source: trunk/source/materials/src/G4Element.cc@ 1059

Last change on this file since 1059 was 986, checked in by garnier, 17 years ago

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[850]27// $Id: G4Element.cc,v 1.31 2008/08/11 11:53:11 vnivanch Exp $
[986]28// GEANT4 tag $Name: geant4-09-02-ref-02 $
[822]29//
30//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
31
32// 26-06-96: Code uses operators (+=, *=, ++, -> etc.) correctly, P. Urban
33// 09-07-96: new data members added by L.Urban
34// 17-01-97: aesthetic rearrangement, M.Maire
35// 20-01-97: Compute Tsai's formula for the rad length, M.Maire
36// 21-01-97: remove mixture flag, M.Maire
37// 24-01-97: ComputeIonisationParameters().
38// new data member: fTaul, M.Maire
39// 29-01-97: Forbidden to create Element with Z<1 or N<Z, M.Maire
40// 20-03-97: corrected initialization of pointers, M.Maire
41// 28-04-98: atomic subshell binding energies stuff, V. Grichine
42// 09-07-98: Ionisation parameters removed from the class, M.Maire
43// 16-11-98: name Subshell -> Shell; GetBindingEnergy() (mma)
44// 09-03-01: assignement operator revised (mma)
45// 02-05-01: check identical Z in AddIsotope (marc)
46// 03-05-01: flux.precision(prec) at begin/end of operator<<
47// 13-09-01: suppression of the data member fIndexInTable
48// 14-09-01: fCountUse: nb of materials which use this element
49// 26-02-02: fIndexInTable renewed
50// 30-03-05: warning in GetElement(elementName)
51// 15-11-05: GetElement(elementName, G4bool warning=true)
52// 17-10-06: Add fNaturalAbandances (V.Ivanchenko)
53// 27-07-07, improve destructor (V.Ivanchenko)
54// 18-10-07, move definition of material index to ComputeDerivedQuantities (V.Ivanchenko)
55
56//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
57
58#include "G4Element.hh"
59#include <iomanip>
60
61G4ElementTable G4Element::theElementTable;
62
63//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
64
65// Constructor to Generate an element from scratch
66
67G4Element::G4Element(const G4String& name, const G4String& symbol,
68 G4double zeff, G4double aeff)
69 : fName(name), fSymbol(symbol)
70{
[850]71 G4int iz = (G4int)zeff;
72 if (zeff<1.) {
73 G4cout << "G4Element ERROR: " << name << " Z= " << zeff
74 << " A= " << aeff/(g/mole) << G4endl;
75 G4Exception (" ERROR from G4Element::G4Element !"
76 " It is not allowed to create an Element with Z < 1" );
77 }
78 if (std::abs(zeff - iz) > perMillion) {
79 G4cout << "G4Element Warning: " << name << " Z= " << zeff
80 << " A= " << aeff/(g/mole) << G4endl;
[822]81 G4cerr << name << " : WARNING from G4Element::G4Element !"
82 " Trying to define an element as a mixture directly via effective Z."
83 << G4endl;
[850]84 }
[822]85
86 InitializePointers();
87
88 fZeff = zeff;
89 fNeff = aeff/(g/mole);
90 fAeff = aeff;
[850]91
92 if(fNeff < 1.0) fNeff = 1.0;
93
94 if (fNeff < zeff) {
95 G4cout << "G4Element ERROR: " << name << " Z= " << zeff
96 << " A= " << fNeff << G4endl;
