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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27 | // $Id: G4Element.cc,v 1.35 2010/04/30 13:19:26 vnivanch Exp $ |
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28 | // GEANT4 tag $Name: geant4-09-04-beta-cand-01 $ |
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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 "G4AtomicShells.hh" |
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60 | #include <iomanip> |
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61 | |
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62 | G4ElementTable G4Element::theElementTable; |
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63 | |
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64 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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65 | |
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66 | // Constructor to Generate an element from scratch |
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67 | |
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68 | G4Element::G4Element(const G4String& name, const G4String& symbol, |
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69 | G4double zeff, G4double aeff) |
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70 | : fName(name), fSymbol(symbol) |
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71 | { |
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72 | G4int iz = (G4int)zeff; |
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73 | if (zeff<1.) { |
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74 | G4cout << "G4Element ERROR: " << name << " Z= " << zeff |
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75 | << " A= " << aeff/(g/mole) << G4endl; |
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76 | G4Exception (" ERROR from G4Element::G4Element !" |
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77 | " It is not allowed to create an Element with Z < 1" ); |
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78 | } |
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79 | if (std::abs(zeff - iz) > perMillion) { |
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80 | G4cout << "G4Element Warning: " << name << " Z= " << zeff |
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81 | << " A= " << aeff/(g/mole) << G4endl; |
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82 | G4cerr << name << " : WARNING from G4Element::G4Element !" |
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83 | " Trying to define an element as a mixture directly via effective Z." |
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84 | << G4endl; |
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85 | } |
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86 | |
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87 | InitializePointers(); |
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88 | |
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89 | fZeff = zeff; |
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90 | fNeff = aeff/(g/mole); |
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91 | fAeff = aeff; |
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92 | |
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93 | if(fNeff < 1.0) fNeff = 1.0; |
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94 | |
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95 | if (fNeff < zeff) { |
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96 | G4cout << "G4Element ERROR: " << name << " Z= " << zeff |
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97 | << " A= " << fNeff << G4endl; |
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98 | G4Exception (" ERROR from G4Element::G4Element !" |
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99 | " Attempt to create an Element with N < Z !!!" ); |
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100 | } |
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101 | |
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102 | fNbOfAtomicShells = G4AtomicShells::GetNumberOfShells(iz); |
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103 | fAtomicShells = new G4double[fNbOfAtomicShells]; |
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104 | fNbOfShellElectrons = new G4int[fNbOfAtomicShells]; |
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105 | |
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106 | for (G4int i=0;i<fNbOfAtomicShells;i++) |
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107 | { |
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108 | fAtomicShells[i] = G4AtomicShells::GetBindingEnergy(iz, i); |
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109 | fNbOfShellElectrons[i] = G4AtomicShells::GetNumberOfElectrons(iz, i); |
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110 | } |
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111 | ComputeDerivedQuantities(); |
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112 | } |
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113 | |
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114 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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115 | |
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116 | // Constructor to Generate element from a List of 'nIsotopes' isotopes, added |
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117 | // via AddIsotope |
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118 | |
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119 | G4Element::G4Element(const G4String& name, |
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120 | const G4String& symbol, G4int nIsotopes) |
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121 | : fName(name),fSymbol(symbol) |
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122 | { |
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123 | InitializePointers(); |
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124 | |
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125 | size_t n = size_t(nIsotopes); |
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126 | |
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127 | theIsotopeVector = new G4IsotopeVector(n,0); |
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128 | fRelativeAbundanceVector = new G4double[nIsotopes]; |
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129 | } |
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130 | |
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131 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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132 | |
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133 | // Add an isotope to the element |
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134 | |
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135 | void G4Element::AddIsotope(G4Isotope* isotope, G4double abundance) |
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136 | { |
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137 | if (theIsotopeVector == 0) { |
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138 | G4cout << "G4Element ERROR: " << fName << G4endl; |
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139 | G4Exception ("ERROR from G4Element::AddIsotope!" |
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140 | " Trying to add an Isotope before contructing the element."); |
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141 | } |
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142 | G4int iz = isotope->GetZ(); |
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143 | |
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144 | // filling ... |
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145 | if ( fNumberOfIsotopes < theIsotopeVector->size() ) { |
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146 | // check same Z |
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147 | if (fNumberOfIsotopes==0) fZeff = G4double(iz); |
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148 | else if (G4double(iz) != fZeff) { |
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149 | G4Exception ("ERROR from G4Element::AddIsotope!" |
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150 | " Try to add isotopes with different Z"); |
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151 | } |
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152 | //Z ok |
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153 | fRelativeAbundanceVector[fNumberOfIsotopes] = abundance; |
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154 | (*theIsotopeVector)[fNumberOfIsotopes] = isotope; |
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155 | ++fNumberOfIsotopes; |
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156 | isotope->increaseCountUse(); |
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157 | } else { |
