source: trunk/source/materials/include/G4NistElementBuilder.hh@ 1025

Last change on this file since 1025 was 986, 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//
[850]26// $Id: G4NistElementBuilder.hh,v 1.18 2008/08/07 10:15:16 vnivanch Exp $
[986]27// GEANT4 tag $Name: geant4-09-02-ref-02 $
[822]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
[850]43// 27.02.06 V.Ivanchenko add GetAtomicMassAmu
44// 17.10.06 V.Ivanchenko add GetAtomicMass and GetNistElementNames methods
45// 02.05.07 V.Ivanchenko add GetNistFirstIsotopeN and GetNumberOfNistIsotopes
46// 06.08.08 V.Ivanchenko add binding energy parameterisation and use isotope
47// mass in G4 units
[822]48//
49//----------------------------------------------------------------------------
50//
51// Class Description:
52//
53// Element data from the NIST DB on Atomic Weights and Isotope Compositions
54// http://physics.nist.gov/PhysRefData/Compositions/index.html
55//
56//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
57
58#include "globals.hh"
59#include <vector>
60
61//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
62
63const G4int maxNumElements = 108;
64const G4int maxAbundance = 3500;
65
66class G4Element;
67
68class G4NistElementBuilder
69{
70public:
[850]71
[822]72 G4NistElementBuilder(G4int vb);
73 ~G4NistElementBuilder();
74
[850]75 // Get atomic number by element symbol
76 G4int GetZ(const G4String& symb);
[822]77
78 // Find or build a G4Element by atomic number
79 G4Element* FindOrBuildElement (G4int Z, G4bool buildIsotopes = true);
80
81 // Find or build a G4Element by symbol
82 G4Element* FindOrBuildElement (const G4String& symb,
83 G4bool buildIsotopes = true);
[850]84 // print element information
85 void PrintElement (G4int Z);
[822]86
[850]87 // Access to the vector of Geant4 predefined element names
[822]88 const std::vector<G4String>& GetElementNames() const;
89
[850]90 // Get the mass of the element in amu for the natuaral isotope composition
91 // with electron shell
92 inline G4double GetA (G4int Z);
93
94 // Get the mass of the isotope in G4 units (without electron shell)
95 inline G4double GetIsotopeMass (G4int Z, G4int N);
96
97 // Get the atomic mass of the isotope in G4 units (with electron shell)
98 inline G4double GetAtomicMass (G4int Z, G4int N);
99
100 // Get total ionisation energy of an atom
101 inline G4double GetTotalElectronBindingEnergy(G4int Z) const;
102
103 // Get natural isotope abandance
104 inline G4double GetIsotopeAbundance (G4int Z, G4int N);
105
106 // Get N for the first natural isotope
107 inline G4int GetNistFirstIsotopeN(G4int Z);
108
109 // Get number of natural isotopes
110 inline G4int GetNumberOfNistIsotopes(G4int Z);
111
112 inline G4int GetMaxNumElements();
113
114 inline void SetVerbose (G4int);
115
[822]116private:
117
118 void Initialise();
119
[850]120 // Add element parameters to internal G4 database:
121 // Z - atomic number, N - number of nucleons, A - atomic mass (amu),
122 // sigmaA - accuracy of mass in last digits, W - natural abandances (percent)
123 void AddElement(const G4String& symbol, G4int Z, G4int NumberOfIsotopes,
124 const G4int& N, const G4double& A, const G4double& sigmaA,
125 const G4double& W);
[822]126
[850]127 // Build a G4Element from the G4 dataBase
[822]128 G4Element* BuildElement(G4int Z, G4bool buildIsotopes);
129
130private:
131
132 G4String elmSymbol [maxNumElements];
[850]133 G4double atomicMass [maxNumElements]; // amu
134 G4double bindingEnergy [maxNumElements];
[822]135 G4int nIsotopes [maxNumElements];
136 G4int nFirstIsotope [maxNumElements];
137 G4int idxIsotopes [maxNumElements];
138
139 G4int elmIndex [maxNumElements];
140
[850]141 G4double massIsotopes [maxAbundance]; // G4 units
142 G4double sigMass [maxAbundance]; // G4 units
[822]143 G4double relAbundance [maxAbundance];
144
145 G4int limitNumElements; // protection
146 G4int index;
147 G4int verbose;
148 G4bool first;
149
150 std::vector<G4String> elmNames;
151};
152
153//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
154//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
155
156inline G4double G4NistElementBuilder::GetA(G4int Z)
157{
158 G4double a = 0.0;
159 if(Z>0 && Z<maxNumElements) a = atomicMass[Z];
160 return a;
161}
162
163//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
164
165inline G4double G4NistElementBuilder::GetIsotopeMass(G4int Z, G4int N)
166{
167 G4double m = 0.0;
168 G4int i = N - nFirstIsotope[Z];
[850]169 if(i >= 0 && i <nIsotopes[Z]) {m = massIsotopes[i + idxIsotopes[Z]];}
[822]170 return m;
171}
172
173//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
174
175inline G4double G4NistElementBuilder::GetAtomicMass(G4int Z, G4int N)
176{
177 G4double m = 0.0;
178 G4int i = N - nFirstIsotope[Z];
[850]179 if(i >= 0 && i <nIsotopes[Z]) {
180 m = massIsotopes[i + idxIsotopes[Z]] + Z*electron_mass_c2 - bindingEnergy[Z];
181 }
[822]182 return m;
183}
184
185//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
186
[850]187inline
188G4double G4NistElementBuilder::GetTotalElectronBindingEnergy(G4int Z) const
189{
190 return bindingEnergy[Z];
191}
192
193
194//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
195
[822]196inline G4double G4NistElementBuilder::GetIsotopeAbundance(G4int Z, G4int N)
197{
198 G4double x = 0.0;
199 G4int i = N - nFirstIsotope[Z];
[850]200 if(i >= 0 && i <nIsotopes[Z]) {x = relAbundance[i + idxIsotopes[Z]];}
[822]201 return x;
202}
203
204//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
205
206inline G4int G4NistElementBuilder::GetNistFirstIsotopeN(G4int Z)
207{
208 return nFirstIsotope[Z];
209}
210
211//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
212
213inline G4int G4NistElementBuilder::GetNumberOfNistIsotopes(G4int Z)
214{
215 return nIsotopes[Z];
216}
217
218//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
219
220inline
221const std::vector<G4String>& G4NistElementBuilder::GetElementNames() const
222{
223 return elmNames;
224}
225
226//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
227
228inline G4int G4NistElementBuilder::GetMaxNumElements()
229{
230 return maxNumElements-1;
231}
232
233//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
234
235inline void G4NistElementBuilder::SetVerbose(G4int val)
236{
237 verbose = val;
238}
239
240//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
241
242
243#endif
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