97 G4Exception (" ERROR from G4Element::G4Element !"
98 " Attempt to create an Element with N < Z !!!" );
99 }
[822]100
[850]101 fNbOfAtomicShells = G4AtomicShells::GetNumberOfShells(iz);
[822]102 fAtomicShells = new G4double[fNbOfAtomicShells];
[850]103 for (G4int i=0;i<fNbOfAtomicShells;i++) {
104 fAtomicShells[i] = G4AtomicShells::GetBindingEnergy(iz, i);
105 }
[822]106 ComputeDerivedQuantities();
107}
108
109//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
110
111// Constructor to Generate element from a List of 'nIsotopes' isotopes, added
112// via AddIsotope
113
114G4Element::G4Element(const G4String& name,
115 const G4String& symbol, G4int nIsotopes)
116 : fName(name),fSymbol(symbol)
117{
118 InitializePointers();
119
120 size_t n = size_t(nIsotopes);
121
122 theIsotopeVector = new G4IsotopeVector(n,0);
123 fRelativeAbundanceVector = new G4double[nIsotopes];
124}
125
126//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
127
128// Add an isotope to the element
129
130void G4Element::AddIsotope(G4Isotope* isotope, G4double abundance)
131{
[850]132 if (theIsotopeVector == 0) {
133 G4cout << "G4Element ERROR: " << fName << G4endl;
[822]134 G4Exception ("ERROR from G4Element::AddIsotope!"
135 " Trying to add an Isotope before contructing the element.");
[850]136 }
137 G4int iz = isotope->GetZ();
[822]138
139 // filling ...
140 if ( fNumberOfIsotopes < theIsotopeVector->size() ) {
141 // check same Z
[850]142 if (fNumberOfIsotopes==0) fZeff = G4double(iz);
143 else if (G4double(iz) != fZeff) {
[822]144 G4Exception ("ERROR from G4Element::AddIsotope!"
145 " Try to add isotopes with different Z");
[850]146 }
[822]147 //Z ok
148 fRelativeAbundanceVector[fNumberOfIsotopes] = abundance;
149 (*theIsotopeVector)[fNumberOfIsotopes] = isotope;
150 ++fNumberOfIsotopes;
151 isotope->increaseCountUse();
[850]152 } else {
153 G4cout << "G4Element ERROR: " << fName << G4endl;
154 G4Exception ("ERROR from G4Element::AddIsotope!"
155 " Attempt to add more than the declared number of isotopes.");
156 }
[822]157
158 // filled.
159 if ( fNumberOfIsotopes == theIsotopeVector->size() ) {
160 // Compute Neff, Aeff
161 G4double wtSum=0.0;
162
163 fNeff = fAeff = 0.0;
164 for (size_t i=0;i<fNumberOfIsotopes;i++) {
165 fNeff += fRelativeAbundanceVector[i]*(*theIsotopeVector)[i]->GetN();
166 fAeff += fRelativeAbundanceVector[i]*(*theIsotopeVector)[i]->GetA();
167 wtSum += fRelativeAbundanceVector[i];
168 }
169 fNeff /= wtSum;
170 fAeff /= wtSum;
171
[850]172 fNbOfAtomicShells = G4AtomicShells::GetNumberOfShells(iz);
[822]173 fAtomicShells = new G4double[fNbOfAtomicShells];
[850]174 for (G4int j=0;j<fNbOfAtomicShells;j++) {
175 fAtomicShells[j] = G4AtomicShells::GetBindingEnergy(iz, j);
176 }
[822]177
178 ComputeDerivedQuantities();
179
180 }
181}
182
183//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
184
185void G4Element::InitializePointers()
186{
187 theIsotopeVector = 0;
188 fRelativeAbundanceVector = 0;
189 fAtomicShells = 0;
190 fIonisation = 0;
191 fNumberOfIsotopes = 0;
192 fNaturalAbandances = false;
193}
194
195//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
196
197// Fake default constructor - sets only member data and allocates memory
198// for usage restricted to object persistency
199
200G4Element::G4Element( __void__& )
201 : fZeff(0), fNeff(0), fAeff(0), fNbOfAtomicShells(0),
202 fAtomicShells(0), fNumberOfIsotopes(0), theIsotopeVector(0),
203 fRelativeAbundanceVector(0), fCountUse(0), fIndexInTable(0),
204 fCoulomb(0), fRadTsai(0), fIonisation(0)
205{
206}
207
