName) |
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| 51 | // 15-11-05: GetElement(elementName, G4bool warning=true) |
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| 52 | // 17-10-06: Add fNaturalAbandances (V.Ivanchenko) |
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| 53 | // 27-07-07, improve destructor (V.Ivanchenko) |
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| 54 | // 18-10-07, move definition of material index to ComputeDerivedQuantities (V.Ivanchenko) |
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| 55 | |
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| 56 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 57 | |
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| 58 | #include "G4Element.hh" |
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| 59 | #include <iomanip> |
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| 60 | |
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| 61 | G4ElementTable G4Element::theElementTable; |
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| 62 | |
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| 63 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 64 | |
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| 65 | // Constructor to Generate an element from scratch |
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| 66 | |
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| 67 | G4Element::G4Element(const G4String& name, const G4String& symbol, |
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| 68 | G4double zeff, G4double aeff) |
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| 69 | : fName(name), fSymbol(symbol) |
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| 70 | { |
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[850] | 71 | G4int iz = (G4int)zeff; |
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| 72 | if (zeff<1.) { |
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| 73 | G4cout << "G4Element ERROR: " << name << " Z= " << zeff |
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| 74 | << " A= " << aeff/(g/mole) << G4endl; |
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| 75 | G4Exception (" ERROR from G4Element::G4Element !" |
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| 76 | " It is not allowed to create an Element with Z < 1" ); |
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| 77 | } |
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| 78 | if (std::abs(zeff - iz) > perMillion) { |
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| 79 | G4cout << "G4Element Warning: " << name << " Z= " << zeff |
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| 80 | << " A= " << aeff/(g/mole) << G4endl; |
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[822] | 81 | G4cerr << name << " : WARNING from G4Element::G4Element !" |
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| 82 | " Trying to define an element as a mixture directly via effective Z." |
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| 83 | << G4endl; |
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[850] | 84 | } |
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[822] | 85 | |
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| 86 | InitializePointers(); |
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| 87 | |
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| 88 | fZeff = zeff; |
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| 89 | fNeff = aeff/(g/mole); |
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| 90 | fAeff = aeff; |
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[850] | 91 | |
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| 92 | if(fNeff < 1.0) fNeff = 1.0; |
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| 93 | |
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| 94 | if (fNeff < zeff) { |
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| 95 | G4cout << "G4Element ERROR: " << name << " Z= " << zeff |
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| 96 | << " A= " << fNeff << G4endl; |
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| 97 | G4Exception (" ERROR from G4Element::G4Element !" |
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| 98 | " Attempt to create an Element with N < Z !!!" ); |
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| 99 | } |
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[822] | 100 | |
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[850] | 101 | fNbOfAtomicShells = G4AtomicShells::GetNumberOfShells(iz); |
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[822] | 102 | fAtomicShells = new G4double[fNbOfAtomicShells]; |
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[850] | 103 | for (G4int i=0;i<fNbOfAtomicShells;i++) { |
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| 104 | fAtomicShells[i] = G4AtomicShells::GetBindingEnergy(iz, i); |
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| 105 | } |
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[822] | 106 | ComputeDerivedQuantities(); |
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| 107 | } |
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| 108 | |
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| 109 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 110 | |
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| 111 | // Constructor to Generate element from a List of 'nIsotopes' isotopes, added |
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| 112 | // via AddIsotope |
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| 113 | |
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| 114 | G4Element::G4Element(const G4String& name, |
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| 115 | const G4String& symbol, G4int nIsotopes) |
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| 116 | : fName(name),fSymbol(symbol) |
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| 117 | { |
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| 118 | InitializePointers(); |
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| 119 | |
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| 120 | size_t n = size_t(nIsotopes); |
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| 121 | |
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| 122 | theIsotopeVector = new G4IsotopeVector(n,0); |
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| 123 | fRelativeAbundanceVector = new G4double[nIsotopes]; |
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| 124 | } |
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| 125 | |
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| 126 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 127 | |
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| 128 | // Add an isotope to the element |
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| 129 | |
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| 130 | void G4Element::AddIsotope(G4Isotope* isotope, G4double abundance) |
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| 131 | { |
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[850] | 132 | if (theIsotopeVector == 0) { |
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| 133 | G4cout << "G4Element ERROR: " << fName << G4endl; |
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[822] | 134 | G4Exception ("ERROR from G4Element::AddIsotope!" |
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| 135 | " Trying to add an Isotope before contructing the element."); |
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[850] | 136 | } |
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| 137 | G4int iz = isotope->GetZ(); |
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[822] | 138 | |
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| 139 | // filling ... |
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| 140 | if ( fNumberOfIsotopes < theIsotopeVector->size() ) { |
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| 141 | // check same Z |
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[850] | 142 | if (fNumberOfIsotopes==0) fZeff = G4double(iz); |
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| 143 | else if (G4double(iz) != fZeff) { |
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[822] | 144 | G4Exception ("ERROR from G4Element::AddIsotope!" |
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| 145 | " Try to add isotopes with different Z"); |
