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G4NistManager.hh
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25 //
26 //
27 // -------------------------------------------------------------------
28 //
29 // GEANT4 Class header file
30 //
31 // File name: G4NistManager
32 //
33 // Author: Vladimir Ivanchenko
34 //
35 // Creation date: 23.12.2004
36 //
37 // Modifications:
38 // 27.02.06 V.Ivanchneko add GetAtomicMassAmu and ConstructNewGasMaterial
39 // 11.05.06 V.Ivanchneko add warning flag to FindMaterial method
40 // 17.10.06 V.Ivanchneko add methods: GetAtomicMass, GetNistElementNames,
41 // GetNistMaterialNames
42 // 02.05.07 V.Ivanchneko add GetNistFirstIsotopeN and GetNumberOfNistIsotopes
43 // 28.07.07 V.Ivanchneko make simple methods inline
44 // 28.10.07 V.Ivanchneko add state, T, P to maetrial build
45 // 29.04.10 V.Ivanchneko add GetMeanIonisationEnergy method
46 // 01.11.10 V.Ivanchneko add G4Pow for fast computations
47 // 09.02.12 P.Gumplinger add ConstructNewIdealGasMaterial
48 //
49 // Class Description:
50 //
51 // A utility static class
52 //
53 
54 // -------------------------------------------------------------------
55 //
56 // Class Description:
57 //
58 // Element data from the NIST DB on Atomic Weights and Isotope Compositions
59 // http://physics.nist.gov/PhysRefData/Compositions/index.html
60 //
61 // -------------------------------------------------------------------
62 //
63 
64 #ifndef G4NistManager_h
65 #define G4NistManager_h 1
66 
67 #include <vector>
68 #include <CLHEP/Units/PhysicalConstants.h>
69 
70 #include "globals.hh"
71 #include "G4Material.hh"
72 #include "G4NistElementBuilder.hh"
73 #include "G4NistMaterialBuilder.hh"
74 #include "G4ICRU90StoppingData.hh"
75 #include "G4Pow.hh"
76 #include "G4Threading.hh"
77 
78 class G4NistMessenger;
79 
80 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
81 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
82 
83 class G4NistManager
84 {
85 
86 public:
87 
88  static G4NistManager* Instance();
89  ~G4NistManager();
90 
91  // Get G4Element by index
92  //
93  inline G4Element* GetElement(size_t index) const;
94 
95  // Find or build G4Element by atomic number
96  //
97  inline G4Element* FindElement(G4int Z) const;
98  inline G4Element* FindOrBuildElement(G4int Z, G4bool isotopes=true);
99 
100  // Find or build G4Element by symbol
101  //
102  inline G4Element* FindOrBuildElement(const G4String& symb,
103  G4bool isotopes=true);
104 
105  // Get number of elements
106  //
107  inline size_t GetNumberOfElements() const;
108 
109  // Get atomic number by element symbol
110  //
111  inline G4int GetZ(const G4String& symb) const;
112 
113  // Get atomic weight by element symbol - mean mass in units of amu of
114  // an atom with electron shell for the natural isotope composition
115  //
116  inline G4double GetAtomicMassAmu(const G4String& symb) const;
117 
118  // Get atomic weight in atomic units - mean mass in units of amu of an atom
119  // with electron shell for the natural isotope composition
120  //
121  inline G4double GetAtomicMassAmu(G4int Z) const;
122 
123  // Get mass of isotope without electron shell in Geant4 energy units
124  //
125  inline G4double GetIsotopeMass(G4int Z, G4int N) const;
126 
127  // Get mass in Geant4 energy units of an atom of a particular isotope
128  // with the electron shell
129  //
130  inline G4double GetAtomicMass(G4int Z, G4int N) const;
131 
132  // Get total ionisation energy of an atom
133  //
134  inline G4double GetTotalElectronBindingEnergy(G4int Z) const;
135 
136  // Get N for the first natural isotope
137  //
138  inline G4int GetNistFirstIsotopeN(G4int Z) const;
139 
140  // Get number of natural isotopes
141  //
142  inline G4int GetNumberOfNistIsotopes(G4int Z) const;
143 
144  // Get natural isotope abundance
145  //
146  inline G4double GetIsotopeAbundance(G4int Z, G4int N) const;
147 
148  // Print element by Z
149  //
150  inline void PrintElement(G4int Z) const;
151 
152  // Print element from internal DB by symbol, if "all" - print all elements
153  //
154  void PrintElement(const G4String&) const;
155 
156  // Print G4Element by name, if "all" - print all G4Elements
157  //
158  void PrintG4Element(const G4String&) const;
159 
160  // Access to the vector of Geant4 predefined element names
161  //
162  inline const std::vector<G4String>& GetNistElementNames() const;
