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>> 26 // $Id: G4PenelopeRayleighModel.cc 76220 2013-11-08 10:15:00Z gcosmo $
26 // 27 //
27 // Author: Luciano Pandola 28 // Author: Luciano Pandola
28 // 29 //
29 // History: 30 // History:
30 // -------- 31 // --------
31 // 03 Dec 2009 L Pandola First implementa 32 // 03 Dec 2009 L Pandola First implementation
32 // 25 May 2011 L.Pandola Renamed (make v2 33 // 25 May 2011 L.Pandola Renamed (make v2008 as default Penelope)
33 // 19 Sep 2013 L.Pandola Migration to MT 34 // 19 Sep 2013 L.Pandola Migration to MT
34 // 35 //
35 36
36 #include "G4PenelopeRayleighModel.hh" 37 #include "G4PenelopeRayleighModel.hh"
37 #include "G4PhysicalConstants.hh" 38 #include "G4PhysicalConstants.hh"
38 #include "G4SystemOfUnits.hh" 39 #include "G4SystemOfUnits.hh"
39 #include "G4PenelopeSamplingData.hh" 40 #include "G4PenelopeSamplingData.hh"
40 #include "G4ParticleDefinition.hh" 41 #include "G4ParticleDefinition.hh"
41 #include "G4MaterialCutsCouple.hh" 42 #include "G4MaterialCutsCouple.hh"
42 #include "G4ProductionCutsTable.hh" 43 #include "G4ProductionCutsTable.hh"
43 #include "G4DynamicParticle.hh" 44 #include "G4DynamicParticle.hh"
44 #include "G4PhysicsTable.hh" 45 #include "G4PhysicsTable.hh"
45 #include "G4ElementTable.hh" 46 #include "G4ElementTable.hh"
46 #include "G4Element.hh" 47 #include "G4Element.hh"
47 #include "G4PhysicsFreeVector.hh" 48 #include "G4PhysicsFreeVector.hh"
48 #include "G4AutoLock.hh" 49 #include "G4AutoLock.hh"
49 #include "G4Exp.hh" <<
50 50
51 //....oooOO0OOooo........oooOO0OOooo........oo <<
52 <<
53 const G4int G4PenelopeRayleighModel::fMaxZ; <<
54 G4PhysicsFreeVector* G4PenelopeRayleighModel:: <<
55 G4PhysicsFreeVector* G4PenelopeRayleighModel:: <<
56 51
57 //....oooOO0OOooo........oooOO0OOooo........oo 52 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
58 53
59 G4PenelopeRayleighModel::G4PenelopeRayleighMod 54 G4PenelopeRayleighModel::G4PenelopeRayleighModel(const G4ParticleDefinition* part,
60 const G4String& nam) 55 const G4String& nam)
61 :G4VEmModel(nam),fParticleChange(nullptr),fP << 56 :G4VEmModel(nam),fParticleChange(0),fParticle(0),isInitialised(false),
62 fLogFormFactorTable(nullptr),fPMaxTable(nul << 57 logAtomicCrossSection(0),atomicFormFactor(0),logFormFactorTable(0),
63 fIsInitialised(false),fLocalTable(false) << 58 pMaxTable(0),samplingTable(0),fLocalTable(false)
64 { 59 {
65 fIntrinsicLowEnergyLimit = 100.0*eV; 60 fIntrinsicLowEnergyLimit = 100.0*eV;
66 fIntrinsicHighEnergyLimit = 100.0*GeV; 61 fIntrinsicHighEnergyLimit = 100.0*GeV;
67 // SetLowEnergyLimit(fIntrinsicLowEnergyLim 62 // SetLowEnergyLimit(fIntrinsicLowEnergyLimit);
68 SetHighEnergyLimit(fIntrinsicHighEnergyLimit 63 SetHighEnergyLimit(fIntrinsicHighEnergyLimit);
69 64
70 if (part) 65 if (part)
71 SetParticle(part); 66 SetParticle(part);
72 67
73 // 68 //
74 fVerboseLevel= 0; << 69 verboseLevel= 0;
75 // Verbosity scale: 70 // Verbosity scale:
76 // 0 = nothing << 71 // 0 = nothing
77 // 1 = warning for energy non-conservation << 72 // 1 = warning for energy non-conservation