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[850] | 146 | } |
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[822] | 147 | //Z ok |
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| 148 | fRelativeAbundanceVector[fNumberOfIsotopes] = abundance; |
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| 149 | (*theIsotopeVector)[fNumberOfIsotopes] = isotope; |
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| 150 | ++fNumberOfIsotopes; |
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| 151 | isotope->increaseCountUse(); |
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[850] | 152 | } else { |
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| 153 | G4cout << "G4Element ERROR: " << fName << G4endl; |
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| 154 | G4Exception ("ERROR from G4Element::AddIsotope!" |
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| 155 | " Attempt to add more than the declared number of isotopes."); |
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| 156 | } |
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[822] | 157 | |
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| 158 | // filled. |
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| 159 | if ( fNumberOfIsotopes == theIsotopeVector->size() ) { |
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| 160 | // Compute Neff, Aeff |
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| 161 | G4double wtSum=0.0; |
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| 162 | |
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| 163 | fNeff = fAeff = 0.0; |
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| 164 | for (size_t i=0;i<fNumberOfIsotopes;i++) { |
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| 165 | fNeff += fRelativeAbundanceVector[i]*(*theIsotopeVector)[i]->GetN(); |
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| 166 | fAeff += fRelativeAbundanceVector[i]*(*theIsotopeVector)[i]->GetA(); |
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| 167 | wtSum += fRelativeAbundanceVector[i]; |
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| 168 | } |
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| 169 | fNeff /= wtSum; |
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| 170 | fAeff /= wtSum; |
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| 171 | |
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[850] | 172 | fNbOfAtomicShells = G4AtomicShells::GetNumberOfShells(iz); |
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[822] | 173 | fAtomicShells = new G4double[fNbOfAtomicShells]; |
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[850] | 174 | for (G4int j=0;j<fNbOfAtomicShells;j++) { |
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| 175 | fAtomicShells[j] = G4AtomicShells::GetBindingEnergy(iz, j); |
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| 176 | } |
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[822] | 177 | |
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| 178 | ComputeDerivedQuantities(); |
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| 179 | |
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| 180 | } |
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| 181 | } |
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| 182 | |
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| 183 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 184 | |
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| 185 | void G4Element::InitializePointers() |
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| 186 | { |
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| 187 | theIsotopeVector = 0; |
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| 188 | fRelativeAbundanceVector = 0; |
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| 189 | fAtomicShells = 0; |
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| 190 | fIonisation = 0; |
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| 191 | fNumberOfIsotopes = 0; |
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| 192 | fNaturalAbandances = false; |
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| 193 | } |
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| 194 | |
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| 195 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 196 | |
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| 197 | // Fake default constructor - sets only member data and allocates memory |
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| 198 | // for usage restricted to object persistency |
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| 199 | |
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| 200 | G4Element::G4Element( __void__& ) |
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| 201 | : fZeff(0), fNeff(0), fAeff(0), fNbOfAtomicShells(0), |
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| 202 | fAtomicShells(0), fNumberOfIsotopes(0), theIsotopeVector(0), |
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| 203 | fRelativeAbundanceVector(0), fCountUse(0), fIndexInTable(0), |
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| 204 | fCoulomb(0), fRadTsai(0), fIonisation(0) |
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| 205 | { |
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| 206 | } |
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| 207 | |
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| 208 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 209 | |
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| 210 | G4Element::~G4Element() |
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| 211 | { |
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| 212 | // G4cout << "### Destruction of element " << fName << " started" <<G4endl; |
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| 213 | |
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| 214 | if (theIsotopeVector) delete theIsotopeVector; |
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| 215 | if (fRelativeAbundanceVector) delete [] fRelativeAbundanceVector; |
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| 216 | if (fAtomicShells) delete [] fAtomicShells; |
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| 217 | if (fIonisation) delete fIonisation; |
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| 218 | |
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| 219 | //remove this element from theElementTable |
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| 220 | theElementTable[fIndexInTable] = 0; |
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| 221 | } |
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| 222 | |
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| 223 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 224 | |
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| 225 | void G4Element::ComputeDerivedQuantities() |
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| 226 | { |
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| 227 | // some basic functions of the atomic number |
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| 228 | |
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| 229 | // Store in table |
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| 230 | theElementTable.push_back(this); |
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| 231 | fIndexInTable = theElementTable.size() - 1; |
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| 232 | |
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| 233 | // check if elements with same Z already exist |
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| 234 | fIndexZ = 0; |
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[850] | 235 | for (size_t J=0 ; J<fIndexInTable ; J++) { |
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[822] | 236 | if (theElementTable[J]->GetZ() == fZeff) fIndexZ++; |
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[850] | 237 | } |
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[822] | 238 | //nb of materials which use this element |
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| 239 | fCountUse = 0; |
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| 240 | |
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| 241 | // Radiation Length |
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| 242 | ComputeCoulombFactor(); |