208//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
209
210G4Element::~G4Element()
211{
212 // G4cout << "### Destruction of element " << fName << " started" <<G4endl;
213
214 if (theIsotopeVector) delete theIsotopeVector;
215 if (fRelativeAbundanceVector) delete [] fRelativeAbundanceVector;
216 if (fAtomicShells) delete [] fAtomicShells;
217 if (fIonisation) delete fIonisation;
218
219 //remove this element from theElementTable
220 theElementTable[fIndexInTable] = 0;
221}
222
223//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
224
225void G4Element::ComputeDerivedQuantities()
226{
227 // some basic functions of the atomic number
228
229 // Store in table
230 theElementTable.push_back(this);
231 fIndexInTable = theElementTable.size() - 1;
232
233 // check if elements with same Z already exist
234 fIndexZ = 0;
[850]235 for (size_t J=0 ; J<fIndexInTable ; J++) {
[822]236 if (theElementTable[J]->GetZ() == fZeff) fIndexZ++;
[850]237 }
[822]238 //nb of materials which use this element
239 fCountUse = 0;
240
241 // Radiation Length
242 ComputeCoulombFactor();
243 ComputeLradTsaiFactor();
244
245 // parameters for energy loss by ionisation
246 if (fIonisation) delete fIonisation;
247 fIonisation = new G4IonisParamElm(fZeff);
248}
249
250//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
251
252void G4Element::ComputeCoulombFactor()
253{
254 //
255 // Compute Coulomb correction factor (Phys Rev. D50 3-1 (1994) page 1254)
256
257 const G4double k1 = 0.0083 , k2 = 0.20206 ,k3 = 0.0020 , k4 = 0.0369 ;
258
259 G4double az2 = (fine_structure_const*fZeff)*(fine_structure_const*fZeff);
260 G4double az4 = az2 * az2;
261
262 fCoulomb = (k1*az4 + k2 + 1./(1.+az2))*az2 - (k3*az4 + k4)*az4;
263}
264
265//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
266
267void G4Element::ComputeLradTsaiFactor()
268{
269 //
270 // Compute Tsai's Expression for the Radiation Length
271 // (Phys Rev. D50 3-1 (1994) page 1254)
272
273 const G4double Lrad_light[] = {5.31 , 4.79 , 4.74 , 4.71} ;
274 const G4double Lprad_light[] = {6.144 , 5.621 , 5.805 , 5.924} ;
275
276 const G4double logZ3 = std::log(fZeff)/3.;
277
278 G4double Lrad, Lprad;
[850]279 G4int iz = (G4int)(fZeff+0.5) - 1 ;
[822]280 if (iz <= 3) { Lrad = Lrad_light[iz] ; Lprad = Lprad_light[iz] ; }
281 else { Lrad = std::log(184.15) - logZ3 ; Lprad = std::log(1194.) - 2*logZ3;}
282
283 fRadTsai = 4*alpha_rcl2*fZeff*(fZeff*(Lrad-fCoulomb) + Lprad);
284}
285
286//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
287
288G4double G4Element::GetAtomicShell(G4int i) const
289{
290 if (i<0 || i>=fNbOfAtomicShells)
291 G4Exception("Invalid argument in G4Element::GetAtomicShell");
292 return fAtomicShells[i];
293}
294
295//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
296
297const G4ElementTable* G4Element::GetElementTable()
298{
299 return &theElementTable;
300}
301
302//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
303
304size_t G4Element::GetNumberOfElements()
305{
306 return theElementTable.size();
307}
308
309//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
310
311G4Element* G4Element::GetElement(G4String elementName, G4bool warning)
312{
313 // search the element by its name
314 for (size_t J=0 ; J<theElementTable.size() ; J++)
315 {
316 if (theElementTable[J]->GetName() == elementName)
317 return theElementTable[J];
318 }
319
320 // the element does not exist in the table
321 if (warning) {
322 G4cout << "\n---> warning from G4Element::GetElement(). The element: "
323 << elementName << " does not exist in the table. Return NULL pointer."