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158 | G4cout << "G4Element ERROR: " << fName << G4endl; |
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159 | G4Exception ("ERROR from G4Element::AddIsotope!" |
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160 | " Attempt to add more than the declared number of isotopes."); |
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161 | } |
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162 | |
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163 | // filled. |
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164 | if ( fNumberOfIsotopes == theIsotopeVector->size() ) { |
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165 | // Compute Neff, Aeff |
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166 | G4double wtSum=0.0; |
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167 | |
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168 | fNeff = fAeff = 0.0; |
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169 | for (size_t i=0;i<fNumberOfIsotopes;i++) { |
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170 | fNeff += fRelativeAbundanceVector[i]*(*theIsotopeVector)[i]->GetN(); |
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171 | fAeff += fRelativeAbundanceVector[i]*(*theIsotopeVector)[i]->GetA(); |
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172 | wtSum += fRelativeAbundanceVector[i]; |
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173 | } |
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174 | fNeff /= wtSum; |
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175 | fAeff /= wtSum; |
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176 | |
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177 | fNbOfAtomicShells = G4AtomicShells::GetNumberOfShells(iz); |
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178 | fAtomicShells = new G4double[fNbOfAtomicShells]; |
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179 | fNbOfShellElectrons = new G4int[fNbOfAtomicShells]; |
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180 | |
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181 | for ( G4int j = 0; j < fNbOfAtomicShells; j++ ) |
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182 | { |
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183 | fAtomicShells[j] = G4AtomicShells::GetBindingEnergy(iz, j); |
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184 | fNbOfShellElectrons[j] = G4AtomicShells::GetNumberOfElectrons(iz, j); |
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185 | } |
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186 | ComputeDerivedQuantities(); |
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187 | |
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188 | } |
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189 | } |
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190 | |
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191 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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192 | |
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193 | void G4Element::InitializePointers() |
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194 | { |
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195 | theIsotopeVector = 0; |
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196 | fRelativeAbundanceVector = 0; |
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197 | fAtomicShells = 0; |
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198 | fNbOfShellElectrons = 0; |
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199 | fIonisation = 0; |
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200 | fNumberOfIsotopes = 0; |
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201 | fNaturalAbandances = false; |
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202 | } |
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203 | |
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204 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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205 | |
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206 | // Fake default constructor - sets only member data and allocates memory |
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207 | // for usage restricted to object persistency |
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208 | |
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209 | G4Element::G4Element( __void__& ) |
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210 | : fZeff(0), fNeff(0), fAeff(0), fNbOfAtomicShells(0), |
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211 | fAtomicShells(0), fNbOfShellElectrons(0), fNumberOfIsotopes(0), theIsotopeVector(0), |
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212 | fRelativeAbundanceVector(0), fCountUse(0), fIndexInTable(0), |
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213 | fCoulomb(0), fRadTsai(0), fIonisation(0) |
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214 | { |
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215 | } |
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216 | |
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217 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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218 | |
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219 | G4Element::~G4Element() |
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220 | { |
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221 | // G4cout << "### Destruction of element " << fName << " started" <<G4endl; |
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222 | |
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223 | if (theIsotopeVector) delete theIsotopeVector; |
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224 | if (fRelativeAbundanceVector) delete [] fRelativeAbundanceVector; |
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225 | if (fAtomicShells) delete [] fAtomicShells; |
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226 | if (fNbOfShellElectrons) delete [] fNbOfShellElectrons; |
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227 | if (fIonisation) delete fIonisation; |
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228 | |
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229 | //remove this element from theElementTable |
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230 | theElementTable[fIndexInTable] = 0; |
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231 | } |
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232 | |
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233 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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234 | |
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235 | void G4Element::ComputeDerivedQuantities() |
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236 | { |
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237 | // some basic functions of the atomic number |
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238 | |
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239 | // Store in table |
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240 | theElementTable.push_back(this); |
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241 | fIndexInTable = theElementTable.size() - 1; |
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242 | |
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243 | // check if elements with same Z already exist |
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244 | fIndexZ = 0; |
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245 | for (size_t J=0 ; J<fIndexInTable ; J++) { |
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246 | if (theElementTable[J]->GetZ() == fZeff) fIndexZ++; |
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247 | } |
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248 | //nb of materials which use this element |
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249 | fCountUse = 0; |
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250 | |
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251 | // Radiation Length |
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252 | ComputeCoulombFactor(); |
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253 | ComputeLradTsaiFactor(); |
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254 | |
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255 | // parameters for energy loss by ionisation |
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256 | if (fIonisation) delete fIonisation; |
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257 | fIonisation = new G4IonisParamElm(fZeff); |
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258 | } |
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259 | |
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260 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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261 | |
