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25
26 // -------------------------------------------------------------------
27 //
28 // GEANT4 Class header file
29 //
30 // File name: G4NistManager
31 //
32 // Author: Vladimir Ivanchenko
33 //
34 // Creation date: 23.12.2004
35 //
36 // Modifications:
37 // 27.02.06 V.Ivanchneko add GetAtomicMassAmu and ConstructNewGasMaterial
38 // 11.05.06 V.Ivanchneko add warning flag to FindMaterial method
39 // 17.10.06 V.Ivanchneko add methods: GetAtomicMass, GetNistElementNames,
40 // GetNistMaterialNames
41 // 02.05.07 V.Ivanchneko add GetNistFirstIsotopeN and GetNumberOfNistIsotopes
42 // 28.07.07 V.Ivanchneko make simple methods inline
43 // 28.10.07 V.Ivanchneko add state, T, P to maetrial build
44 // 29.04.10 V.Ivanchneko add GetMeanIonisationEnergy method
45 // 01.11.10 V.Ivanchneko add G4Pow for fast computations
46 // 09.02.12 P.Gumplinger add ConstructNewIdealGasMaterial
47 //
48 // Class Description:
49 //
50 // A utility static class
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 // -------------------------------------------------------------------
56
57 #ifndef G4NistManager_h
58 #define G4NistManager_h 1
59
60 #include "G4ICRU90StoppingData.hh"
61 #include "G4Material.hh"
62 #include "G4Element.hh"
63 #include "G4Isotope.hh"
64 #include "G4NistElementBuilder.hh"
65 #include "G4NistMaterialBuilder.hh"
66 #include "G4Pow.hh"
67 #include "globals.hh"
68
69 #include <CLHEP/Units/PhysicalConstants.h>
70
71 #include <vector>
72
73 class G4NistMessenger;
74
75 class G4NistManager
76 {
77 public:
78 static G4NistManager* Instance();
79 ~G4NistManager();
80
81 // Get G4Element by index
82 //
83 inline G4Element* GetElement(std::size_t index) const;
84
85 // Find or build G4Element by atomic number
86 //
87 inline G4Element* FindElement(G4int Z) const;
88 inline G4Element* FindOrBuildElement(G4int Z, G4bool isotopes = true);
89
90 // Find or build G4Element by symbol
91 //
92 inline G4Element* FindOrBuildElement(const G4String& symb, G4bool isotopes = true);
93
94 // Get number of elements
95 //
96 inline std::size_t GetNumberOfElements() const;
97
98 // Get atomic number by element symbol
99 //
100 inline G4int GetZ(const G4String& symb) const;
101
102 // Get atomic weight by element symbol - mean mass in units of amu of
103 // an atom with electron shell for the natural isotope composition
104 //
105 inline G4double GetAtomicMassAmu(const G4String& symb) const;
106
107 // Get atomic weight in atomic units - mean mass in units of amu of an atom
108 // with electron shell for the natural isotope composition
109 //
110 inline G4double GetAtomicMassAmu(G4int Z) const;
111
112 // Get mass of isotope without electron shell in Geant4 energy units
113 //
114 inline G4double GetIsotopeMass(G4int Z, G4int N) const;
115
116 // Get mass in Geant4 energy units of an atom of a particular isotope
117 // with the electron shell
118 //
119 inline G4double GetAtomicMass(G4int Z, G4int N) const;
120
121 // Get total ionisation energy of an atom
122 //
123 inline G4double GetTotalElectronBindingEnergy(G4int Z) const;
124
125 // Get N for the first natural isotope
126 //
127 inline G4int GetNistFirstIsotopeN(G4int Z) const;
128
129 // Get number of natural isotopes
130 //
131 inline G4int GetNumberOfNistIsotopes(G4int Z) const;
132
133 // Get natural isotope abundance
134 //
135 inline G4double GetIsotopeAbundance(G4int Z, G4int N) const;
136
137 // Print element by Z
138 //
139 inline void PrintElement(G4int Z) const;
140
141 // Print element from internal DB by symbol, if "all" - print all elements
142 //
143 void PrintElement(const G4String&) const;
144
145 // Print G4Element by name, if "all" - print all G4Elements
146 //
147 void PrintG4Element(const G4String&) const;
148
149 // Access to the vector of Geant4 predefined element names
150 //
151 inline const std::vector<G4String>& GetNistElementNames() const;
152
153 // Access mean ionisation energy for atoms (Z <= 98) by its index
154 //
155 inline G4double GetMeanIonisationEnergy(G4int Z) const;