324 << G4endl;
325 }
326 return 0;
327}
328
329//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
330
331G4Element::G4Element(G4Element& right)
332{
333 InitializePointers();
334 *this = right;
335
336 // Store this new element in table and set the index
337 theElementTable.push_back(this);
338 fIndexInTable = theElementTable.size() - 1;
339}
340
341//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
342
343const G4Element& G4Element::operator=(const G4Element& right)
344{
345 if (this != &right)
346 {
347 fName = right.fName;
348 fSymbol = right.fSymbol;
349 fZeff = right.fZeff;
350 fNeff = right.fNeff;
351 fAeff = right.fAeff;
352
353 if (fAtomicShells) delete [] fAtomicShells;
354 fNbOfAtomicShells = right.fNbOfAtomicShells;
355 fAtomicShells = new G4double[fNbOfAtomicShells];
356 for (G4int i=0;i<fNbOfAtomicShells;i++)
357 fAtomicShells[i] = right.fAtomicShells[i];
358
359 if (theIsotopeVector) delete theIsotopeVector;
360 if (fRelativeAbundanceVector) delete [] fRelativeAbundanceVector;
361
362 fNumberOfIsotopes = right.fNumberOfIsotopes;
363 if (fNumberOfIsotopes > 0)
364 {
365 theIsotopeVector = new G4IsotopeVector(fNumberOfIsotopes,0);
366 fRelativeAbundanceVector = new G4double[fNumberOfIsotopes];
367 for (size_t i=0;i<fNumberOfIsotopes;i++)
368 {
369 (*theIsotopeVector)[i] = (*right.theIsotopeVector)[i];
370 fRelativeAbundanceVector[i] = right.fRelativeAbundanceVector[i];
371 }
372 }
373 ComputeDerivedQuantities();
374 }
375 return *this;
376}
377
378//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
379
380G4int G4Element::operator==(const G4Element& right) const
381{
382 return (this == (G4Element*) &right);
383}
384
385//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
386
387G4int G4Element::operator!=(const G4Element& right) const
388{
389 return (this != (G4Element*) &right);
390}
391
392//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
393
394std::ostream& operator<<(std::ostream& flux, G4Element* element)
395{
396 std::ios::fmtflags mode = flux.flags();
397 flux.setf(std::ios::fixed,std::ios::floatfield);
398 G4long prec = flux.precision(3);
399
400 flux
401 << " Element: " << element->fName << " (" << element->fSymbol << ")"
402 << " Z = " << std::setw(4) << std::setprecision(1) << element->fZeff
403 << " N = " << std::setw(5) << std::setprecision(1) << element->fNeff
404 << " A = " << std::setw(6) << std::setprecision(2)
405 << (element->fAeff)/(g/mole) << " g/mole";
406
407 for (size_t i=0; i<element->fNumberOfIsotopes; i++)
408 flux
409 << "\n ---> " << (*(element->theIsotopeVector))[i]
410 << " abundance: " << std::setw(6) << std::setprecision(2)
411 << (element->fRelativeAbundanceVector[i])/perCent << " %";
412
413 flux.precision(prec);
414 flux.setf(mode,std::ios::floatfield);
415 return flux;
416}
417
418//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
419
420 std::ostream& operator<<(std::ostream& flux, G4Element& element)
421{
422 flux << &element;
423 return flux;
424}
425
426//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
427
428std::ostream& operator<<(std::ostream& flux, G4ElementTable ElementTable)
429{
430 //Dump info for all known elements
431 flux << "\n***** Table : Nb of elements = " << ElementTable.size()
432 << " *****\n" << G4endl;
433
434 for (size_t i=0; i<ElementTable.size(); i++) flux << ElementTable[i]
435 << G4endl << G4endl;
436
437 return flux;
438}
439
440//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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