163 
164  // Access mean ionisation energy for atoms (Z <= 98) by its index
165  //
166  inline G4double GetMeanIonisationEnergy(G4int Z) const;
167 
168  // Access nominal density by atomic number for simple materials and
169  // by the index for other NIST materials
170  //
171  inline G4double GetNominalDensity(G4int Z) const;
172 
173  // Get G4Material by index
174  //
175  inline G4Material* GetMaterial(size_t index) const;
176 
177  // Find or build a G4Material by name, from the Geant4 dataBase
178  //
179  inline G4Material* FindMaterial(const G4String& name) const;
180  inline G4Material* FindOrBuildMaterial(const G4String& name,
181  G4bool isotopes=true,
182  G4bool warning=false);
183 
184  // Find or build a simple material via atomic number
185  //
186  inline G4Material* FindSimpleMaterial(G4int Z) const;
187  inline G4Material* FindOrBuildSimpleMaterial(G4int Z,
188  G4bool warning=false);
189 
190  // Build G4Material with user defined name and density on base
191  // of a material from Geant4 dataBase
192  //
193  G4Material* BuildMaterialWithNewDensity(const G4String& name,
194  const G4String& basename,
195  G4double density = 0.0,
196  G4double temp = NTP_Temperature,
197  G4double pres = CLHEP::STP_Pressure);
198 
199  // Construct a G4Material from scratch by atome count
200  // temperature and pressure should be consistent with the density
201  //
202  inline G4Material* ConstructNewMaterial(
203  const G4String& name,
204  const std::vector<G4String>& elm,
205  const std::vector<G4int>& nbAtoms,
206  G4double dens,
207  G4bool isotopes=true,
208  G4State state = kStateSolid,
209  G4double temp = NTP_Temperature,
210  G4double pressure = CLHEP::STP_Pressure);
211 
212  // Construct a G4Material from scratch by fraction mass
213  // temperature and pressure should be consistent with the density
214  //
215  inline G4Material* ConstructNewMaterial(
216  const G4String& name,
217  const std::vector<G4String>& elm,
218  const std::vector<G4double>& weight,
219  G4double dens,
220  G4bool isotopes=true,
221  G4State state = kStateSolid,
222  G4double temp = NTP_Temperature,
223  G4double pressure = CLHEP::STP_Pressure);
224 
225  // Construct a gas G4Material from scratch by atome count
226  //
227  inline G4Material* ConstructNewGasMaterial(const G4String& name,
228  const G4String& nameNist,
229  G4double temp,
230  G4double pres,
231  G4bool isotopes=true);
232 
233  // Construct an ideal gas G4Material from scratch by atom count
234  //
235  inline G4Material* ConstructNewIdealGasMaterial(
236  const G4String& name,
237  const std::vector<G4String>& elm,
238  const std::vector<G4int>& nbAtoms,
239  G4bool isotopes = true,
240  G4double temp = NTP_Temperature,
241  G4double pressure = CLHEP::STP_Pressure);
242 
243  // enable/disable density effect calculator by material name
244  //
245  void SetDensityEffectCalculatorFlag(const G4String&, G4bool);
246 
247  // enable/disable density effect calculator by material pointer
248  //
249  void SetDensityEffectCalculatorFlag(G4Material*, G4bool);
250 
251  // Get number of G4Materials
252  //
253  inline size_t GetNumberOfMaterials() const;
254 
255  inline G4int GetVerbose() const;
256 
257  void SetVerbose(G4int);
258 
259  // Print G4Material by name
260  //
261  void PrintG4Material(const G4String&) const;
262 
263  // Print predefined Geant4 materials:
264  // "simple" - only pure materials in basic state (Z = 1, ..., 98)
265  // "compound" - NIST compounds
266  // "hep" - HEP materials and compounds
267  // "bio" - bio-medical materials and compounds
268  // "all" - all
269  //
270  inline void ListMaterials(const G4String&) const;
271 
272  // Access to the list of names of Geant4 predefined materials
273  //
274  inline const std::vector<G4String>& GetNistMaterialNames() const;
275 
276  // Fast computation of Z^1/3
277  //
278  inline G4double GetZ13(G4double Z) const;
279  inline G4double GetZ13(G4int Z) const;
280 
281  // Fast computation of A^0.27 for natuaral abundances
282  //
283  inline G4double GetA27(G4int Z) const;
284 
285  // Fast computation of log(A)
286  //
287  inline G4double GetLOGZ(G4int Z) const;
288  inline G4double GetLOGAMU(G4int Z) const;
289 
290  G4ICRU90StoppingData* GetICRU90StoppingData();
291 
292 private:
293 
294  explicit G4NistManager();
295 
296  static G4NistManager* instance;
297 