78 // 2 = details of energy budget 73 // 2 = details of energy budget
79 // 3 = calculation of cross sections, file o 74 // 3 = calculation of cross sections, file openings, sampling of atoms
80 // 4 = entering in methods << 75 // 4 = entering in methods
81 76
82 //build the energy grid. It is the same for 77 //build the energy grid. It is the same for all materials
83 G4double logenergy = G4Log(fIntrinsicLowEner << 78 G4double logenergy = std::log(fIntrinsicLowEnergyLimit/2.);
84 G4double logmaxenergy = G4Log(1.5*fIntrinsic << 79 G4double logmaxenergy = std::log(1.5*fIntrinsicHighEnergyLimit);
85 //finer grid below 160 keV 80 //finer grid below 160 keV
86 G4double logtransitionenergy = G4Log(160*keV << 81 G4double logtransitionenergy = std::log(160*keV);
87 G4double logfactor1 = G4Log(10.)/250.; << 82 G4double logfactor1 = std::log(10.)/250.;
88 G4double logfactor2 = logfactor1*10; 83 G4double logfactor2 = logfactor1*10;
89 fLogEnergyGridPMax.push_back(logenergy); << 84 logEnergyGridPMax.push_back(logenergy);
90 do{ 85 do{
91 if (logenergy < logtransitionenergy) 86 if (logenergy < logtransitionenergy)
92 logenergy += logfactor1; 87 logenergy += logfactor1;
93 else 88 else
94 logenergy += logfactor2; 89 logenergy += logfactor2;
95 fLogEnergyGridPMax.push_back(logenergy); << 90 logEnergyGridPMax.push_back(logenergy);
96 }while (logenergy < logmaxenergy); 91 }while (logenergy < logmaxenergy);
97 } 92 }
98 93
99 //....oooOO0OOooo........oooOO0OOooo........oo 94 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
100 95
101 G4PenelopeRayleighModel::~G4PenelopeRayleighMo 96 G4PenelopeRayleighModel::~G4PenelopeRayleighModel()
102 { 97 {
103 if (IsMaster() || fLocalTable) 98 if (IsMaster() || fLocalTable)
104 { 99 {
105 << 100 std::map <G4int,G4PhysicsFreeVector*>::iterator i;
106 for(G4int i=0; i<=fMaxZ; ++i) << 101 if (logAtomicCrossSection)
107 { 102 {
108 if(fLogAtomicCrossSection[i]) << 103 /*
109 { << 104 for (i=logAtomicCrossSection->begin();i != logAtomicCrossSection->end();i++)
110 delete fLogAtomicCrossSection[i]; << 105 if (i->second) delete i->second;
111 fLogAtomicCrossSection[i] = nullptr; << 106 */
112 } << 107 delete logAtomicCrossSection;
113 if(fAtomicFormFactor[i]) <<
114 { <<
115 delete fAtomicFormFactor[i]; <<
116 fAtomicFormFactor[i] = nullptr; <<
117 } <<
118 } 108 }
>> 109 }
>> 110 if (IsMaster())
>> 111 {
>> 112 std::map <G4int,G4PhysicsFreeVector*>::iterator i;
>> 113 if (atomicFormFactor)
>> 114 {
>> 115 /*
>> 116 for (i=atomicFormFactor->begin();i != atomicFormFactor->end();i++)
>> 117 if (i->second) delete i->second;
>> 118 */
>> 119 delete atomicFormFactor;
>> 120 }
>> 121
119 ClearTables(); 122 ClearTables();
120 } 123 }
121 } 124 }
122 125
123 //....oooOO0OOooo........oooOO0OOooo........oo 126 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
124 void G4PenelopeRayleighModel::ClearTables() 127 void G4PenelopeRayleighModel::ClearTables()
125 { 128 {
126 if (fLogFormFactorTable) << 129 if (!IsMaster())
>> 130 //Should not be here!