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| 243 | ComputeLradTsaiFactor(); |
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| 244 | |
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| 245 | // parameters for energy loss by ionisation |
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| 246 | if (fIonisation) delete fIonisation; |
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| 247 | fIonisation = new G4IonisParamElm(fZeff); |
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| 248 | } |
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| 249 | |
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| 250 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 251 | |
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| 252 | void G4Element::ComputeCoulombFactor() |
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| 253 | { |
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| 254 | // |
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| 255 | // Compute Coulomb correction factor (Phys Rev. D50 3-1 (1994) page 1254) |
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| 256 | |
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| 257 | const G4double k1 = 0.0083 , k2 = 0.20206 ,k3 = 0.0020 , k4 = 0.0369 ; |
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| 258 | |
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| 259 | G4double az2 = (fine_structure_const*fZeff)*(fine_structure_const*fZeff); |
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| 260 | G4double az4 = az2 * az2; |
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| 261 | |
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| 262 | fCoulomb = (k1*az4 + k2 + 1./(1.+az2))*az2 - (k3*az4 + k4)*az4; |
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| 263 | } |
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| 264 | |
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| 265 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 266 | |
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| 267 | void G4Element::ComputeLradTsaiFactor() |
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| 268 | { |
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| 269 | // |
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| 270 | // Compute Tsai's Expression for the Radiation Length |
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| 271 | // (Phys Rev. D50 3-1 (1994) page 1254) |
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| 272 | |
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| 273 | const G4double Lrad_light[] = {5.31 , 4.79 , 4.74 , 4.71} ; |
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| 274 | const G4double Lprad_light[] = {6.144 , 5.621 , 5.805 , 5.924} ; |
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| 275 | |
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| 276 | const G4double logZ3 = std::log(fZeff)/3.; |
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| 277 | |
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| 278 | G4double Lrad, Lprad; |
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[850] | 279 | G4int iz = (G4int)(fZeff+0.5) - 1 ; |
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[822] | 280 | if (iz <= 3) { Lrad = Lrad_light[iz] ; Lprad = Lprad_light[iz] ; } |
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| 281 | else { Lrad = std::log(184.15) - logZ3 ; Lprad = std::log(1194.) - 2*logZ3;} |
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| 282 | |
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| 283 | fRadTsai = 4*alpha_rcl2*fZeff*(fZeff*(Lrad-fCoulomb) + Lprad); |
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| 284 | } |
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| 285 | |
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| 286 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 287 | |
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| 288 | G4double G4Element::GetAtomicShell(G4int i) const |
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| 289 | { |
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| 290 | if (i<0 || i>=fNbOfAtomicShells) |
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| 291 | G4Exception("Invalid argument in G4Element::GetAtomicShell"); |
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| 292 | return fAtomicShells[i]; |
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| 293 | } |
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| 294 | |
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| 295 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 296 | |
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| 297 | const G4ElementTable* G4Element::GetElementTable() |
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| 298 | { |
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| 299 | return &theElementTable; |
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| 300 | } |
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| 301 | |
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| 302 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 303 | |
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| 304 | size_t G4Element::GetNumberOfElements() |
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| 305 | { |
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| 306 | return theElementTable.size(); |
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| 307 | } |
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| 308 | |
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| 309 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 310 | |
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| 311 | G4Element* G4Element::GetElement(G4String elementName, G4bool warning) |
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| 312 | { |
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| 313 | // search the element by its name |
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| 314 | for (size_t J=0 ; J<theElementTable.size() ; J++) |
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| 315 | { |
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| 316 | if (theElementTable[J]->GetName() == elementName) |
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| 317 | return theElementTable[J]; |
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| 318 | } |
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| 319 | |
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| 320 | // the element does not exist in the table |
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| 321 | if (warning) { |
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| 322 | G4cout << "\n---> warning from G4Element::GetElement(). The element: " |
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| 323 | << elementName << " does not exist in the table. Return NULL pointer." |
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| 324 | << G4endl; |
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| 325 | } |
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| 326 | return 0; |
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| 327 | } |
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| 328 | |
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| 329 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 330 | |
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| 331 | G4Element::G4Element(G4Element& right) |
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| 332 | { |
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| 333 | InitializePointers(); |
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| 334 | *this = right; |
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| 335 | |
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| 336 | // Store this new element in table and set the index |
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| 337 | theElementTable.push_back(this); |
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| 338 | fIndexInTable = theElementTable.size() - 1; |
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| 339 | } |
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| 340 | |
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| 341 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 342 | |
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| 343 | const G4Element& G4Element::operator=(const G4Element& right) |