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262 | void G4Element::ComputeCoulombFactor() |
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263 | { |
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264 | // |
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265 | // Compute Coulomb correction factor (Phys Rev. D50 3-1 (1994) page 1254) |
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266 | |
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267 | const G4double k1 = 0.0083 , k2 = 0.20206 ,k3 = 0.0020 , k4 = 0.0369 ; |
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268 | |
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269 | G4double az2 = (fine_structure_const*fZeff)*(fine_structure_const*fZeff); |
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270 | G4double az4 = az2 * az2; |
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271 | |
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272 | fCoulomb = (k1*az4 + k2 + 1./(1.+az2))*az2 - (k3*az4 + k4)*az4; |
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273 | } |
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274 | |
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275 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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276 | |
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277 | void G4Element::ComputeLradTsaiFactor() |
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278 | { |
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279 | // |
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280 | // Compute Tsai's Expression for the Radiation Length |
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281 | // (Phys Rev. D50 3-1 (1994) page 1254) |
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282 | |
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283 | const G4double Lrad_light[] = {5.31 , 4.79 , 4.74 , 4.71} ; |
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284 | const G4double Lprad_light[] = {6.144 , 5.621 , 5.805 , 5.924} ; |
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285 | |
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286 | const G4double logZ3 = std::log(fZeff)/3.; |
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287 | |
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288 | G4double Lrad, Lprad; |
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289 | G4int iz = (G4int)(fZeff+0.5) - 1 ; |
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290 | if (iz <= 3) { Lrad = Lrad_light[iz] ; Lprad = Lprad_light[iz] ; } |
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291 | else { Lrad = std::log(184.15) - logZ3 ; Lprad = std::log(1194.) - 2*logZ3;} |
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292 | |
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293 | fRadTsai = 4*alpha_rcl2*fZeff*(fZeff*(Lrad-fCoulomb) + Lprad); |
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294 | } |
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295 | |
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296 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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297 | |
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298 | G4double G4Element::GetAtomicShell(G4int i) const |
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299 | { |
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300 | if (i<0 || i>=fNbOfAtomicShells) { |
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301 | G4Exception("Invalid argument in G4Element::GetAtomicShell"); |
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302 | } |
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303 | return fAtomicShells[i]; |
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304 | } |
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305 | |
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306 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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307 | |
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308 | G4int G4Element::GetNbOfShellElectrons(G4int i) const |
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309 | { |
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310 | if (i<0 || i>=fNbOfAtomicShells) { |
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311 | G4Exception("Invalid argument in G4Element::GetNbOfShellElectrons"); |
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312 | } |
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313 | return fNbOfShellElectrons[i]; |
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314 | } |
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315 | |
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316 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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317 | |
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318 | const G4ElementTable* G4Element::GetElementTable() |
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319 | { |
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320 | return &theElementTable; |
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321 | } |
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322 | |
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323 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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324 | |
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325 | size_t G4Element::GetNumberOfElements() |
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326 | { |
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327 | return theElementTable.size(); |
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328 | } |
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329 | |
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330 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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331 | |
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332 | G4Element* G4Element::GetElement(G4String elementName, G4bool warning) |
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333 | { |
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334 | // search the element by its name |
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335 | for (size_t J=0 ; J<theElementTable.size() ; J++) |
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336 | { |
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337 | if (theElementTable[J]->GetName() == elementName) |
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338 | return theElementTable[J]; |
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339 | } |
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340 | |
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341 | // the element does not exist in the table |
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342 | if (warning) { |
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343 | G4cout << "\n---> warning from G4Element::GetElement(). The element: " |
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344 | << elementName << " does not exist in the table. Return NULL pointer." |
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345 | << G4endl; |
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346 | } |
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347 | return 0; |
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348 | } |
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349 | |
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350 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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351 | |
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352 | G4Element::G4Element(G4Element& right) |
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353 | { |
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354 | InitializePointers(); |
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355 | *this = right; |
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356 | |
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357 | // Store this new element in table and set the index |
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358 | theElementTable.push_back(this); |
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359 | fIndexInTable = theElementTable.size() - 1; |
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360 | } |
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361 | |
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362 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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363 | |
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364 | const G4Element& G4Element::operator=(const G4Element& right) |
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365 | { |
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366 | if (this != &right) |