298  std::vector<G4Element*> elements;
299  std::vector<G4Material*> materials;
300 
301  G4ICRU90StoppingData* fICRU90;
302  G4NistElementBuilder* elmBuilder;
303  G4NistMaterialBuilder* matBuilder;
304  G4NistMessenger* messenger;
305  G4Pow* g4pow;
306 
307  G4double POWERA27[101];
308  G4double LOGAZ[101];
309 
310  size_t nElements;
311  size_t nMaterials;
312  G4int verbose;
313 
314 #ifdef G4MULTITHREADED
315  static G4Mutex nistManagerMutex;
316 #endif
317 };
318 
319 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
320 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
321 
322 inline size_t G4NistManager::GetNumberOfMaterials() const
323 {
324  return nMaterials;
325 }
326 
327 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
328 
329 inline G4Element* G4NistManager::GetElement(size_t index) const
330 {
331  const G4ElementTable* theElementTable = G4Element::GetElementTable();
332  return (index < theElementTable->size()) ? (*theElementTable)[index] : nullptr;
333 }
334 
335 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
336 
337 inline
338 G4Element* G4NistManager::FindElement(G4int Z) const
339 {
340  return elmBuilder->FindElement(Z);
341 }
342 
343 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
344 
345 inline
346 G4Element* G4NistManager::FindOrBuildElement(G4int Z, G4bool isotopes)
347 {
348  return elmBuilder->FindOrBuildElement(Z, isotopes);
349 }
350 
351 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
352 
353 inline
354 G4Element* G4NistManager::FindOrBuildElement(const G4String& symb,
355  G4bool isotopes)
356 {
357  return elmBuilder->FindOrBuildElement(symb, isotopes);
358 }
359 
360 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
361 
362 inline size_t G4NistManager::GetNumberOfElements() const
363 {
364  return nElements;
365 }
366 
367 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
368 
369 inline G4int G4NistManager::GetZ(const G4String& symb) const
370 {
371  return elmBuilder->GetZ(symb);
372 }
373 
374 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
375 
376 inline G4double G4NistManager::GetAtomicMassAmu(const G4String& symb) const
377 {
378  return elmBuilder->GetAtomicMassAmu(symb);
379 }
380 
381 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
382 
383 inline G4double G4NistManager::GetAtomicMassAmu(G4int Z) const
384 {
385  return elmBuilder->GetAtomicMassAmu(Z);
386 }
387 
388 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
389 
390 inline
391 G4double G4NistManager::GetIsotopeMass(G4int Z, G4int N) const
392 {
393  return elmBuilder->GetIsotopeMass(Z, N);
394 }
395 
396 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
397 
398 inline
399 G4double G4NistManager::GetAtomicMass(G4int Z, G4int N) const
400 {
401  return elmBuilder->GetAtomicMass(Z, N);
402 }
403 
404 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
405 
406 inline
407 G4double G4NistManager::GetTotalElectronBindingEnergy(G4int Z) const
408 {
409  return elmBuilder->GetTotalElectronBindingEnergy(Z);
410 }
411 
412 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
413 
414 inline
415 G4double G4NistManager::GetIsotopeAbundance(G4int Z, G4int N) const
416 {
417  return elmBuilder->GetIsotopeAbundance(Z, N);
418 }
419 
420 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
421 
422 inline
423 G4int G4NistManager::GetNistFirstIsotopeN(G4int Z) const
424 {
425  return elmBuilder->GetNistFirstIsotopeN(Z);
426 }
427 
428 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
429 
430 inline
431 G4int G4NistManager::GetNumberOfNistIsotopes(G4int Z) const
432 {
433  return elmBuilder->GetNumberOfNistIsotopes(Z);
434 }
435 
436 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
437 
438 inline
439 const std::vector<G4String>& G4NistManager::GetNistElementNames() const
440 {
441  return elmBuilder->GetElementNames();
442 }
443 
444 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
445 
446 inline G4double G4NistManager::GetMeanIonisationEnergy(G4int Z) const
447 {
448  return matBuilder->GetMeanIonisationEnergy(Z);
449 }
450 
451 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
452 
453 inline G4double G4NistManager::GetNominalDensity(G4int Z) const
454 {
455  return matBuilder->GetNominalDensity(Z);
456 }
457 
458 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
459 
460 inline void G4NistManager::PrintElement(G4int Z) const
461 {