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| 344 | { |
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| 345 | if (this != &right) |
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| 346 | { |
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| 347 | fName = right.fName; |
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| 348 | fSymbol = right.fSymbol; |
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| 349 | fZeff = right.fZeff; |
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| 350 | fNeff = right.fNeff; |
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| 351 | fAeff = right.fAeff; |
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| 352 | |
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| 353 | if (fAtomicShells) delete [] fAtomicShells; |
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| 354 | fNbOfAtomicShells = right.fNbOfAtomicShells; |
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| 355 | fAtomicShells = new G4double[fNbOfAtomicShells]; |
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| 356 | for (G4int i=0;i<fNbOfAtomicShells;i++) |
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| 357 | fAtomicShells[i] = right.fAtomicShells[i]; |
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| 358 | |
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| 359 | if (theIsotopeVector) delete theIsotopeVector; |
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| 360 | if (fRelativeAbundanceVector) delete [] fRelativeAbundanceVector; |
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| 361 | |
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| 362 | fNumberOfIsotopes = right.fNumberOfIsotopes; |
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| 363 | if (fNumberOfIsotopes > 0) |
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| 364 | { |
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| 365 | theIsotopeVector = new G4IsotopeVector(fNumberOfIsotopes,0); |
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| 366 | fRelativeAbundanceVector = new G4double[fNumberOfIsotopes]; |
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| 367 | for (size_t i=0;i<fNumberOfIsotopes;i++) |
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| 368 | { |
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| 369 | (*theIsotopeVector)[i] = (*right.theIsotopeVector)[i]; |
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| 370 | fRelativeAbundanceVector[i] = right.fRelativeAbundanceVector[i]; |
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| 371 | } |
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| 372 | } |
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| 373 | ComputeDerivedQuantities(); |
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| 374 | } |
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| 375 | return *this; |
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| 376 | } |
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| 377 | |
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| 378 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 379 | |
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| 380 | G4int G4Element::operator==(const G4Element& right) const |
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| 381 | { |
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| 382 | return (this == (G4Element*) &right); |
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| 383 | } |
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| 384 | |
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| 385 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 386 | |
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| 387 | G4int G4Element::operator!=(const G4Element& right) const |
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| 388 | { |
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| 389 | return (this != (G4Element*) &right); |
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| 390 | } |
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| 391 | |
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| 392 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 393 | |
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| 394 | std::ostream& operator<<(std::ostream& flux, G4Element* element) |
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| 395 | { |
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| 396 | std::ios::fmtflags mode = flux.flags(); |
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| 397 | flux.setf(std::ios::fixed,std::ios::floatfield); |
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| 398 | G4long prec = flux.precision(3); |
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| 399 | |
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| 400 | flux |
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| 401 | << " Element: " << element->fName << " (" << element->fSymbol << ")" |
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| 402 | << " Z = " << std::setw(4) << std::setprecision(1) << element->fZeff |
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| 403 | << " N = " << std::setw(5) << std::setprecision(1) << element->fNeff |
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| 404 | << " A = " << std::setw(6) << std::setprecision(2) |
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| 405 | << (element->fAeff)/(g/mole) << " g/mole"; |
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| 406 | |
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| 407 | for (size_t i=0; i<element->fNumberOfIsotopes; i++) |
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| 408 | flux |
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| 409 | << "\n ---> " << (*(element->theIsotopeVector))[i] |
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| 410 | << " abundance: " << std::setw(6) << std::setprecision(2) |
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| 411 | << (element->fRelativeAbundanceVector[i])/perCent << " %"; |
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| 412 | |
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| 413 | flux.precision(prec); |
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| 414 | flux.setf(mode,std::ios::floatfield); |
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| 415 | return flux; |
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| 416 | } |
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| 417 | |
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| 418 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 419 | |
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| 420 | std::ostream& operator<<(std::ostream& flux, G4Element& element) |
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| 421 | { |
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| 422 | flux << &element; |
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| 423 | return flux; |
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| 424 | } |
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| 425 | |
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| 426 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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| 427 | |
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| 428 | std::ostream& operator<<(std::ostream& flux, G4ElementTable ElementTable) |
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| 429 | { |
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| 430 | //Dump info for all known elements |
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| 431 | flux << "\n***** Table : Nb of elements = " << ElementTable.size() |
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| 432 | << " *****\n" << G4endl; |
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| 433 | |
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| 434 | for (size_t i=0; i<ElementTable.size(); i++) flux << ElementTable[i] |
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| 435 | << G4endl << G4endl; |
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| 436 | |
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| 437 | return flux; |
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| 438 | } |
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| 439 | |
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| 440 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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