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367 | { |
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368 | fName = right.fName; |
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369 | fSymbol = right.fSymbol; |
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370 | fZeff = right.fZeff; |
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371 | fNeff = right.fNeff; |
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372 | fAeff = right.fAeff; |
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373 | |
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374 | if (fAtomicShells) delete [] fAtomicShells; |
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375 | fNbOfAtomicShells = right.fNbOfAtomicShells; |
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376 | fAtomicShells = new G4double[fNbOfAtomicShells]; |
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377 | |
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378 | if (fNbOfShellElectrons) delete [] fNbOfShellElectrons; |
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379 | fNbOfAtomicShells = right.fNbOfAtomicShells; |
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380 | fNbOfShellElectrons = new G4int[fNbOfAtomicShells]; |
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381 | |
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382 | for ( G4int i = 0; i < fNbOfAtomicShells; i++ ) |
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383 | { |
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384 | fAtomicShells[i] = right.fAtomicShells[i]; |
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385 | fNbOfShellElectrons[i] = right.fNbOfShellElectrons[i]; |
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386 | } |
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387 | if (theIsotopeVector) delete theIsotopeVector; |
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388 | if (fRelativeAbundanceVector) delete [] fRelativeAbundanceVector; |
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389 | |
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390 | fNumberOfIsotopes = right.fNumberOfIsotopes; |
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391 | if (fNumberOfIsotopes > 0) |
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392 | { |
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393 | theIsotopeVector = new G4IsotopeVector(fNumberOfIsotopes,0); |
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394 | fRelativeAbundanceVector = new G4double[fNumberOfIsotopes]; |
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395 | for (size_t i=0;i<fNumberOfIsotopes;i++) |
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396 | { |
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397 | (*theIsotopeVector)[i] = (*right.theIsotopeVector)[i]; |
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398 | fRelativeAbundanceVector[i] = right.fRelativeAbundanceVector[i]; |
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399 | } |
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400 | } |
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401 | ComputeDerivedQuantities(); |
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402 | } |
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403 | return *this; |
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404 | } |
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405 | |
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406 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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407 | |
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408 | G4int G4Element::operator==(const G4Element& right) const |
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409 | { |
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410 | return (this == (G4Element*) &right); |
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411 | } |
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412 | |
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413 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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414 | |
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415 | G4int G4Element::operator!=(const G4Element& right) const |
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416 | { |
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417 | return (this != (G4Element*) &right); |
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418 | } |
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419 | |
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420 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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421 | |
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422 | std::ostream& operator<<(std::ostream& flux, G4Element* element) |
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423 | { |
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424 | std::ios::fmtflags mode = flux.flags(); |
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425 | flux.setf(std::ios::fixed,std::ios::floatfield); |
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426 | G4long prec = flux.precision(3); |
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427 | |
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428 | flux |
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429 | << " Element: " << element->fName << " (" << element->fSymbol << ")" |
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430 | << " Z = " << std::setw(4) << std::setprecision(1) << element->fZeff |
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431 | << " N = " << std::setw(5) << std::setprecision(1) << element->fNeff |
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432 | << " A = " << std::setw(6) << std::setprecision(2) |
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433 | << (element->fAeff)/(g/mole) << " g/mole"; |
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434 | |
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435 | for (size_t i=0; i<element->fNumberOfIsotopes; i++) |
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436 | flux |
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437 | << "\n ---> " << (*(element->theIsotopeVector))[i] |
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438 | << " abundance: " << std::setw(6) << std::setprecision(2) |
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439 | << (element->fRelativeAbundanceVector[i])/perCent << " %"; |
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440 | |
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441 | flux.precision(prec); |
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442 | flux.setf(mode,std::ios::floatfield); |
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443 | return flux; |
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444 | } |
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445 | |
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446 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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447 | |
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448 | std::ostream& operator<<(std::ostream& flux, G4Element& element) |
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449 | { |
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450 | flux << &element; |
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451 | return flux; |
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452 | } |
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453 | |
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454 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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455 | |
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456 | std::ostream& operator<<(std::ostream& flux, G4ElementTable ElementTable) |
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457 | { |
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458 | //Dump info for all known elements |
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459 | flux << "\n***** Table : Nb of elements = " << ElementTable.size() |
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460 | << " *****\n" << G4endl; |
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461 | |
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462 | for (size_t i=0; i<ElementTable.size(); i++) flux << ElementTable[i] |
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463 | << G4endl << G4endl; |
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464 | |
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465 | return flux; |
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466 | } |
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467 | |
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468 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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