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>> 26 // $Id: G4PenelopePhotoElectricModel.cc 99415 2016-09-21 09:05:43Z gcosmo $
26 // 27 //
27 // Author: Luciano Pandola 28 // Author: Luciano Pandola
28 // 29 //
29 // History: 30 // History:
30 // -------- 31 // --------
31 // 08 Jan 2010 L Pandola First implementati 32 // 08 Jan 2010 L Pandola First implementation
32 // 01 Feb 2011 L Pandola Suppress fake ener 33 // 01 Feb 2011 L Pandola Suppress fake energy-violation warning when Auger
33 // is active. 34 // is active.
34 // Make sure that flu 35 // Make sure that fluorescence/Auger is generated
35 // only if above thre 36 // only if above threshold
36 // 25 May 2011 L Pandola Renamed (make v200 37 // 25 May 2011 L Pandola Renamed (make v2008 as default Penelope)
37 // 10 Jun 2011 L Pandola Migrate atomic dee 38 // 10 Jun 2011 L Pandola Migrate atomic deexcitation interface
38 // 07 Oct 2011 L Pandola Bug fix (potential 39 // 07 Oct 2011 L Pandola Bug fix (potential violation of energy conservation)
39 // 27 Sep 2013 L Pandola Migrate to MT para 40 // 27 Sep 2013 L Pandola Migrate to MT paradigm, only master model manages
40 // tables. 41 // tables.
41 // 02 Oct 2013 L Pandola Rewrite sampling a 42 // 02 Oct 2013 L Pandola Rewrite sampling algorithm of SelectRandomShell()
42 // to improve CPU per 43 // to improve CPU performances
43 // 44 //
44 45
45 #include "G4PenelopePhotoElectricModel.hh" 46 #include "G4PenelopePhotoElectricModel.hh"
46 #include "G4PhysicalConstants.hh" 47 #include "G4PhysicalConstants.hh"
47 #include "G4SystemOfUnits.hh" 48 #include "G4SystemOfUnits.hh"
48 #include "G4ParticleDefinition.hh" 49 #include "G4ParticleDefinition.hh"
49 #include "G4MaterialCutsCouple.hh" 50 #include "G4MaterialCutsCouple.hh"
50 #include "G4DynamicParticle.hh" 51 #include "G4DynamicParticle.hh"
51 #include "G4PhysicsTable.hh" 52 #include "G4PhysicsTable.hh"
52 #include "G4PhysicsFreeVector.hh" 53 #include "G4PhysicsFreeVector.hh"
53 #include "G4ElementTable.hh" 54 #include "G4ElementTable.hh"
54 #include "G4Element.hh" 55 #include "G4Element.hh"
55 #include "G4AtomicTransitionManager.hh" 56 #include "G4AtomicTransitionManager.hh"
56 #include "G4AtomicShell.hh" 57 #include "G4AtomicShell.hh"
57 #include "G4Gamma.hh" 58 #include "G4Gamma.hh"
58 #include "G4Electron.hh" 59 #include "G4Electron.hh"
59 #include "G4AutoLock.hh" 60 #include "G4AutoLock.hh"
60 #include "G4LossTableManager.hh" 61 #include "G4LossTableManager.hh"
61 #include "G4Exp.hh" 62 #include "G4Exp.hh"
62 63
63 //....oooOO0OOooo........oooOO0OOooo........oo 64 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
64 65
65 const G4int G4PenelopePhotoElectricModel::fMax <<
66 G4PhysicsTable* G4PenelopePhotoElectricModel:: <<
67 <<
68 //....oooOO0OOooo........oooOO0OOooo........oo <<
69 <<
70 G4PenelopePhotoElectricModel::G4PenelopePhotoE 66 G4PenelopePhotoElectricModel::G4PenelopePhotoElectricModel(const G4ParticleDefinition* part,
71 const G4String& nam) 67 const G4String& nam)
72 :G4VEmModel(nam),fParticleChange(nullptr),fP << 68 :G4VEmModel(nam),fParticleChange(0),fParticle(0),
73 fAtomDeexcitation(nullptr),fIsInitialised(f << 69 isInitialised(false),fAtomDeexcitation(0),logAtomicShellXS(0),fLocalTable(false)
74 { 70 {
75 fIntrinsicLowEnergyLimit = 100.0*eV; 71 fIntrinsicLowEnergyLimit = 100.0*eV;
76 fIntrinsicHighEnergyLimit = 100.0*GeV; 72 fIntrinsicHighEnergyLimit = 100.0*GeV;
77 // SetLowEnergyLimit(fIntrinsicLowEnergyLim 73 // SetLowEnergyLimit(fIntrinsicLowEnergyLimit);
78 SetHighEnergyLimit(fIntrinsicHighEnergyLimit 74 SetHighEnergyLimit(fIntrinsicHighEnergyLimit);
79 // 75 //
80 76
81 if (part) 77 if (part)
82 SetParticle(part); 78 SetParticle(part);
83 79
84 fVerboseLevel= 0; << 80 verboseLevel= 0;
85 // Verbosity scale: 81 // Verbosity scale:
86 // 0 = nothing 82 // 0 = nothing
87 // 1 = warning for energy non-conservation 83 // 1 = warning for energy non-conservation
88 // 2 = details of energy budget 84 // 2 = details of energy budget
89 // 3 = calculation of cross sections, file o 85 // 3 = calculation of cross sections, file openings, sampling of atoms
90 // 4 = entering in methods 86 // 4 = entering in methods
91 87
92 //Mark this model as "applicable" for atomic 88 //Mark this model as "applicable" for atomic deexcitation
93 SetDeexcitationFlag(true); 89 SetDeexcitationFlag(true);
94 90
95 fTransitionManager = G4AtomicTransitionManag 91 fTransitionManager = G4AtomicTransitionManager::Instance();
96 } 92 }
97 93
98 //....oooOO0OOooo........oooOO0OOooo........oo 94 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
99 95
100 G4PenelopePhotoElectricModel::~G4PenelopePhoto 96 G4PenelopePhotoElectricModel::~G4PenelopePhotoElectricModel()
101 { 97 {
102 if (IsMaster() || fLocalTable) 98 if (IsMaster() || fLocalTable)