>> 131 G4Exception("G4PenelopeRayleighModel::ClearTables()",
>> 132 "em0100",FatalException,"Worker thread in this method");
>> 133
>> 134 std::map <const G4Material*,G4PhysicsFreeVector*>::iterator i;
>> 135
>> 136 if (logFormFactorTable)
127 { 137 {
128 for (auto& item : (*fLogFormFactorTable << 138 /*
129 if (item.second) delete item.second; << 139 for (i=logFormFactorTable->begin(); i != logFormFactorTable->end(); i++)
130 delete fLogFormFactorTable; << 140 if (i->second) delete i->second;
131 fLogFormFactorTable = nullptr; //zero e << 141 */
>> 142 delete logFormFactorTable;
>> 143 logFormFactorTable = 0; //zero explicitely
132 } 144 }
133 if (fPMaxTable) << 145
>> 146 if (pMaxTable)
134 { 147 {
135 for (auto& item : (*fPMaxTable)) << 148 /*
136 if (item.second) delete item.second; << 149 for (i=pMaxTable->begin(); i != pMaxTable->end(); i++)
137 delete fPMaxTable; << 150 if (i->second) delete i->second;
138 fPMaxTable = nullptr; //zero explicitly << 151 */
>> 152 delete pMaxTable;
>> 153 pMaxTable = 0; //zero explicitely
139 } 154 }
140 if (fSamplingTable) << 155
>> 156 std::map<const G4Material*,G4PenelopeSamplingData*>::iterator ii;
>> 157 if (samplingTable)
141 { 158 {
142 for (auto& item : (*fSamplingTable)) << 159 /*
143 if (item.second) delete item.second; << 160 for (ii=samplingTable->begin(); ii != samplingTable->end(); ii++)
144 delete fSamplingTable; << 161 if (ii->second) delete ii->second;
145 fSamplingTable = nullptr; //zero explic << 162 */
146 } << 163 delete samplingTable;
>> 164 samplingTable = 0; //zero explicitely
>> 165 }
>> 166
147 return; 167 return;
148 } 168 }
149 169
150 //....oooOO0OOooo........oooOO0OOooo........oo 170 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
151 171
152 void G4PenelopeRayleighModel::Initialise(const 172 void G4PenelopeRayleighModel::Initialise(const G4ParticleDefinition* part,
153 const G4DataVector& ) 173 const G4DataVector& )
154 { 174 {
155 if (fVerboseLevel > 3) << 175 if (verboseLevel > 3)
156 G4cout << "Calling G4PenelopeRayleighModel 176 G4cout << "Calling G4PenelopeRayleighModel::Initialise()" << G4endl;
157 177
158 SetParticle(part); 178 SetParticle(part);
159 179
160 //Only the master model creates/fills/destro 180 //Only the master model creates/fills/destroys the tables
161 if (IsMaster() && part == fParticle) << 181 if (IsMaster() && part == fParticle)
162 { 182 {
163 //clear tables depending on materials, n 183 //clear tables depending on materials, not the atomic ones
164 ClearTables(); 184 ClearTables();
>> 185
>> 186 //create new tables
>> 187 //
>> 188 // logAtomicCrossSection and atomicFormFactor are created only once,
>> 189 // since they are never cleared
>> 190 if (!logAtomicCrossSection)
>> 191 logAtomicCrossSection = new std::map<G4int,G4PhysicsFreeVector*>;
>> 192 if (!atomicFormFactor)
>> 193 atomicFormFactor = new std::map<G4int,G4PhysicsFreeVector*>;
>> 194
>> 195 if (!logFormFactorTable)
>> 196 logFormFactorTable = new std::map<const G4Material*,G4PhysicsFreeVector*>;
>> 197 if (!pMaxTable)
>> 198 pMaxTable = new std::map<const G4Material*,G4PhysicsFreeVector*>;
>> 199 if (!samplingTable)
>> 200 samplingTable = new std::map<const G4Material*,G4PenelopeSamplingData*>;
165 201
166 if (fVerboseLevel > 3) <<
167 G4cout << "Calling G4PenelopeRayleighModel:: <<
168 <<
169 //create new tables <<
170 if (!fLogFormFactorTable) <<
171 fLogFormFactorTable = new std::map<const G4M <<
172 if (!fPMaxTable) <<
