source: trunk/source/materials/include/G4NistElementBuilder.hh @ 835

Last change on this file since 835 was 822, checked in by garnier, 16 years ago

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25//
26// $Id: G4NistElementBuilder.hh,v 1.13 2007/07/26 18:52:12 vnivanch Exp $
27// GEANT4 tag $Name:  $
28
29#ifndef G4NistElementBuilder_h
30#define G4NistElementBuilder_h 1
31
32//---------------------------------------------------------------------------
33//
34// ClassName:   G4NistElementBuilder
35//
36// Description: Utility class to hold and manipulate G4Elements defined from
37//              Nist data base
38//
39// Author:      V.Ivanchenko 21.11.2004
40//
41// Modifications:
42// 27.02.06 V.Ivanchenko Return m=0 if Z&N combination is out of NIST 
43// 27.02.06 V.Ivanchneko add GetAtomicMassAmu
44// 17.10.06 V.Ivanchneko add GetAtomicMass and GetNistElementNames methods
45// 02.05.07 V.Ivanchneko add GetNistFirstIsotopeN and GetNumberOfNistIsotopes
46//
47//----------------------------------------------------------------------------
48//
49// Class Description:
50//
51// Element data from the NIST DB on Atomic Weights and Isotope Compositions
52// http://physics.nist.gov/PhysRefData/Compositions/index.html
53//
54//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
55
56#include "globals.hh"
57#include "G4AtomicShells.hh"
58#include <vector>
59
60//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
61
62const G4int maxNumElements = 108;
63const G4int maxAbundance   = 3500;
64
65class G4Element;
66
67class G4NistElementBuilder
68{
69public:
70  G4NistElementBuilder(G4int vb);
71  ~G4NistElementBuilder();
72
73  G4int    GetZ           (const G4String& symb);
74  G4double GetA           (G4int Z);
75  G4double GetIsotopeMass (G4int Z, G4int N);
76  G4double GetAtomicMass  (G4int Z, G4int N);
77
78  G4double GetIsotopeAbundance (G4int Z, G4int N);
79
80  G4int    GetNistFirstIsotopeN(G4int Z);
81  G4int    GetNumberOfNistIsotopes(G4int Z);
82
83  G4int    GetMaxNumElements(); 
84
85  void SetVerbose   (G4int);
86  void PrintElement (G4int Z);
87
88  // Find or build a G4Element by atomic number
89  G4Element* FindOrBuildElement (G4int Z, G4bool buildIsotopes = true);
90
91  // Find  or build a G4Element by symbol
92  G4Element* FindOrBuildElement (const G4String& symb,
93                                 G4bool buildIsotopes = true);
94
95  // Return reference to vector of element names
96  const std::vector<G4String>& GetElementNames() const;
97
98private:
99
100  void Initialise();
101
102  void AddElement(const G4String& symbol, G4int Z, G4int nc, const G4int& N,
103                  const G4double& A, const G4double& sA, const G4double& W);
104
105  // Build a G4Element from dataBase
106  G4Element* BuildElement(G4int Z, G4bool buildIsotopes);
107
108private:
109
110  G4String   elmSymbol     [maxNumElements];
111  G4double   atomicMass    [maxNumElements];
112  G4int      nIsotopes     [maxNumElements];
113  G4int      nFirstIsotope [maxNumElements];
114  G4int      idxIsotopes   [maxNumElements];
115
116  G4int      elmIndex      [maxNumElements];
117
118  G4double   massIsotopes  [maxAbundance];
119  G4double   sigMass       [maxAbundance];
120  G4double   relAbundance  [maxAbundance];
121
122  G4int      limitNumElements;  // protection
123  G4int      index;
124  G4int      verbose;
125  G4bool     first;
126
127  std::vector<G4String>    elmNames;
128  G4AtomicShells           aShell;
129};
130
131//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
132//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
133
134inline G4int G4NistElementBuilder::GetZ(const G4String& name)
135{
136  G4int Z = maxNumElements;
137  do {Z--;} while( Z>0 && elmSymbol[Z] != name);
138  return Z;
139}
140
141//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
142
143inline G4double G4NistElementBuilder::GetA(G4int Z)
144{
145  G4double a = 0.0;
146  if(Z>0 && Z<maxNumElements) a = atomicMass[Z];
147  return a;
148}
149
150//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
151
152inline G4double G4NistElementBuilder::GetIsotopeMass(G4int Z, G4int N)
153{
154  G4double m = 0.0;
155  G4int i = N - nFirstIsotope[Z];
156  if(i >= 0 && i <nIsotopes[Z]) 
157    m = massIsotopes[i + idxIsotopes[Z]]*amu_c2
158      - Z*electron_mass_c2 + aShell.GetTotalBindingEnergy(Z); 
159  return m;
160}
161
162//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
163
164inline G4double G4NistElementBuilder::GetAtomicMass(G4int Z, G4int N)
165{
166  G4double m = 0.0;
167  G4int i = N - nFirstIsotope[Z];
168  if(i >= 0 && i <nIsotopes[Z]) 
169    m = massIsotopes[i + idxIsotopes[Z]]*amu_c2; 
170  return m;
171}
172
173//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
174
175inline G4double G4NistElementBuilder::GetIsotopeAbundance(G4int Z, G4int N)
176{
177  G4double x = 0.0;
178  G4int i = N - nFirstIsotope[Z];
179  if(i >= 0 && i <nIsotopes[Z]) x = relAbundance[i + idxIsotopes[Z]]; 
180  return x;
181}
182
183//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
184
185inline G4int G4NistElementBuilder::GetNistFirstIsotopeN(G4int Z) 
186{
187  return nFirstIsotope[Z];
188}
189
190//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
191
192inline G4int G4NistElementBuilder::GetNumberOfNistIsotopes(G4int Z) 
193{
194  return nIsotopes[Z];
195}
196
197//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
198
199inline 
200const std::vector<G4String>& G4NistElementBuilder::GetElementNames() const
201{
202  return elmNames;
203}
204
205//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
206
207inline G4int G4NistElementBuilder::GetMaxNumElements() 
208{
209  return maxNumElements-1;
210}
211
212//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
213
214inline void G4NistElementBuilder::SetVerbose(G4int val) 
215{
216  verbose = val;
217}
218
219//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
220
221
222#endif
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