103 { 99 {
104 for(G4int i=0; i<=fMaxZ; ++i) << 100 if (logAtomicShellXS)
105 { 101 {
106 if(fLogAtomicShellXS[i]) { << 102 for (auto& item : (*logAtomicShellXS))
107 fLogAtomicShellXS[i]->clearAndDestroy(); << 103 {
108 delete fLogAtomicShellXS[i]; << 104 //G4PhysicsTable* tab = item.second;
109 fLogAtomicShellXS[i] = nullptr; << 105 //tab->clearAndDestroy();
110 } << 106 delete item.second;
>> 107 }
111 } 108 }
>> 109 delete logAtomicShellXS;
112 } 110 }
113 } 111 }
114 112
115 //....oooOO0OOooo........oooOO0OOooo........oo 113 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
116 114
117 void G4PenelopePhotoElectricModel::Initialise( 115 void G4PenelopePhotoElectricModel::Initialise(const G4ParticleDefinition* particle,
118 const G4DataVector& cuts) 116 const G4DataVector& cuts)
119 { 117 {
120 if (fVerboseLevel > 3) << 118 if (verboseLevel > 3)
121 G4cout << "Calling G4PenelopePhotoElectri 119 G4cout << "Calling G4PenelopePhotoElectricModel::Initialise()" << G4endl;
122 120
123 fAtomDeexcitation = G4LossTableManager::Inst 121 fAtomDeexcitation = G4LossTableManager::Instance()->AtomDeexcitation();
124 //Issue warning if the AtomicDeexcitation ha 122 //Issue warning if the AtomicDeexcitation has not been declared
125 if (!fAtomDeexcitation) 123 if (!fAtomDeexcitation)
126 { 124 {
127 G4cout << G4endl; 125 G4cout << G4endl;
128 G4cout << "WARNING from G4PenelopePhotoE 126 G4cout << "WARNING from G4PenelopePhotoElectricModel " << G4endl;
129 G4cout << "Atomic de-excitation module i 127 G4cout << "Atomic de-excitation module is not instantiated, so there will not be ";
130 G4cout << "any fluorescence/Auger emissi 128 G4cout << "any fluorescence/Auger emission." << G4endl;
131 G4cout << "Please make sure this is inte 129 G4cout << "Please make sure this is intended" << G4endl;
132 } 130 }
133 131
134 SetParticle(particle); 132 SetParticle(particle);
135 133
136 //Only the master model creates/fills/destro 134 //Only the master model creates/fills/destroys the tables
137 if (IsMaster() && particle == fParticle) 135 if (IsMaster() && particle == fParticle)
138 { 136 {
>> 137
>> 138 // logAtomicShellXS is created only once, since it is never cleared
>> 139 if (!logAtomicShellXS)
>> 140 logAtomicShellXS = new std::map<G4int,G4PhysicsTable*>;
>> 141
139 G4ProductionCutsTable* theCoupleTable = 142 G4ProductionCutsTable* theCoupleTable =
140 G4ProductionCutsTable::GetProductionCutsTabl 143 G4ProductionCutsTable::GetProductionCutsTable();
141 144
142 for (G4int i=0;i<(G4int)theCoupleTable-> << 145 for (size_t i=0;i<theCoupleTable->GetTableSize();i++)
143 { 146 {
144 const G4Material* material = 147 const G4Material* material =
145 theCoupleTable->GetMaterialCutsCouple(i) 148 theCoupleTable->GetMaterialCutsCouple(i)->GetMaterial();
146 const G4ElementVector* theElementVector = 149 const G4ElementVector* theElementVector = material->GetElementVector();
147 150
148 for (std::size_t j=0;j<material->GetNumber << 151 for (size_t j=0;j<material->GetNumberOfElements();j++)
149 { 152 {
150 G4int iZ = theElementVector->at(j)->Ge << 153 G4int iZ = (G4int) theElementVector->at(j)->GetZ();
151 //read data files only in the master 154 //read data files only in the master
152 if (!fLogAtomicShellXS[iZ]) << 155 if (!logAtomicShellXS->count(iZ))
153 ReadDataFile(iZ); 156 ReadDataFile(iZ);
154 } 157 }
155 } 158 }
156 159
>> 160
157 InitialiseElementSelectors(particle,cuts 161 InitialiseElementSelectors(particle,cuts);
158 162
159 if (fVerboseLevel > 0) { << 163 if (verboseLevel > 0) {
160 G4cout << "Penelope Photo-Electric model v20 164 G4cout << "Penelope Photo-Electric model v2008 is initialized " << G4endl
161 << "Energy range: " 165 << "Energy range: "
162 << LowEnergyLimit() / MeV << " MeV - 166 << LowEnergyLimit() / MeV << " MeV - "
163 << HighEnergyLimit() / GeV << " GeV"; 167 << HighEnergyLimit() / GeV << " GeV";
164 } 168 }
165 } 169 }
166 170
167 if(fIsInitialised) return; << 171 if(isInitialised) return;
168 fParticleChange = GetParticleChangeForGamma( 172 fParticleChange = GetParticleChangeForGamma();
169 fIsInitialised = true; << 173 isInitialised = true;
170 174
171 } 175 }
172 176
173 void G4PenelopePhotoElectricModel::InitialiseL 177 void G4PenelopePhotoElectricModel::InitialiseLocal(const G4ParticleDefinition* part,
174 G4VEmModel *masterModel) 178 G4VEmModel *masterModel)
175 { 179 {
176 if (fVerboseLevel > 3) << 180 if (verboseLevel > 3)
177 G4cout << "Calling G4PenelopePhotoElectri 181 G4cout << "Calling G4PenelopePhotoElectricModel::InitialiseLocal()" << G4endl;
>> 182
178 // 183 //
179 //Check that particle matches: one might hav 184 //Check that particle matches: one might have multiple master models (e.g.
180 //for e+ and e-). 185 //for e+ and e-).