173 fPMaxTable = new std::map<const G4Material*, <<
174 if (!fSamplingTable) <<
175 fSamplingTable = new std::map<const G4Materi <<
176 202
177 G4ProductionCutsTable* theCoupleTable = << 203 G4ProductionCutsTable* theCoupleTable =
178 G4ProductionCutsTable::GetProductionCutsTabl 204 G4ProductionCutsTable::GetProductionCutsTable();
179 << 205
180 for (G4int i=0;i<(G4int)theCoupleTable-> << 206 for (size_t i=0;i<theCoupleTable->GetTableSize();i++)
181 { 207 {
182 const G4Material* material = << 208 const G4Material* material =
183 theCoupleTable->GetMaterialCutsCouple(i) 209 theCoupleTable->GetMaterialCutsCouple(i)->GetMaterial();
184 const G4ElementVector* theElementVector = 210 const G4ElementVector* theElementVector = material->GetElementVector();
185 << 211
186 for (std::size_t j=0;j<material->GetNumber << 212 for (size_t j=0;j<material->GetNumberOfElements();j++)
187 { 213 {
188 G4int iZ = theElementVector->at(j)->Ge << 214 G4int iZ = (G4int) theElementVector->at(j)->GetZ();
189 //read data files only in the master 215 //read data files only in the master
190 if (!fLogAtomicCrossSection[iZ]) << 216 if (!logAtomicCrossSection->count(iZ))
191 ReadDataFile(iZ); << 217 ReadDataFile(iZ);
192 } 218 }
193 219
194 //1) If the table has not been built for t 220 //1) If the table has not been built for the material, do it!
195 if (!fLogFormFactorTable->count(material)) << 221 if (!logFormFactorTable->count(material))
196 BuildFormFactorTable(material); 222 BuildFormFactorTable(material);
197 223
198 //2) retrieve or build the sampling table 224 //2) retrieve or build the sampling table
199 if (!(fSamplingTable->count(material))) << 225 if (!(samplingTable->count(material)))
200 InitializeSamplingAlgorithm(material); 226 InitializeSamplingAlgorithm(material);
201 227
202 //3) retrieve or build the pMax data 228 //3) retrieve or build the pMax data
203 if (!fPMaxTable->count(material)) << 229 if (!pMaxTable->count(material))
204 GetPMaxTable(material); 230 GetPMaxTable(material);
205 } <<
206 231
207 if (fVerboseLevel > 1) { << 232 }
>> 233
>> 234 if (verboseLevel > 1) {
208 G4cout << "Penelope Rayleigh model v2008 is 235 G4cout << "Penelope Rayleigh model v2008 is initialized " << G4endl
209 << "Energy range: " 236 << "Energy range: "
210 << LowEnergyLimit() / keV << " keV - 237 << LowEnergyLimit() / keV << " keV - "
211 << HighEnergyLimit() / GeV << " GeV" 238 << HighEnergyLimit() / GeV << " GeV"
212 << G4endl; 239 << G4endl;
213 } 240 }
214 } 241 }
215 242
216 if(fIsInitialised) return; << 243 if(isInitialised) return;
217 fParticleChange = GetParticleChangeForGamma( 244 fParticleChange = GetParticleChangeForGamma();
218 fIsInitialised = true; << 245 isInitialised = true;
219 } 246 }
220 247
221 //....oooOO0OOooo........oooOO0OOooo........oo 248 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
222 249
223 void G4PenelopeRayleighModel::InitialiseLocal( 250 void G4PenelopeRayleighModel::InitialiseLocal(const G4ParticleDefinition* part,
224 G4VEmModel *masterModel) 251 G4VEmModel *masterModel)
225 { 252 {
226 if (fVerboseLevel > 3) << 253 if (verboseLevel > 3)
227 G4cout << "Calling G4PenelopeRayleighMode 254 G4cout << "Calling G4PenelopeRayleighModel::InitialiseLocal()" << G4endl;
>> 255
228 // 256 //
229 //Check that particle matches: one might hav << 257 //Check that particle matches: one might have multiple master models (e.g.
230 //for e+ and e-). 258 //for e+ and e-).