156
157 // Access nominal density by atomic number for simple materials and
158 // by the index for other NIST materials
159 //
160 inline G4double GetNominalDensity(G4int Z) const;
161
162 // Get G4Material by index
163 //
164 inline G4Material* GetMaterial(std::size_t index) const;
165
166 // Find or build a G4Material by name, from the Geant4 dataBase
167 //
168 inline G4Material* FindMaterial(const G4String& name) const;
169 inline G4Material* FindOrBuildMaterial(
170 const G4String& name, G4bool isotopes = true, G4bool warning = false);
171
172 // Find or build a simple material via atomic number
173 //
174 inline G4Material* FindSimpleMaterial(G4int Z) const;
175 inline G4Material* FindOrBuildSimpleMaterial(G4int Z, G4bool warning = false);
176
177 // Build G4Material with user defined name and density on base
178 // of a material from Geant4 dataBase
179 //
180 G4Material* BuildMaterialWithNewDensity(const G4String& name, const G4String& basename,
181 G4double density = 0.0, G4double temp = NTP_Temperature, G4double pres = CLHEP::STP_Pressure);
182
183 // Construct a G4Material from scratch by atome count
184 // temperature and pressure should be consistent with the density
185 //
186 inline G4Material* ConstructNewMaterial(const G4String& name, const std::vector<G4String>& elm,
187 const std::vector<G4int>& nbAtoms, G4double dens, G4bool isotopes = true,
188 G4State state = kStateSolid, G4double temp = NTP_Temperature,
189 G4double pressure = CLHEP::STP_Pressure);
190
191 // Construct a G4Material from scratch by fraction mass
192 // temperature and pressure should be consistent with the density
193 //
194 inline G4Material* ConstructNewMaterial(const G4String& name, const std::vector<G4String>& elm,
195 const std::vector<G4double>& weight, G4double dens, G4bool isotopes = true,
196 G4State state = kStateSolid, G4double temp = NTP_Temperature,
197 G4double pressure = CLHEP::STP_Pressure);
198
199 // Construct a gas G4Material from scratch by atome count
200 //
201 inline G4Material* ConstructNewGasMaterial(const G4String& name, const G4String& nameNist,
202 G4double temp, G4double pres, G4bool isotopes = true);
203
204 // Construct an ideal gas G4Material from scratch by atom count
205 //
206 inline G4Material* ConstructNewIdealGasMaterial(const G4String& name,
207 const std::vector<G4String>& elm, const std::vector<G4int>& nbAtoms, G4bool isotopes = true,
208 G4double temp = NTP_Temperature, G4double pressure = CLHEP::STP_Pressure);
209
210 // enable/disable density effect calculator by material name
211 //
212 void SetDensityEffectCalculatorFlag(const G4String&, G4bool);
213
214 // enable/disable density effect calculator by material pointer
215 //
216 void SetDensityEffectCalculatorFlag(G4Material*, G4bool);
217
218 // Get number of G4Materials
219 //
220 inline std::size_t GetNumberOfMaterials() const;
221
222 inline G4int GetVerbose() const;
223
224 void SetVerbose(G4int);
225
226 // Print G4Material by name
227 //
228 void PrintG4Material(const G4String&) const;
229
230 // Print predefined Geant4 materials:
231 // "simple" - only pure materials in basic state (Z = 1, ..., 98)
232 // "compound" - NIST compounds
233 // "hep" - HEP materials and compounds
234 // "bio" - bio-medical materials and compounds
235 // "all" - all
236 //
237 inline void ListMaterials(const G4String&) const;
238
239 // Access to the list of names of Geant4 predefined materials
240 //
241 inline const std::vector<G4String>& GetNistMaterialNames() const;
242
243 // Fast computation of Z^1/3
244 //
245 inline G4double GetZ13(G4double Z) const;
246 inline G4double GetZ13(G4int Z) const;
247
248 // Fast computation of A^0.27 for natuaral abundances
249 //
250 inline G4double GetA27(G4int Z) const;
251
252 // Fast computation of log(A)
253 //
254 inline G4double GetLOGZ(G4int Z) const;
255 inline G4double GetLOGAMU(G4int Z) const;
256
257 G4ICRU90StoppingData* GetICRU90StoppingData();
258
259 private:
260 G4NistManager();
261
262 std::vector<G4Element*> elements;
263 std::vector<G4Material*> materials;