181 // 186 //
182 if (part == fParticle) 187 if (part == fParticle)
183 { 188 {
184 SetElementSelectors(masterModel->GetElem 189 SetElementSelectors(masterModel->GetElementSelectors());
185 190
186 //Get the const table pointers from the 191 //Get the const table pointers from the master to the workers
187 const G4PenelopePhotoElectricModel* theM 192 const G4PenelopePhotoElectricModel* theModel =
188 static_cast<G4PenelopePhotoElectricModel*> ( 193 static_cast<G4PenelopePhotoElectricModel*> (masterModel);
189 for(G4int i=0; i<=fMaxZ; ++i) << 194
190 fLogAtomicShellXS[i] = theModel->fLogAtomicS << 195 logAtomicShellXS = theModel->logAtomicShellXS;
>> 196
191 //Same verbosity for all workers, as the 197 //Same verbosity for all workers, as the master
192 fVerboseLevel = theModel->fVerboseLevel; << 198 verboseLevel = theModel->verboseLevel;
193 } 199 }
194 200
195 return; 201 return;
196 } 202 }
197 203
198 //....oooOO0OOooo........oooOO0OOooo........oo 204 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
199 namespace { G4Mutex PenelopePhotoElectricMode 205 namespace { G4Mutex PenelopePhotoElectricModelMutex = G4MUTEX_INITIALIZER; }
200 G4double G4PenelopePhotoElectricModel::Compute 206 G4double G4PenelopePhotoElectricModel::ComputeCrossSectionPerAtom(
201 const G4ParticleDefinition*, 207 const G4ParticleDefinition*,
202 G4double energy, 208 G4double energy,
203 G4double Z, G4double, 209 G4double Z, G4double,
204 G4double, G4double) 210 G4double, G4double)
205 { 211 {
206 // 212 //
207 // Penelope model v2008 213 // Penelope model v2008
208 // 214 //
209 if (fVerboseLevel > 3) << 215
>> 216 if (verboseLevel > 3)
210 G4cout << "Calling ComputeCrossSectionPerA 217 G4cout << "Calling ComputeCrossSectionPerAtom() of G4PenelopePhotoElectricModel" << G4endl;
211 218
212 G4int iZ = G4int(Z); << 219 G4int iZ = (G4int) Z;
213 220
214 if (!fLogAtomicShellXS[iZ]) << 221 //Either Initialize() was not called, or we are in a slave and InitializeLocal() was
>> 222 //not invoked
>> 223 if (!logAtomicShellXS)
>> 224 {
>> 225 //create a **thread-local** version of the table. Used only for G4EmCalculator and
>> 226 //Unit Tests
>> 227 fLocalTable = true;
>> 228 logAtomicShellXS = new std::map<G4int,G4PhysicsTable*>;
>> 229 }
>> 230
>> 231 //now it should be ok
>> 232 if (!logAtomicShellXS->count(iZ))
215 { 233 {
216 //If we are here, it means that Initiali 234 //If we are here, it means that Initialize() was inkoved, but the MaterialTable was
217 //not filled up. This can happen in a Un 235 //not filled up. This can happen in a UnitTest or via G4EmCalculator
218 if (fVerboseLevel > 0) << 236 if (verboseLevel > 0)
219 { 237 {
220 //Issue a G4Exception (warning) only in ve 238 //Issue a G4Exception (warning) only in verbose mode
221 G4ExceptionDescription ed; 239 G4ExceptionDescription ed;
222 ed << "Unable to retrieve the shell cross 240 ed << "Unable to retrieve the shell cross section table for Z=" << iZ << G4endl;
223 ed << "This can happen only in Unit Tests 241 ed << "This can happen only in Unit Tests or via G4EmCalculator" << G4endl;
224 G4Exception("G4PenelopePhotoElectricModel: 242 G4Exception("G4PenelopePhotoElectricModel::ComputeCrossSectionPerAtom()",
225 "em2038",JustWarning,ed); 243 "em2038",JustWarning,ed);
226 } 244 }
227 //protect file reading via autolock 245 //protect file reading via autolock
228 G4AutoLock lock(&PenelopePhotoElectricMo 246 G4AutoLock lock(&PenelopePhotoElectricModelMutex);
229 ReadDataFile(iZ); 247 ReadDataFile(iZ);
230 lock.unlock(); 248 lock.unlock();
>> 249
231 } 250 }
232 251
233 G4double cross = 0; 252 G4double cross = 0;
234 G4PhysicsTable* theTable = fLogAtomicShellX << 253
>> 254 G4PhysicsTable* theTable = logAtomicShellXS->find(iZ)->second;
235 G4PhysicsFreeVector* totalXSLog = (G4Physics 255 G4PhysicsFreeVector* totalXSLog = (G4PhysicsFreeVector*) (*theTable)[0];
236 256
237 if (!totalXSLog) 257 if (!totalXSLog)
238 { 258 {
239 G4Exception("G4PenelopePhotoElectricMod 259 G4Exception("G4PenelopePhotoElectricModel::ComputeCrossSectionPerAtom()",
240 "em2039",FatalException, 260 "em2039",FatalException,
241 "Unable to retrieve the total cross sec 261 "Unable to retrieve the total cross section table");
242 return 0; 262 return 0;
243 } 263 }
244 G4double logene = G4Log(energy); << 264 G4double logene = std::log(energy);
245 G4double logXS = totalXSLog->Value(logene); 265 G4double logXS = totalXSLog->Value(logene);
246 cross = G4Exp(logXS); 266 cross = G4Exp(logXS);
247 267
248 if (fVerboseLevel > 2) << 268 if (verboseLevel > 2)
249 G4cout << "Photoelectric cross section at 269 G4cout << "Photoelectric cross section at " << energy/MeV << " MeV for Z=" << Z <<
250 " = " << cross/barn << " barn" << G4endl 270 " = " << cross/barn << " barn" << G4endl;
251 return cross; 271 return cross;
252 } 272 }
253 273
254 //....oooOO0OOooo........oooOO0OOooo........oo 274 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
255 275
256 void G4PenelopePhotoElectricModel::SampleSecon 276 void G4PenelopePhotoElectricModel::SampleSecondaries(std::vector<G4DynamicParticle*>* fvect,
257 const G4MaterialCutsCouple* c 277 const G4MaterialCutsCouple* couple,
258 const G4DynamicParticle* aDyn 278 const G4DynamicParticle* aDynamicGamma,
259 G4double, 279 G4double,
260 G4double) 280 G4double)
261 { 281 {
262 // 282 //
263 // Photoelectric effect, Penelope model v200 283 // Photoelectric effect, Penelope model v2008
264 // 284 //
265 // The target atom and the target shell are 285 // The target atom and the target shell are sampled according to the Livermore
266 // database 286 // database
267 // D.E. Cullen et al., Report UCRL-50400 (1 287 // D.E. Cullen et al., Report UCRL-50400 (1989)
268 // The angular distribution of the electron 288 // The angular distribution of the electron in the final state is sampled
269 // according to the Sauter distribution from 289 // according to the Sauter distribution from
270 // F. Sauter, Ann. Phys. 11 (1931) 454 290 // F. Sauter, Ann. Phys. 11 (1931) 454
271 // The energy of the final electron is given 291 // The energy of the final electron is given by the initial photon energy minus
272 // the binding energy. Fluorescence de-excit 292 // the binding energy. Fluorescence de-excitation is subsequently produced
273 // (to fill the vacancy) according to the ge 293 // (to fill the vacancy) according to the general Geant4 G4DeexcitationManager:
274 // J. Stepanek, Comp. Phys. Comm. 1206 pp 1 294 // J. Stepanek, Comp. Phys. Comm. 1206 pp 1-1-9 (1997)
275 295
276 if (fVerboseLevel > 3) << 296 if (verboseLevel > 3)
