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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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 | // $Id: G4NistElementBuilder.hh,v 1.13 2007/07/26 18:52:12 vnivanch Exp $ |
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27 | // GEANT4 tag $Name: $ |
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28 | |
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29 | #ifndef G4NistElementBuilder_h |
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30 | #define G4NistElementBuilder_h 1 |
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31 | |
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32 | //--------------------------------------------------------------------------- |
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33 | // |
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34 | // ClassName: G4NistElementBuilder |
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35 | // |
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36 | // Description: Utility class to hold and manipulate G4Elements defined from |
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37 | // Nist data base |
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38 | // |
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39 | // Author: V.Ivanchenko 21.11.2004 |
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40 | // |
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41 | // Modifications: |
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42 | // 27.02.06 V.Ivanchenko Return m=0 if Z&N combination is out of NIST |
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43 | // 27.02.06 V.Ivanchneko add GetAtomicMassAmu |
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44 | // 17.10.06 V.Ivanchneko add GetAtomicMass and GetNistElementNames methods |
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45 | // 02.05.07 V.Ivanchneko add GetNistFirstIsotopeN and GetNumberOfNistIsotopes |
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46 | // |
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47 | //---------------------------------------------------------------------------- |
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48 | // |
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49 | // Class Description: |
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50 | // |
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51 | // Element data from the NIST DB on Atomic Weights and Isotope Compositions |
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52 | // http://physics.nist.gov/PhysRefData/Compositions/index.html |
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53 | // |
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54 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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55 | |
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56 | #include "globals.hh" |
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57 | #include "G4AtomicShells.hh" |
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58 | #include <vector> |
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59 | |
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60 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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61 | |
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62 | const G4int maxNumElements = 108; |
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63 | const G4int maxAbundance = 3500; |
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64 | |
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65 | class G4Element; |
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66 | |
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67 | class G4NistElementBuilder |
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68 | { |
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69 | public: |
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70 | G4NistElementBuilder(G4int vb); |
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71 | ~G4NistElementBuilder(); |
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72 | |
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73 | G4int GetZ (const G4String& symb); |
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74 | G4double GetA (G4int Z); |
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75 | G4double GetIsotopeMass (G4int Z, G4int N); |
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76 | G4double GetAtomicMass (G4int Z, G4int N); |
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77 | |
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78 | G4double GetIsotopeAbundance (G4int Z, G4int N); |
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79 | |
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80 | G4int GetNistFirstIsotopeN(G4int Z); |
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81 | G4int GetNumberOfNistIsotopes(G4int Z); |
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82 | |
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83 | G4int GetMaxNumElements(); |
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84 | |
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85 | void SetVerbose (G4int); |
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86 | void PrintElement (G4int Z); |
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87 | |
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88 | // Find or build a G4Element by atomic number |
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89 | G4Element* FindOrBuildElement (G4int Z, G4bool buildIsotopes = true); |
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90 | |
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91 | // Find or build a G4Element by symbol |
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92 | G4Element* FindOrBuildElement (const G4String& symb, |
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93 | G4bool buildIsotopes = true); |
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94 | |
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95 | // Return reference to vector of element names |
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96 | const std::vector<G4String>& GetElementNames() const; |
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97 | |
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98 | private: |
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99 | |
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100 | void Initialise(); |
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101 | |
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102 | void AddElement(const G4String& symbol, G4int Z, G4int nc, const G4int& N, |
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103 | const G4double& A, const G4double& sA, const G4double& W); |
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104 | |
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105 | // Build a G4Element from dataBase |
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106 | G4Element* BuildElement(G4int Z, G4bool buildIsotopes); |
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107 | |
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108 | private: |
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109 | |
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110 | G4String elmSymbol [maxNumElements]; |
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111 | G4double atomicMass [maxNumElements]; |
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112 | G4int nIsotopes [maxNumElements]; |
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113 | G4int nFirstIsotope [maxNumElements]; |
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114 | G4int idxIsotopes [maxNumElements]; |
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115 | |
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116 | G4int elmIndex [maxNumElements]; |
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117 | |
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118 | G4double massIsotopes [maxAbundance]; |
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119 | G4double sigMass [maxAbundance]; |