264
265 G4ICRU90StoppingData* fICRU90;
266 G4NistElementBuilder* elmBuilder;
267 G4NistMaterialBuilder* matBuilder;
268 G4NistMessenger* messenger;
269 G4Pow* g4pow;
270 const G4MaterialTable* theMaterialTable;
271 const G4ElementTable* theElementTable;
272 const G4IsotopeTable* theIsotopeTable;
273
274 G4double POWERA27[101];
275 G4double LOGAZ[101];
276
277 std::size_t nElements;
278 std::size_t nMaterials;
279 G4int verbose;
280 };
281
282 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
283
284 inline std::size_t G4NistManager::GetNumberOfMaterials() const { return nMaterials; }
285
286 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
287
288 inline G4Element* G4NistManager::GetElement(std::size_t index) const
289 {
290 return (index < theElementTable->size()) ? (*theElementTable)[index] : nullptr;
291 }
292
293 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
294
295 inline G4Element* G4NistManager::FindElement(G4int Z) const { return elmBuilder->FindElement(Z); }
296
297 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
298
299 inline G4Element* G4NistManager::FindOrBuildElement(G4int Z, G4bool isotopes)
300 {
301 return elmBuilder->FindOrBuildElement(Z, isotopes);
302 }
303
304 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
305
306 inline G4Element* G4NistManager::FindOrBuildElement(const G4String& symb, G4bool isotopes)
307 {
308 return elmBuilder->FindOrBuildElement(symb, isotopes);
309 }
310
311 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
312
313 inline std::size_t G4NistManager::GetNumberOfElements() const { return nElements; }
314
315 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
316
317 inline G4int G4NistManager::GetZ(const G4String& symb) const { return elmBuilder->GetZ(symb); }
318
319 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
320
321 inline G4double G4NistManager::GetAtomicMassAmu(const G4String& symb) const
322 {
323 return elmBuilder->GetAtomicMassAmu(symb);
324 }
325
326 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
327
328 inline G4double G4NistManager::GetAtomicMassAmu(G4int Z) const
329 {
330 return elmBuilder->GetAtomicMassAmu(Z);
331 }
332
333 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
334
335 inline G4double G4NistManager::GetIsotopeMass(G4int Z, G4int N) const
336 {
337 return elmBuilder->GetIsotopeMass(Z, N);
338 }
339
340 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
341
342 inline G4double G4NistManager::GetAtomicMass(G4int Z, G4int N) const
343 {
344 return elmBuilder->GetAtomicMass(Z, N);
345 }
346
347 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
348
349 inline G4double G4NistManager::GetTotalElectronBindingEnergy(G4int Z) const
350 {
351 return elmBuilder->GetTotalElectronBindingEnergy(Z);
352 }
353
354 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
355
356 inline G4double G4NistManager::GetIsotopeAbundance(G4int Z, G4int N) const
357 {
358 return elmBuilder->GetIsotopeAbundance(Z, N);
359 }
360
361 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
362
363 inline G4int G4NistManager::GetNistFirstIsotopeN(G4int Z) const
364 {
365 return elmBuilder->GetNistFirstIsotopeN(Z);
366 }
367
368 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
369
370 inline G4int G4NistManager::GetNumberOfNistIsotopes(G4int Z) const
371 {
372 return elmBuilder->GetNumberOfNistIsotopes(Z);
373 }
374
375 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
376
377 inline const std::vector<G4String>& G4NistManager::GetNistElementNames() const
378 {
379 return elmBuilder->GetElementNames();
380 }
381
382 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
383
384 inline G4double G4NistManager::GetMeanIonisationEnergy(G4int Z) const
385 {
386 return matBuilder->GetMeanIonisationEnergy(Z);
387 }
388
389 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
390
391 inline G4double G4NistManager::GetNominalDensity(G4int Z) const
392 {
393 return matBuilder->GetNominalDensity(Z);
394 }
395
396 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
397