277 G4cout << "Calling SamplingSecondaries() o 297 G4cout << "Calling SamplingSecondaries() of G4PenelopePhotoElectricModel" << G4endl;
278 298
279 G4double photonEnergy = aDynamicGamma->GetKi 299 G4double photonEnergy = aDynamicGamma->GetKineticEnergy();
280 300
281 // always kill primary 301 // always kill primary
282 fParticleChange->ProposeTrackStatus(fStopAnd 302 fParticleChange->ProposeTrackStatus(fStopAndKill);
283 fParticleChange->SetProposedKineticEnergy(0. 303 fParticleChange->SetProposedKineticEnergy(0.);
284 304
285 if (photonEnergy <= fIntrinsicLowEnergyLimit 305 if (photonEnergy <= fIntrinsicLowEnergyLimit)
286 { 306 {
287 fParticleChange->ProposeLocalEnergyDepos 307 fParticleChange->ProposeLocalEnergyDeposit(photonEnergy);
288 return ; 308 return ;
289 } 309 }
290 310
291 G4ParticleMomentum photonDirection = aDynami 311 G4ParticleMomentum photonDirection = aDynamicGamma->GetMomentumDirection();
292 312
293 // Select randomly one element in the curren 313 // Select randomly one element in the current material
294 if (fVerboseLevel > 2) << 314 if (verboseLevel > 2)
295 G4cout << "Going to select element in " << 315 G4cout << "Going to select element in " << couple->GetMaterial()->GetName() << G4endl;
296 316
297 // atom can be selected efficiently if eleme 317 // atom can be selected efficiently if element selectors are initialised
298 const G4Element* anElement = 318 const G4Element* anElement =
299 SelectRandomAtom(couple,G4Gamma::GammaDefi 319 SelectRandomAtom(couple,G4Gamma::GammaDefinition(),photonEnergy);
300 G4int Z = anElement->GetZasInt(); << 320 G4int Z = (G4int) anElement->GetZ();
301 if (fVerboseLevel > 2) << 321 if (verboseLevel > 2)
302 G4cout << "Selected " << anElement->GetNam 322 G4cout << "Selected " << anElement->GetName() << G4endl;
303 323
304 // Select the ionised shell in the current a 324 // Select the ionised shell in the current atom according to shell cross sections
305 //shellIndex = 0 --> K shell 325 //shellIndex = 0 --> K shell
306 // 1-3 --> L shells 326 // 1-3 --> L shells
307 // 4-8 --> M shells 327 // 4-8 --> M shells
308 // 9 --> outer shells cumulative 328 // 9 --> outer shells cumulatively
309 // 329 //
310 std::size_t shellIndex = SelectRandomShell(Z << 330 size_t shellIndex = SelectRandomShell(Z,photonEnergy);
311 331
312 if (fVerboseLevel > 2) << 332 if (verboseLevel > 2)
313 G4cout << "Selected shell " << shellIndex 333 G4cout << "Selected shell " << shellIndex << " of element " << anElement->GetName() << G4endl;
314 334
315 // Retrieve the corresponding identifier and 335 // Retrieve the corresponding identifier and binding energy of the selected shell
316 const G4AtomicTransitionManager* transitionM 336 const G4AtomicTransitionManager* transitionManager = G4AtomicTransitionManager::Instance();
317 337
318 //The number of shell cross section possibly 338 //The number of shell cross section possibly reported in the Penelope database
319 //might be different from the number of shel 339 //might be different from the number of shells in the G4AtomicTransitionManager
320 //(namely, Penelope may contain more shell, 340 //(namely, Penelope may contain more shell, especially for very light elements).
321 //In order to avoid a warning message from t 341 //In order to avoid a warning message from the G4AtomicTransitionManager, I
322 //add this protection. Results are anyway ch 342 //add this protection. Results are anyway changed, because when G4AtomicTransitionManager
323 //has a shellID>maxID, it sets the shellID t 343 //has a shellID>maxID, it sets the shellID to the last valid shell.
324 std::size_t numberOfShells = (std::size_t) t << 344 size_t numberOfShells = (size_t) transitionManager->NumberOfShells(Z);
325 if (shellIndex >= numberOfShells) 345 if (shellIndex >= numberOfShells)
326 shellIndex = numberOfShells-1; 346 shellIndex = numberOfShells-1;
327 347
328 const G4AtomicShell* shell = fTransitionMana 348 const G4AtomicShell* shell = fTransitionManager->Shell(Z,shellIndex);
329 G4double bindingEnergy = shell->BindingEnerg 349 G4double bindingEnergy = shell->BindingEnergy();
>> 350 //G4int shellId = shell->ShellId();
330 351
331 //Penelope considers only K, L and M shells. 352 //Penelope considers only K, L and M shells. Cross sections of outer shells are
332 //not included in the Penelope database. If 353 //not included in the Penelope database. If SelectRandomShell() returns
333 //shellIndex = 9, it means that an outer she 354 //shellIndex = 9, it means that an outer shell was ionized. In this case the
334 //Penelope recipe is to set bindingEnergy = 355 //Penelope recipe is to set bindingEnergy = 0 (the energy is entirely assigned
335 //to the electron) and to disregard fluoresc 356 //to the electron) and to disregard fluorescence.
336 if (shellIndex == 9) 357 if (shellIndex == 9)
337 bindingEnergy = 0.*eV; 358 bindingEnergy = 0.*eV;
338 359
>> 360
339 G4double localEnergyDeposit = 0.0; 361 G4double localEnergyDeposit = 0.0;
340 G4double cosTheta = 1.0; 362 G4double cosTheta = 1.0;
341 363
342 // Primary outcoming electron 364 // Primary outcoming electron
343 G4double eKineticEnergy = photonEnergy - bin 365 G4double eKineticEnergy = photonEnergy - bindingEnergy;
344 366
345 // There may be cases where the binding ener 367 // There may be cases where the binding energy of the selected shell is > photon energy
346 // In such cases do not generate secondaries 368 // In such cases do not generate secondaries
347 if (eKineticEnergy > 0.) 369 if (eKineticEnergy > 0.)
348 { 370 {
349 // The electron is created 371 // The electron is created
350 // Direction sampled from the Sauter dis 372 // Direction sampled from the Sauter distribution
351 cosTheta = SampleElectronDirection(eKine 373 cosTheta = SampleElectronDirection(eKineticEnergy);
352 G4double sinTheta = std::sqrt(1-cosTheta 374 G4double sinTheta = std::sqrt(1-cosTheta*cosTheta);
353 G4double phi = twopi * G4UniformRand() ; 375 G4double phi = twopi * G4UniformRand() ;
354 G4double dirx = sinTheta * std::cos(phi) 376 G4double dirx = sinTheta * std::cos(phi);
355 G4double diry = sinTheta * std::sin(phi) 377 G4double diry = sinTheta * std::sin(phi);
356 G4double dirz = cosTheta ; 378 G4double dirz = cosTheta ;
357 G4ThreeVector electronDirection(dirx,dir 379 G4ThreeVector electronDirection(dirx,diry,dirz); //electron direction
358 electronDirection.rotateUz(photonDirecti 380 electronDirection.rotateUz(photonDirection);
359 G4DynamicParticle* electron = new G4Dyna 381 G4DynamicParticle* electron = new G4DynamicParticle (G4Electron::Electron(),
