source: trunk/source/materials/include/G4NistElementBuilder.hh@ 827

Last change on this file since 827 was 822, checked in by garnier, 17 years ago

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[822]1//
2// ********************************************************************
3// * License and Disclaimer *
4// * *
5// * The Geant4 software is copyright of the Copyright Holders of *
6// * the Geant4 Collaboration. It is provided under the terms and *
7// * conditions of the Geant4 Software License, included in the file *
8// * LICENSE and available at http://cern.ch/geant4/license . These *
9// * include a list of copyright holders. *
10// * *
11// * Neither the authors of this software system, nor their employing *
12// * institutes,nor the agencies providing financial support for this *
13// * work make any representation or warranty, express or implied, *
14// * regarding this software system or assume any liability for its *
15// * use. Please see the license in the file LICENSE and URL above *
16// * for the full disclaimer and the limitation of liability. *
17// * *
18// * This code implementation is the result of the scientific and *
19// * technical work of the GEANT4 collaboration. *
20// * By using, copying, modifying or distributing the software (or *
21// * any work based on the software) you agree to acknowledge its *
22// * use in resulting scientific publications, and indicate your *
23// * acceptance of all terms of the Geant4 Software license. *
24// ********************************************************************
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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