398 inline void G4NistManager::PrintElement(G4int Z) const { elmBuilder->PrintElement(Z); }
399
400 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
401
402 inline G4Material* G4NistManager::GetMaterial(std::size_t index) const
403 {
404 return (index < theMaterialTable->size()) ? (*theMaterialTable)[index] : nullptr;
405 }
406
407 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
408
409 inline G4int G4NistManager::GetVerbose() const { return verbose; }
410
411 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
412
413 inline G4Material* G4NistManager::FindMaterial(const G4String& name) const
414 {
415 return matBuilder->FindMaterial(name);
416 }
417
418 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
419
420 inline G4Material* G4NistManager::FindOrBuildMaterial(const G4String& name, G4bool, G4bool warning)
421 {
422 return matBuilder->FindOrBuildMaterial(name, warning);
423 }
424
425 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
426
427 inline G4Material* G4NistManager::FindSimpleMaterial(G4int Z) const
428 {
429 return matBuilder->FindSimpleMaterial(Z);
430 }
431
432 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
433
434 inline G4Material* G4NistManager::FindOrBuildSimpleMaterial(G4int Z, G4bool warning)
435 {
436 return matBuilder->FindOrBuildSimpleMaterial(Z, warning);
437 }
438
439 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
440
441 inline G4Material* G4NistManager::ConstructNewMaterial(const G4String& name,
442 const std::vector<G4String>& elm, const std::vector<G4int>& nbAtoms, G4double dens, G4bool,
443 G4State state, G4double T, G4double P)
444
445 {
446 return matBuilder->ConstructNewMaterial(name, elm, nbAtoms, dens, state, T, P);
447 }
448
449 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
450
451 inline G4Material* G4NistManager::ConstructNewMaterial(const G4String& name,
452 const std::vector<G4String>& elm, const std::vector<G4double>& w, G4double dens, G4bool,
453 G4State state, G4double T, G4double P)
454 {
455 return matBuilder->ConstructNewMaterial(name, elm, w, dens, state, T, P);
456 }
457
458 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
459
460 inline G4Material* G4NistManager::ConstructNewGasMaterial(
461 const G4String& name, const G4String& nameNist, G4double temp, G4double pres, G4bool)
462 {
463 return matBuilder->ConstructNewGasMaterial(name, nameNist, temp, pres);
464 }
465
466 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
467
468 inline G4Material* G4NistManager::ConstructNewIdealGasMaterial(const G4String& name,
469 const std::vector<G4String>& elm, const std::vector<G4int>& nbAtoms, G4bool, G4double T,
470 G4double P)
471 {
472 return matBuilder->ConstructNewIdealGasMaterial(name, elm, nbAtoms, T, P);
473 }
474
475 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
476
477 inline void G4NistManager::ListMaterials(const G4String& list) const
478 {
479 matBuilder->ListMaterials(list);
480 }
481
482 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
483
484 inline const std::vector<G4String>& G4NistManager::GetNistMaterialNames() const
485 {
486 return matBuilder->GetMaterialNames();
487 }
488
489 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
490
491 inline G4double G4NistManager::GetZ13(G4double A) const { return g4pow->A13(A); }
492
493 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
494
495 inline G4double G4NistManager::GetZ13(G4int Z) const { return g4pow->Z13(Z); }
496
497 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
498
499 inline G4double G4NistManager::GetA27(G4int Z) const
500 {
501 return (0 <= Z && Z < 101) ? POWERA27[Z] : g4pow->powZ(Z, 0.27);
502 }
503
504 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
505
506 inline G4double G4NistManager::GetLOGZ(G4int Z) const { return g4pow->logZ(Z); }
507
508 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
509
510 inline G4double G4NistManager::GetLOGAMU(G4int Z) const
511 {
512 return (0 <= Z && Z < 101) ? LOGAZ[Z] : 0.0;
513 }
514
515 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
516
517 #endif
518