360 electronDirection, 382 electronDirection,
361 eKineticEnergy); 383 eKineticEnergy);
362 fvect->push_back(electron); 384 fvect->push_back(electron);
363 } 385 }
364 else 386 else
365 bindingEnergy = photonEnergy; 387 bindingEnergy = photonEnergy;
366 388
>> 389
367 G4double energyInFluorescence = 0; //testing 390 G4double energyInFluorescence = 0; //testing purposes
368 G4double energyInAuger = 0; //testing purpos 391 G4double energyInAuger = 0; //testing purposes
369 392
370 //Now, take care of fluorescence, if require 393 //Now, take care of fluorescence, if required. According to the Penelope
371 //recipe, I have to skip fluoresence complet 394 //recipe, I have to skip fluoresence completely if shellIndex == 9
372 //(= sampling of a shell outer than K,L,M) 395 //(= sampling of a shell outer than K,L,M)
373 if (fAtomDeexcitation && shellIndex<9) 396 if (fAtomDeexcitation && shellIndex<9)
374 { 397 {
375 G4int index = couple->GetIndex(); 398 G4int index = couple->GetIndex();
376 if (fAtomDeexcitation->CheckDeexcitation 399 if (fAtomDeexcitation->CheckDeexcitationActiveRegion(index))
377 { 400 {
378 std::size_t nBefore = fvect->size(); << 401 size_t nBefore = fvect->size();
379 fAtomDeexcitation->GenerateParticles(fvect 402 fAtomDeexcitation->GenerateParticles(fvect,shell,Z,index);
380 std::size_t nAfter = fvect->size(); << 403 size_t nAfter = fvect->size();
381 404
382 if (nAfter > nBefore) //actual production 405 if (nAfter > nBefore) //actual production of fluorescence
383 { 406 {
384 for (std::size_t j=nBefore;j<nAfter;++ << 407 for (size_t j=nBefore;j<nAfter;j++) //loop on products
385 { 408 {
386 G4double itsEnergy = ((*fvect)[j])->GetK 409 G4double itsEnergy = ((*fvect)[j])->GetKineticEnergy();
387 if (itsEnergy < bindingEnergy) // valid << 410 bindingEnergy -= itsEnergy;
388 { << 411 if (((*fvect)[j])->GetParticleDefinition() == G4Gamma::Definition())
389 bindingEnergy -= itsEnergy; << 412 energyInFluorescence += itsEnergy;
390 if (((*fvect)[j])->GetParticleDefini << 413 else if (((*fvect)[j])->GetParticleDefinition() == G4Electron::Definition())
391 energyInFluorescence += itsEnergy; << 414 energyInAuger += itsEnergy;
392 else if (((*fvect)[j])->GetParticleD <<
393 energyInAuger += itsEnergy; <<
394 } <<
395 else //invalid secondary: takes more tha <<
396 { <<
397 delete (*fvect)[j]; <<
398 (*fvect)[j] = nullptr; <<
399 } <<
400 } 415 }
401 } 416 }
402 } 417 }
403 } 418 }
404 419
405 //Residual energy is deposited locally 420 //Residual energy is deposited locally
406 localEnergyDeposit += bindingEnergy; 421 localEnergyDeposit += bindingEnergy;
407 422
408 if (localEnergyDeposit < 0) //Should not be: << 423 if (localEnergyDeposit < 0)
409 { 424 {
410 G4Exception("G4PenelopePhotoElectricMode << 425 G4cout << "WARNING - "
411 "em2099",JustWarning,"WARNING: Negative << 426 << "G4PenelopePhotoElectricModel::SampleSecondaries() - Negative energy deposit"
>> 427 << G4endl;
412 localEnergyDeposit = 0; 428 localEnergyDeposit = 0;
413 } 429 }
414 430
415 fParticleChange->ProposeLocalEnergyDeposit(l 431 fParticleChange->ProposeLocalEnergyDeposit(localEnergyDeposit);
416 432
417 if (fVerboseLevel > 1) << 433 if (verboseLevel > 1)
418 { 434 {
419 G4cout << "----------------------------- 435 G4cout << "-----------------------------------------------------------" << G4endl;
420 G4cout << "Energy balance from G4Penelop 436 G4cout << "Energy balance from G4PenelopePhotoElectric" << G4endl;
421 G4cout << "Selected shell: " << WriteTar 437 G4cout << "Selected shell: " << WriteTargetShell(shellIndex) << " of element " <<
422 anElement->GetName() << G4endl; 438 anElement->GetName() << G4endl;
423 G4cout << "Incoming photon energy: " << 439 G4cout << "Incoming photon energy: " << photonEnergy/keV << " keV" << G4endl;
424 G4cout << "----------------------------- 440 G4cout << "-----------------------------------------------------------" << G4endl;
425 if (eKineticEnergy) 441 if (eKineticEnergy)
426 G4cout << "Outgoing electron " << eKineticEn 442 G4cout << "Outgoing electron " << eKineticEnergy/keV << " keV" << G4endl;
427 if (energyInFluorescence) 443 if (energyInFluorescence)
428 G4cout << "Fluorescence x-rays: " << energyI 444 G4cout << "Fluorescence x-rays: " << energyInFluorescence/keV << " keV" << G4endl;
429 if (energyInAuger) 445 if (energyInAuger)
430 G4cout << "Auger electrons: " << energyInAug 446 G4cout << "Auger electrons: " << energyInAuger/keV << " keV" << G4endl;
431 G4cout << "Local energy deposit " << loc 447 G4cout << "Local energy deposit " << localEnergyDeposit/keV << " keV" << G4endl;
432 G4cout << "Total final state: " << 448 G4cout << "Total final state: " <<
433 (eKineticEnergy+energyInFluorescence+localEn 449 (eKineticEnergy+energyInFluorescence+localEnergyDeposit+energyInAuger)/keV <<
434 " keV" << G4endl; 450 " keV" << G4endl;
435 G4cout << "----------------------------- 451 G4cout << "-----------------------------------------------------------" << G4endl;
436 } 452 }
437 if (fVerboseLevel > 0) << 453 if (verboseLevel > 0)
438 { 454 {
439 G4double energyDiff = 455 G4double energyDiff =
440 std::fabs(eKineticEnergy+energyInFluorescenc 456 std::fabs(eKineticEnergy+energyInFluorescence+localEnergyDeposit+energyInAuger-photonEnergy);
441 if (energyDiff > 0.05*keV) 457 if (energyDiff > 0.05*keV)
442 { 458 {
443 G4cout << "Warning from G4PenelopePhotoEle 459 G4cout << "Warning from G4PenelopePhotoElectric: problem with energy conservation: " <<
444 (eKineticEnergy+energyInFluorescence+loc 460 (eKineticEnergy+energyInFluorescence+localEnergyDeposit+energyInAuger)/keV
445 << " keV (final) vs. " << 461 << " keV (final) vs. " <<
446 photonEnergy/keV << " keV (initial)" << 462 photonEnergy/keV << " keV (initial)" << G4endl;
447 G4cout << "------------------------------- 463 G4cout << "-----------------------------------------------------------" << G4endl;
448 G4cout << "Energy balance from G4PenelopeP 464 G4cout << "Energy balance from G4PenelopePhotoElectric" << G4endl;
449 G4cout << "Selected shell: " << WriteTarge 465 G4cout << "Selected shell: " << WriteTargetShell(shellIndex) << " of element " <<
450 anElement->GetName() << G4endl; 466 anElement->GetName() << G4endl;
451 G4cout << "Incoming photon energy: " << ph 467 G4cout << "Incoming photon energy: " << photonEnergy/keV << " keV" << G4endl;
452 G4cout << "------------------------------- 468 G4cout << "-----------------------------------------------------------" << G4endl;
453 if (eKineticEnergy) 469 if (eKineticEnergy)
454 G4cout << "Outgoing electron " << eKinet 470 G4cout << "Outgoing electron " << eKineticEnergy/keV << " keV" << G4endl;
