[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 | // $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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