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G4NistElementBuilder.hh
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26 // $Id: G4NistElementBuilder.hh 96794 2016-05-09 10:09:30Z gcosmo $
27 
28 #ifndef G4NistElementBuilder_h
29 #define G4NistElementBuilder_h 1
30 
31 //---------------------------------------------------------------------------
32 //
33 // ClassName: G4NistElementBuilder
34 //
35 // Description: Utility class to hold and manipulate G4Elements defined from
36 // Nist data base
37 //
38 // Author: V.Ivanchenko 21.11.2004
39 //
40 // Modifications:
41 // 27.02.06 V.Ivanchenko Return m=0 if Z&N combination is out of NIST
42 // 27.02.06 V.Ivanchenko add GetAtomicMassAmu
43 // 17.10.06 V.Ivanchenko add GetAtomicMass and GetNistElementNames methods
44 // 02.05.07 V.Ivanchenko add GetNistFirstIsotopeN and GetNumberOfNistIsotopes
45 // 06.08.08 V.Ivanchenko add binding energy parameterisation and use isotope
46 // mass in G4 units
47 //
48 //----------------------------------------------------------------------------
49 //
50 // Class Description:
51 //
52 // Element data from the NIST DB on Atomic Weights and Isotope Compositions
53 // http://physics.nist.gov/PhysRefData/Compositions/index.html
54 //
55 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
56 
57 #include <vector>
59 
60 #include "globals.hh"
61 #include "G4Element.hh"
62 
63 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
64 
65 const G4int maxNumElements = 108;
66 const G4int maxAbundance = 3500;
67 
69 {
70 public:
71 
72  explicit G4NistElementBuilder(G4int vb);
74 
75  // Find or build a G4Element by atomic number
76  inline G4Element* FindElement (G4int Z) const;
77  G4Element* FindOrBuildElement (G4int Z, G4bool buildIsotopes = true);
78 
79  // Find or build a G4Element by symbol
80  G4Element* FindOrBuildElement (const G4String& symb,
81  G4bool buildIsotopes = true);
82  // print element information
83  void PrintElement (G4int Z) const;
84 
85  // Access to the vector of Geant4 predefined element names
86  const std::vector<G4String>& GetElementNames() const;
87 
88  // Get atomic number by element symbol
89  G4int GetZ(const G4String& symb) const;
90 
91  // Get atomic weight in atomic units by element symbol
92  G4double GetAtomicMassAmu(const G4String& symb) const;
93 
94  // Get atomic weight in atomic units - mean mass in units of amu of an atom
95  // with electron shell for the natural isotope composition
96  inline G4double GetAtomicMassAmu(G4int Z) const;
97 
98  // Get mass of isotope without electron shell in Geant4 energy units
99  inline G4double GetIsotopeMass(G4int Z, G4int N) const;
100 
101  // Get mass in Geant4 energy units of an atom of a particular isotope
102  // with the electron shell
103  inline G4double GetAtomicMass(G4int Z, G4int N) const;
104 
105  // Get total ionisation energy of an atom
107 
108  // Get natural isotope abundance
109  inline G4double GetIsotopeAbundance (G4int Z, G4int N) const;
110 
111  // Get N for the first natural isotope
112  inline G4int GetNistFirstIsotopeN(G4int Z) const;
113 
114  // Get number of natural isotopes
115  inline G4int GetNumberOfNistIsotopes(G4int Z) const;
116 
117  // Get max Z in the Geant4 element database
118  inline G4int GetMaxNumElements() const;
119 
120  inline void SetVerbose(G4int);
121 
122 private:
123 
124  void Initialise();
125 
126  // Add element parameters to internal G4 database:
127  // Z - atomic number, N - number of nucleons, A - atomic mass (amu),
128  // sigmaA - accuracy of mass in last digits, W - natural abundances (percent)
129  void AddElement(const G4String& symbol, G4int Z, G4int NumberOfIsotopes,
130  const G4int& N, const G4double& A, const G4double& sigmaA,
131  const G4double& W);
132 
133  // Build a G4Element from the G4 dataBase
134  G4Element* BuildElement(G4int Z);
135 
136 private:
137 