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120 | G4double relAbundance [maxAbundance]; |
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121 | |
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122 | G4int limitNumElements; // protection |
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123 | G4int index; |
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124 | G4int verbose; |
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125 | G4bool first; |
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126 | |
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127 | std::vector<G4String> elmNames; |
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128 | G4AtomicShells aShell; |
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129 | }; |
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130 | |
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131 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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132 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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133 | |
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134 | inline G4int G4NistElementBuilder::GetZ(const G4String& name) |
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135 | { |
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136 | G4int Z = maxNumElements; |
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137 | do {Z--;} while( Z>0 && elmSymbol[Z] != name); |
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138 | return Z; |
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139 | } |
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140 | |
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141 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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142 | |
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143 | inline G4double G4NistElementBuilder::GetA(G4int Z) |
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144 | { |
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145 | G4double a = 0.0; |
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146 | if(Z>0 && Z<maxNumElements) a = atomicMass[Z]; |
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147 | return a; |
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148 | } |
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149 | |
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150 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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151 | |
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152 | inline G4double G4NistElementBuilder::GetIsotopeMass(G4int Z, G4int N) |
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153 | { |
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154 | G4double m = 0.0; |
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155 | G4int i = N - nFirstIsotope[Z]; |
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156 | if(i >= 0 && i <nIsotopes[Z]) |
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157 | m = massIsotopes[i + idxIsotopes[Z]]*amu_c2 |
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158 | - Z*electron_mass_c2 + aShell.GetTotalBindingEnergy(Z); |
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159 | return m; |
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160 | } |
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161 | |
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162 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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163 | |
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164 | inline G4double G4NistElementBuilder::GetAtomicMass(G4int Z, G4int N) |
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165 | { |
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166 | G4double m = 0.0; |
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167 | G4int i = N - nFirstIsotope[Z]; |
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168 | if(i >= 0 && i <nIsotopes[Z]) |
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169 | m = massIsotopes[i + idxIsotopes[Z]]*amu_c2; |
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170 | return m; |
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171 | } |
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172 | |
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173 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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174 | |
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175 | inline G4double G4NistElementBuilder::GetIsotopeAbundance(G4int Z, G4int N) |
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176 | { |
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177 | G4double x = 0.0; |
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178 | G4int i = N - nFirstIsotope[Z]; |
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179 | if(i >= 0 && i <nIsotopes[Z]) x = relAbundance[i + idxIsotopes[Z]]; |
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180 | return x; |
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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 | inline G4int G4NistElementBuilder::GetNistFirstIsotopeN(G4int Z) |
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186 | { |
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187 | return nFirstIsotope[Z]; |
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188 | } |
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189 | |
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190 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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191 | |
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192 | inline G4int G4NistElementBuilder::GetNumberOfNistIsotopes(G4int Z) |
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193 | { |
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194 | return nIsotopes[Z]; |
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195 | } |
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196 | |
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197 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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198 | |
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199 | inline |
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200 | const std::vector<G4String>& G4NistElementBuilder::GetElementNames() const |
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201 | { |
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202 | return elmNames; |
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203 | } |
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204 | |
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205 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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206 | |
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207 | inline G4int G4NistElementBuilder::GetMaxNumElements() |
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208 | { |
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209 | return maxNumElements-1; |
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210 | } |
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211 | |
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212 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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213 | |
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214 | inline void G4NistElementBuilder::SetVerbose(G4int val) |
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215 | { |
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216 | verbose = val; |
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217 | } |
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218 | |
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219 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... |
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220 | |
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221 | |
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222 | #endif |
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