455 if (energyInFluorescence) 471 if (energyInFluorescence)
456 G4cout << "Fluorescence x-rays: " << ene 472 G4cout << "Fluorescence x-rays: " << energyInFluorescence/keV << " keV" << G4endl;
457 if (energyInAuger) 473 if (energyInAuger)
458 G4cout << "Auger electrons: " << energyI 474 G4cout << "Auger electrons: " << energyInAuger/keV << " keV" << G4endl;
459 G4cout << "Local energy deposit " << local 475 G4cout << "Local energy deposit " << localEnergyDeposit/keV << " keV" << G4endl;
460 G4cout << "Total final state: " << 476 G4cout << "Total final state: " <<
461 (eKineticEnergy+energyInFluorescence+loc 477 (eKineticEnergy+energyInFluorescence+localEnergyDeposit+energyInAuger)/keV <<
462 " keV" << G4endl; 478 " keV" << G4endl;
463 G4cout << "------------------------------- 479 G4cout << "-----------------------------------------------------------" << G4endl;
464 } 480 }
465 } 481 }
466 } 482 }
467 483
468 //....oooOO0OOooo........oooOO0OOooo........oo 484 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
469 485
470 G4double G4PenelopePhotoElectricModel::SampleE 486 G4double G4PenelopePhotoElectricModel::SampleElectronDirection(G4double energy)
471 { 487 {
472 G4double costheta = 1.0; 488 G4double costheta = 1.0;
473 if (energy>1*GeV) return costheta; 489 if (energy>1*GeV) return costheta;
474 490
475 //1) initialize energy-dependent variables 491 //1) initialize energy-dependent variables
476 // Variable naming according to Eq. (2.24) o 492 // Variable naming according to Eq. (2.24) of Penelope Manual
477 // (pag. 44) 493 // (pag. 44)
478 G4double gamma = 1.0 + energy/electron_mass_ 494 G4double gamma = 1.0 + energy/electron_mass_c2;
479 G4double gamma2 = gamma*gamma; 495 G4double gamma2 = gamma*gamma;
480 G4double beta = std::sqrt((gamma2-1.0)/gamma 496 G4double beta = std::sqrt((gamma2-1.0)/gamma2);
481 497
482 // ac corresponds to "A" of Eq. (2.31) 498 // ac corresponds to "A" of Eq. (2.31)
483 // 499 //
484 G4double ac = (1.0/beta) - 1.0; 500 G4double ac = (1.0/beta) - 1.0;
485 G4double a1 = 0.5*beta*gamma*(gamma-1.0)*(ga 501 G4double a1 = 0.5*beta*gamma*(gamma-1.0)*(gamma-2.0);
486 G4double a2 = ac + 2.0; 502 G4double a2 = ac + 2.0;
487 G4double gtmax = 2.0*(a1 + 1.0/ac); 503 G4double gtmax = 2.0*(a1 + 1.0/ac);
488 504
489 G4double tsam = 0; 505 G4double tsam = 0;
490 G4double gtr = 0; 506 G4double gtr = 0;
491 507
492 //2) sampling. Eq. (2.31) of Penelope Manual 508 //2) sampling. Eq. (2.31) of Penelope Manual
493 // tsam = 1-std::cos(theta) 509 // tsam = 1-std::cos(theta)
494 // gtr = rejection function according to Eq. 510 // gtr = rejection function according to Eq. (2.28)
495 do{ 511 do{
496 G4double rand = G4UniformRand(); 512 G4double rand = G4UniformRand();
497 tsam = 2.0*ac * (2.0*rand + a2*std::sqrt(r 513 tsam = 2.0*ac * (2.0*rand + a2*std::sqrt(rand)) / (a2*a2 - 4.0*rand);
498 gtr = (2.0 - tsam) * (a1 + 1.0/(ac+tsam)); 514 gtr = (2.0 - tsam) * (a1 + 1.0/(ac+tsam));
499 }while(G4UniformRand()*gtmax > gtr); 515 }while(G4UniformRand()*gtmax > gtr);
500 costheta = 1.0-tsam; 516 costheta = 1.0-tsam;
501 517
>> 518
502 return costheta; 519 return costheta;
503 } 520 }
504 521
505 //....oooOO0OOooo........oooOO0OOooo........oo 522 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
506 523
507 void G4PenelopePhotoElectricModel::ReadDataFil 524 void G4PenelopePhotoElectricModel::ReadDataFile(G4int Z)
508 { 525 {
509 if (!IsMaster()) 526 if (!IsMaster())
510 //Should not be here! 527 //Should not be here!
511 G4Exception("G4PenelopePhotoElectricModel: 528 G4Exception("G4PenelopePhotoElectricModel::ReadDataFile()",
512 "em0100",FatalException,"Worker thread in 529 "em0100",FatalException,"Worker thread in this method");
513 530
514 if (fVerboseLevel > 2) << 531 if (verboseLevel > 2)
515 { 532 {
516 G4cout << "G4PenelopePhotoElectricModel: 533 G4cout << "G4PenelopePhotoElectricModel::ReadDataFile()" << G4endl;
517 G4cout << "Going to read PhotoElectric d 534 G4cout << "Going to read PhotoElectric data files for Z=" << Z << G4endl;
518 } 535 }
519 536
520 const char* path = G4FindDataDir("G4LEDATA << 537 char* path = getenv("G4LEDATA");
521 if(!path) << 538 if (!path)
522 { 539 {
523 G4String excep = "G4PenelopePhotoElectri 540 G4String excep = "G4PenelopePhotoElectricModel - G4LEDATA environment variable not set!";
524 G4Exception("G4PenelopePhotoElectricMode 541 G4Exception("G4PenelopePhotoElectricModel::ReadDataFile()",
525 "em0006",FatalException,excep); 542 "em0006",FatalException,excep);
526 return; 543 return;
527 } 544 }
528 545
529 /* 546 /*
530 Read the cross section file 547 Read the cross section file
531 */ 548 */
532 std::ostringstream ost; 549 std::ostringstream ost;
533 if (Z>9) 550 if (Z>9)
534 ost << path << "/penelope/photoelectric/pd 551 ost << path << "/penelope/photoelectric/pdgph" << Z << ".p08";
535 else 552 else
536 ost << path << "/penelope/photoelectric/pd 553 ost << path << "/penelope/photoelectric/pdgph0" << Z << ".p08";
537 std::ifstream file(ost.str().c_str()); 554 std::ifstream file(ost.str().c_str());
538 if (!file.is_open()) 555 if (!file.is_open())
539 { 556 {
540 G4String excep = "G4PenelopePhotoElectri 557 G4String excep = "G4PenelopePhotoElectricModel - data file " + G4String(ost.str()) + " not found!";
541 G4Exception("G4PenelopePhotoElectricMode 558 G4Exception("G4PenelopePhotoElectricModel::ReadDataFile()",
542 "em0003",FatalException,excep); 559 "em0003",FatalException,excep);
543 } 560 }
544 //I have to know in advance how many points 561 //I have to know in advance how many points are in the data list
545 //to initialize the G4PhysicsFreeVector() 562 //to initialize the G4PhysicsFreeVector()
546 std::size_t ndata=0; << 563 size_t ndata=0;
547 G4String line; 564 G4String line;
548 while( getline(file, line) ) 565 while( getline(file, line) )
549 ndata++; 566 ndata++;
550 ndata -= 1; 567 ndata -= 1;
551 //G4cout << "Found: " << ndata << " lines" < 568 //G4cout << "Found: " << ndata << " lines" << G4endl;
552 569
553 file.clear(); 570 file.clear();
554 file.close(); 571 file.close();
555 file.open(ost.str().c_str()); 572 file.open(ost.str().c_str());
556 573
557 G4int readZ =0; 574 G4int readZ =0;
558 std::size_t nShells= 0; << 575 size_t nShells= 0;
559 file >> readZ >> nShells; 576 file >> readZ >> nShells;
560 577
561 if (fVerboseLevel > 3) << 578 if (verboseLevel > 3)
562 G4cout << "Element Z=" << Z << " , nShells 579 G4cout << "Element Z=" << Z << " , nShells = " << nShells << G4endl;
563 580
564 //check the right file is opened. 581 //check the right file is opened.