138  G4String elmSymbol [maxNumElements];
139  G4double atomicMass [maxNumElements]; // amu
140  G4double bindingEnergy [maxNumElements];
141  G4int nIsotopes [maxNumElements];
142  G4int nFirstIsotope [maxNumElements];
143  G4int idxIsotopes [maxNumElements];
144 
145  G4int elmIndex [maxNumElements];
146 
147  G4double massIsotopes [maxAbundance]; // G4 units
148  G4double sigMass [maxAbundance]; // G4 units
149  G4double relAbundance [maxAbundance];
150 
151  G4int index;
152  G4int verbose;
153 
154  std::vector<G4String> elmNames;
155 };
156 
157 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
158 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
159 
161 {
162  return (Z>0 && Z<maxNumElements) ? atomicMass[Z] : 0.0;
163 }
164 
165 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
166 
168 {
169  G4double mass = 0.0;
170  if(Z > 0 && Z < maxNumElements) {
171  G4int i = N - nFirstIsotope[Z];
172  if(i >= 0 && i <nIsotopes[Z]) {mass = massIsotopes[i + idxIsotopes[Z]];}
173  }
174  return mass;
175 }
176 
177 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
178 
180 {
181  G4double mass = 0.0;
182  if(Z > 0 && Z < maxNumElements) {
183  G4int i = N - nFirstIsotope[Z];
184  if(i >= 0 && i <nIsotopes[Z]) {
185  mass = massIsotopes[i + idxIsotopes[Z]] +
186  Z*CLHEP::electron_mass_c2 - bindingEnergy[Z];
187  }
188  }
189  return mass;
190 }
191 
192 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
193 
194 inline
196 {
197  return (Z > 0 && Z < maxNumElements) ? bindingEnergy[Z] : 0.0;
198 }
199 
200 
201 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
202 
203 inline
205 {
206  G4double x = 0.0;
207  if(Z > 0 && Z < maxNumElements) {
208  G4int i = N - nFirstIsotope[Z];
209  if(i >= 0 && i <nIsotopes[Z]) { x = relAbundance[i + idxIsotopes[Z]]; }
210  }
211  return x;
212 }
213 
214 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
215 
217 {
218  return (Z > 0 && Z < maxNumElements) ? nFirstIsotope[Z] : 0;
219 }
220 
221 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
222 
224 {
225  return (Z > 0 && Z < maxNumElements) ? nIsotopes[Z] : 0;
226 }
227 
228 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
229 
230 inline
231 const std::vector<G4String>& G4NistElementBuilder::GetElementNames() const
232 {
233  return elmNames;
234 }
235 
236 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
237 
239 {
240  return maxNumElements-1;
241 }
242 
243 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
244 
246 {
247  verbose = val;
248 }
249 
250 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
251 
253 {
254  const G4ElementTable* theElementTable = G4Element::GetElementTable();
255  return (Z > 0 && Z < maxNumElements && elmIndex[Z] >= 0) ?
256  (*theElementTable)[elmIndex[Z]] : nullptr;
257 }
258 
259 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
260 
261 
262 #endif
G4int GetMaxNumElements() const
const G4int maxAbundance
G4double GetTotalElectronBindingEnergy(G4int Z) const
G4double GetIsotopeAbundance(G4int Z, G4int N) const
G4int GetNumberOfNistIsotopes(G4int Z) const
tuple x
Definition: test.py:50
G4double GetAtomicMassAmu(const G4String &symb) const
int G4int
Definition: G4Types.hh:78
const G4int maxNumElements
G4Element * FindElement(G4int Z) const
static constexpr double electron_mass_c2
double A(double temperature)
G4int GetZ(const G4String &symb) const
bool G4bool
Definition: G4Types.hh:79
G4int GetNistFirstIsotopeN(G4int Z) const
void PrintElement(G4int Z) const
G4double GetIsotopeMass(G4int Z, G4int N) const
const std::vector< G4String > & GetElementNames() const
G4Element * FindOrBuildElement(G4int Z, G4bool buildIsotopes=true)
**D E S C R I P T I O N
Definition: HEPEvtcom.cc:77
std::vector< G4Element * > G4ElementTable
double G4double
Definition: G4Types.hh:76
static G4ElementTable * GetElementTable()
Definition: G4Element.cc:398
G4double GetAtomicMass(G4int Z, G4int N) const