462  elmBuilder->PrintElement(Z);
463 }
464 
465 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
466 
467 inline G4Material* G4NistManager::GetMaterial(size_t index) const
468 {
469  const G4MaterialTable* theMaterialTable = G4Material::GetMaterialTable();
470  return (index < theMaterialTable->size()) ? (*theMaterialTable)[index] : nullptr;
471 }
472 
473 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
474 
475 inline G4int G4NistManager::GetVerbose() const
476 {
477  return verbose;
478 }
479 
480 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
481 
482 inline
483 G4Material* G4NistManager::FindMaterial(const G4String& name) const
484 {
485  return matBuilder->FindMaterial(name);
486 }
487 
488 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
489 
490 inline
491 G4Material* G4NistManager::FindOrBuildMaterial(const G4String& name,
492  G4bool isotopes,
493  G4bool warning)
494 {
495  return matBuilder->FindOrBuildMaterial(name, isotopes, warning);
496 }
497 
498 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
499 
500 inline
501 G4Material* G4NistManager::FindSimpleMaterial(G4int Z) const
502 {
503  return matBuilder->FindSimpleMaterial(Z);
504 }
505 
506 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
507 
508 inline
509 G4Material* G4NistManager::FindOrBuildSimpleMaterial(G4int Z, G4bool warning)
510 {
511  return matBuilder->FindOrBuildSimpleMaterial(Z, warning);
512 }
513 
514 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
515 
516 inline G4Material* G4NistManager::ConstructNewMaterial(
517  const G4String& name,
518  const std::vector<G4String>& elm,
519  const std::vector<G4int>& nbAtoms,
520  G4double dens,
521  G4bool isotopes,
522  G4State state,
523  G4double T,
524  G4double P)
525 
526 {
527  return
528  matBuilder->ConstructNewMaterial(name,elm,nbAtoms,dens,isotopes,state,T,P);
529 }
530 
531 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
532 
533 inline G4Material* G4NistManager::ConstructNewMaterial(
534  const G4String& name,
535  const std::vector<G4String>& elm,
536  const std::vector<G4double>& w,
537  G4double dens,
538  G4bool isotopes,
539  G4State state,
540  G4double T,
541  G4double P)
542 {
543  return matBuilder->ConstructNewMaterial(name,elm,w,dens,isotopes,state,T,P);
544 }
545 
546 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
547 
548 inline G4Material* G4NistManager::ConstructNewGasMaterial(
549  const G4String& name,
550  const G4String& nameNist,
551  G4double temp, G4double pres,
552  G4bool isotopes)
553 {
554  return matBuilder->ConstructNewGasMaterial(name,nameNist,
555  temp,pres,isotopes);
556 }
557 
558 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
559 
560 inline G4Material* G4NistManager::ConstructNewIdealGasMaterial(
561  const G4String& name,
562  const std::vector<G4String>& elm,
563  const std::vector<G4int>& nbAtoms,
564  G4bool isotopes,
565  G4double T,
566  G4double P)
567 {
568  return
569  matBuilder->ConstructNewIdealGasMaterial(name,elm,nbAtoms,isotopes,T,P);
570 }
571 
572 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
573 
574 inline void G4NistManager::ListMaterials(const G4String& list) const
575 {
576  matBuilder->ListMaterials(list);
577 }
578 
579 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
580 
581 inline
582 const std::vector<G4String>& G4NistManager::GetNistMaterialNames() const
583 {
584  return matBuilder->GetMaterialNames();
585 }
586 
587 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
588 
589 inline G4double G4NistManager::GetZ13(G4double A) const
590 {
591  return g4pow->A13(A);
592 }
593 
594 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
595 
596 inline G4double G4NistManager::GetZ13(G4int Z) const
597 {
598  return g4pow->Z13(Z);
599 }
600 
601 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
602 
603 inline G4double G4NistManager::GetA27(G4int Z) const
604 {
605  return (0 <= Z && Z < 101) ? POWERA27[Z] : 0.0;
606 }
607 
608 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
609 
610 inline G4double G4NistManager::GetLOGZ(G4int Z) const
611 {
612  return g4pow->logZ(Z);
613 }
614 
615 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
616 
617 inline G4double G4NistManager::GetLOGAMU(G4int Z) const
618 {
619  return (0 <= Z && Z < 101) ? LOGAZ[Z] : 0.0;
620 }
621 
622 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
623 
624 #endif
625