565 if (readZ != Z || nShells <= 0 || nShells > 582 if (readZ != Z || nShells <= 0 || nShells > 50) //protect nShell against large values
566 { 583 {
567 G4ExceptionDescription ed; 584 G4ExceptionDescription ed;
568 ed << "Corrupted data file for Z=" << Z 585 ed << "Corrupted data file for Z=" << Z << G4endl;
569 G4Exception("G4PenelopePhotoElectricMode 586 G4Exception("G4PenelopePhotoElectricModel::ReadDataFile()",
570 "em0005",FatalException,ed); 587 "em0005",FatalException,ed);
571 return; 588 return;
572 } 589 }
573 G4PhysicsTable* thePhysicsTable = new G4Phys 590 G4PhysicsTable* thePhysicsTable = new G4PhysicsTable();
574 << 591
575 //the table has to contain nShell+1 G4Physic 592 //the table has to contain nShell+1 G4PhysicsFreeVectors,
576 //(theTable)[0] --> total cross section 593 //(theTable)[0] --> total cross section
577 //(theTable)[ishell] --> cross section for s 594 //(theTable)[ishell] --> cross section for shell (ishell-1)
578 595
579 //reserve space for the vectors 596 //reserve space for the vectors
580 //everything is log-log 597 //everything is log-log
581 for (std::size_t i=0;i<nShells+1;++i) << 598 for (size_t i=0;i<nShells+1;i++)
582 thePhysicsTable->push_back(new G4PhysicsFr 599 thePhysicsTable->push_back(new G4PhysicsFreeVector(ndata));
583 600
584 std::size_t k =0; << 601 size_t k =0;
585 for (k=0;k<ndata && !file.eof();++k) << 602 for (k=0;k<ndata && !file.eof();k++)
586 { 603 {
587 G4double energy = 0; 604 G4double energy = 0;
588 G4double aValue = 0; 605 G4double aValue = 0;
589 file >> energy ; 606 file >> energy ;
590 energy *= eV; 607 energy *= eV;
591 G4double logene = G4Log(energy); << 608 G4double logene = std::log(energy);
592 //loop on the columns 609 //loop on the columns
593 for (std::size_t i=0;i<nShells+1;++i) << 610 for (size_t i=0;i<nShells+1;i++)
594 { 611 {
595 file >> aValue; 612 file >> aValue;
596 aValue *= barn; 613 aValue *= barn;
597 G4PhysicsFreeVector* theVec = (G4PhysicsFr 614 G4PhysicsFreeVector* theVec = (G4PhysicsFreeVector*) ((*thePhysicsTable)[i]);
598 if (aValue < 1e-40*cm2) //protection again 615 if (aValue < 1e-40*cm2) //protection against log(0)
599 aValue = 1e-40*cm2; 616 aValue = 1e-40*cm2;
600 theVec->PutValue(k,logene,G4Log(aValue)); << 617 theVec->PutValue(k,logene,std::log(aValue));
601 } 618 }
602 } 619 }
603 620
604 if (fVerboseLevel > 2) << 621 if (verboseLevel > 2)
605 { 622 {
606 G4cout << "G4PenelopePhotoElectricModel: 623 G4cout << "G4PenelopePhotoElectricModel: read " << k << " points for element Z = "
607 << Z << G4endl; 624 << Z << G4endl;
608 } 625 }
609 626
610 fLogAtomicShellXS[Z] = thePhysicsTable; << 627 logAtomicShellXS->insert(std::make_pair(Z,thePhysicsTable));
611 628
612 file.close(); 629 file.close();
613 return; 630 return;
614 } 631 }
615 632
616 //....oooOO0OOooo........oooOO0OOooo........oo 633 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
617 634
618 std::size_t G4PenelopePhotoElectricModel::GetN << 635 size_t G4PenelopePhotoElectricModel::GetNumberOfShellXS(G4int Z)
619 { 636 {
620 if (!IsMaster()) 637 if (!IsMaster())
621 //Should not be here! 638 //Should not be here!
622 G4Exception("G4PenelopePhotoElectricModel: 639 G4Exception("G4PenelopePhotoElectricModel::GetNumberOfShellXS()",
623 "em0100",FatalException,"Worker thread in 640 "em0100",FatalException,"Worker thread in this method");
624 641
625 //read data files 642 //read data files
626 if (!fLogAtomicShellXS[Z]) << 643 if (!logAtomicShellXS->count(Z))
627 ReadDataFile(Z); 644 ReadDataFile(Z);
628 //now it should be ok 645 //now it should be ok
629 if (!fLogAtomicShellXS[Z]) << 646 if (!logAtomicShellXS->count(Z))
630 { 647 {
631 G4ExceptionDescription ed; 648 G4ExceptionDescription ed;
632 ed << "Cannot find shell cross section 649 ed << "Cannot find shell cross section data for Z=" << Z << G4endl;
633 G4Exception("G4PenelopePhotoElectricMod 650 G4Exception("G4PenelopePhotoElectricModel::GetNumberOfShellXS()",
634 "em2038",FatalException,ed); 651 "em2038",FatalException,ed);
635 } 652 }
636 //one vector is allocated for the _total_ cr 653 //one vector is allocated for the _total_ cross section
637 std::size_t nEntries = fLogAtomicShellXS[Z]- << 654 size_t nEntries = logAtomicShellXS->find(Z)->second->entries();
638 return (nEntries-1); 655 return (nEntries-1);
639 } 656 }
640 657
641 //....oooOO0OOooo........oooOO0OOooo........oo 658 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
642 659
643 G4double G4PenelopePhotoElectricModel::GetShel << 660 G4double G4PenelopePhotoElectricModel::GetShellCrossSection(G4int Z,size_t shellID,G4double energy)
644 { 661 {
645 //this forces also the loading of the data 662 //this forces also the loading of the data
646 std::size_t entries = GetNumberOfShellXS(Z); << 663 size_t entries = GetNumberOfShellXS(Z);
647 664
648 if (shellID >= entries) 665 if (shellID >= entries)
649 { 666 {
650 G4cout << "Element Z=" << Z << " has dat 667 G4cout << "Element Z=" << Z << " has data for " << entries << " shells only" << G4endl;
651 G4cout << "so shellID should be from 0 t 668 G4cout << "so shellID should be from 0 to " << entries-1 << G4endl;
652 return 0; 669 return 0;
653 } 670 }
654 671
655 G4PhysicsTable* theTable = fLogAtomicShellX << 672 G4PhysicsTable* theTable = logAtomicShellXS->find(Z)->second;
656 //[0] is the total XS, shellID is in the ele 673 //[0] is the total XS, shellID is in the element [shellID+1]
657 G4PhysicsFreeVector* totalXSLog = (G4Physics 674 G4PhysicsFreeVector* totalXSLog = (G4PhysicsFreeVector*) (*theTable)[shellID+1];
658 675
659 if (!totalXSLog) 676 if (!totalXSLog)
660 { 677 {
661 G4Exception("G4PenelopePhotoElectricMod 678 G4Exception("G4PenelopePhotoElectricModel::GetShellCrossSection()",
662 "em2039",FatalException, 679 "em2039",FatalException,
663 "Unable to retrieve the total cross sec 680 "Unable to retrieve the total cross section table");
664 return 0; 681 return 0;
665 } 682 }
666 G4double logene = G4Log(energy); << 683 G4double logene = std::log(energy);
667 G4double logXS = totalXSLog->Value(logene); 684 G4double logXS = totalXSLog->Value(logene);
668 G4double cross = G4Exp(logXS); 685 G4double cross = G4Exp(logXS);
669 if (cross < 2e-40*cm2) cross = 0; 686 if (cross < 2e-40*cm2) cross = 0;
670 return cross; 687 return cross;
671 } 688 }
672 689
673 //....oooOO0OOooo........oooOO0OOooo........oo 690 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
674 691
675 G4String G4PenelopePhotoElectricModel::WriteTa << 692 G4String G4PenelopePhotoElectricModel::WriteTargetShell(size_t shellID)
676 { 693 {
677 G4String theShell = "outer shell"; 694 G4String theShell = "outer shell";
678 if (shellID == 0) 695 if (shellID == 0)
679 theShell = "K"; 696 theShell = "K";
680 else if (shellID == 1) 697 else if (shellID == 1)
681 theShell = "L1"; 698 theShell = "L1";
682 else if (shellID == 2) 699 else if (shellID == 2)
683 theShell = "L2"; 700 theShell = "L2";
684 else if (shellID == 3) 701 else if (shellID == 3)
685 theShell = "L3"; 702 theShell = "L3";
686 else if (shellID == 4) 703 else if (shellID == 4)
687 theShell = "M1"; 704 theShell = "M1";
688 else if (shellID == 5) 705 else if (shellID == 5)
689 theShell = "M2"; 706 theShell = "M2";
690 else if (shellID == 6) 707 else if (shellID == 6)
691 theShell = "M3"; 708 theShell = "M3";
692 else if (shellID == 7) 709 else if (shellID == 7)
693 theShell = "M4"; 710 theShell = "M4";
694 else if (shellID == 8) 711 else if (shellID == 8)
695 theShell = "M5"; 712 theShell = "M5";
696 713
697 return theShell; 714 return theShell;
698 } 715 }
699 716
700 //....oooOO0OOooo........oooOO0OOooo........oo 717 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...
701 718
702 void G4PenelopePhotoElectricModel::SetParticle 719 void G4PenelopePhotoElectricModel::SetParticle(const G4ParticleDefinition* p)
703 { 720 {
704 if(!fParticle) { 721 if(!fParticle) {
705 fParticle = p; 722 fParticle = p;
706 } 723 }
707 } 724 }
708 725
709 //....oooOO0OOooo........oooOO0OOooo........oo 726 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...
710 727
711 std::size_t G4PenelopePhotoElectricModel::Sele << 728 size_t G4PenelopePhotoElectricModel::SelectRandomShell(G4int Z,G4double energy)
712 { 729 {
713 G4double logEnergy = G4Log(energy); << 730 G4double logEnergy = std::log(energy);
714 731
715 //Check if data have been read (it should be 732 //Check if data have been read (it should be!)
716 if (!fLogAtomicShellXS[Z]) << 733 if (!logAtomicShellXS->count(Z))
717 { 734 {
718 G4ExceptionDescription ed; 735 G4ExceptionDescription ed;
719 ed << "Cannot find shell cross section 736 ed << "Cannot find shell cross section data for Z=" << Z << G4endl;
720 G4Exception("G4PenelopePhotoElectricMod 737 G4Exception("G4PenelopePhotoElectricModel::SelectRandomShell()",
721 "em2038",FatalException,ed); 738 "em2038",FatalException,ed);
722 } 739 }
723 740
724 G4PhysicsTable* theTable = fLogAtomicShellX << 741 // size_t shellIndex = 0;
>> 742
>> 743 G4PhysicsTable* theTable = logAtomicShellXS->find(Z)->second;
725 744
726 G4double sum = 0; 745 G4double sum = 0;
>> 746
727 G4PhysicsFreeVector* totalXSLog = (G4Physics 747 G4PhysicsFreeVector* totalXSLog = (G4PhysicsFreeVector*) (*theTable)[0];
728 G4double logXS = totalXSLog->Value(logEnergy 748 G4double logXS = totalXSLog->Value(logEnergy);
729 G4double totalXS = G4Exp(logXS); 749 G4double totalXS = G4Exp(logXS);
730 750
731 //Notice: totalXS is the total cross section 751 //Notice: totalXS is the total cross section and it does *not* correspond to
732 //the sum of partialXS's, since these includ 752 //the sum of partialXS's, since these include only K, L and M shells.
733 // 753 //
734 // Therefore, here one have to consider the 754 // Therefore, here one have to consider the possibility of ionisation of
735 // an outer shell. Conventionally, it is ind 755 // an outer shell. Conventionally, it is indicated with id=10 in Penelope
736 // 756 //
737 G4double random = G4UniformRand()*totalXS; 757 G4double random = G4UniformRand()*totalXS;
738 758
739 for (std::size_t k=1;k<theTable->entries();+ << 759 for (size_t k=1;k<theTable->entries();k++)
740 { 760 {
741 //Add one shell 761 //Add one shell
742 G4PhysicsFreeVector* partialXSLog = (G4P 762 G4PhysicsFreeVector* partialXSLog = (G4PhysicsFreeVector*) (*theTable)[k];
743 G4double logXSLocal = partialXSLog->Valu 763 G4double logXSLocal = partialXSLog->Value(logEnergy);
744 G4double partialXS = G4Exp(logXSLocal); 764 G4double partialXS = G4Exp(logXSLocal);
745 sum += partialXS; 765 sum += partialXS;
746 if (random <= sum) 766 if (random <= sum)
747 return k-1; 767 return k-1;
748 } 768 }
749 //none of the shells K, L, M: return outer s 769 //none of the shells K, L, M: return outer shell
750 return 9; 770 return 9;
751 } 771 }
752 772