231 // 259 //
232 if (part == fParticle) 260 if (part == fParticle)
233 { 261 {
234 //Get the const table pointers from the 262 //Get the const table pointers from the master to the workers
235 const G4PenelopeRayleighModel* theModel << 263 const G4PenelopeRayleighModel* theModel =
236 static_cast<G4PenelopeRayleighModel*> (maste 264 static_cast<G4PenelopeRayleighModel*> (masterModel);
237 << 265
238 //Copy pointers to the data tables 266 //Copy pointers to the data tables
239 for(G4int i=0; i<=fMaxZ; ++i) << 267 logAtomicCrossSection = theModel->logAtomicCrossSection;
240 { << 268 atomicFormFactor = theModel->atomicFormFactor;
241 fLogAtomicCrossSection[i] = theModel->fLog << 269 logFormFactorTable = theModel->logFormFactorTable;
242 fAtomicFormFactor[i] = theModel->fAtomicFo << 270 pMaxTable = theModel->pMaxTable;
243 } << 271 samplingTable = theModel->samplingTable;
244 fLogFormFactorTable = theModel->fLogForm << 272
245 fPMaxTable = theModel->fPMaxTable; <<
246 fSamplingTable = theModel->fSamplingTabl <<
247 <<
248 //copy the G4DataVector with the grid 273 //copy the G4DataVector with the grid
249 fLogQSquareGrid = theModel->fLogQSquareG << 274 logQSquareGrid = theModel->logQSquareGrid;
250 << 275
251 //Same verbosity for all workers, as the 276 //Same verbosity for all workers, as the master
252 fVerboseLevel = theModel->fVerboseLevel; << 277 verboseLevel = theModel->verboseLevel;
253 } 278 }
254 279
255 return; 280 return;
256 } 281 }
257 282
258 283
259 //....oooOO0OOooo........oooOO0OOooo........oo 284 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
260 namespace { G4Mutex PenelopeRayleighModelMute 285 namespace { G4Mutex PenelopeRayleighModelMutex = G4MUTEX_INITIALIZER; }
261 G4double G4PenelopeRayleighModel::ComputeCross 286 G4double G4PenelopeRayleighModel::ComputeCrossSectionPerAtom(const G4ParticleDefinition*,
262 G4double energy, 287 G4double energy,
263 G4double Z, 288 G4double Z,
264 G4double, 289 G4double,
265 G4double, 290 G4double,
266 G4double) 291 G4double)
267 { 292 {
268 // Cross section of Rayleigh scattering in P << 293 // Cross section of Rayleigh scattering in Penelope v2008 is calculated by the EPDL97
269 // tabulation, Cuellen et al. (1997), with n << 294 // tabulation, Cuellen et al. (1997), with non-relativistic form factors from Hubbel
270 // et al. J. Phys. Chem. Ref. Data 4 (1975) 295 // et al. J. Phys. Chem. Ref. Data 4 (1975) 471; Erratum ibid. 6 (1977) 615.
271 296
272 if (fVerboseLevel > 3) << 297 if (verboseLevel > 3)
273 G4cout << "Calling CrossSectionPerAtom() o 298 G4cout << "Calling CrossSectionPerAtom() of G4PenelopeRayleighModel" << G4endl;
274 << 299
275 G4int iZ = G4int(Z); << 300 G4int iZ = (G4int) Z;
276 << 301
277 if (!fLogAtomicCrossSection[iZ]) << 302 //Either Initialize() was not called, or we are in a slave and InitializeLocal() was
>> 303 //not invoked
>> 304 if (!logAtomicCrossSection)
>> 305 {
>> 306 //create a **thread-local** version of the table. Used only for G4EmCalculator and
>> 307 //Unit Tests
>> 308 fLocalTable = true;
>> 309 logAtomicCrossSection = new std::map<G4int,G4PhysicsFreeVector*>;
>> 310 }
>> 311 //now it should be ok
>> 312 if (!logAtomicCrossSection->count(iZ))
278 { 313 {
279 //If we are here, it means that Initial << 314 //If we are here, it means that Initialize() was inkoved, but the MaterialTable was
280 //not filled up. This can happen in a U 315 //not filled up. This can happen in a UnitTest or via G4EmCalculator
281 if (fVerboseLevel > 0) << 316 G4ExceptionDescription ed;
282 { << 317 ed << "Unable to retrieve the cross section table for Z=" << iZ << G4endl;
283 //Issue a G4Exception (warning) only in ve << 318 ed << "This can happen only in Unit Tests or via G4EmCalculator" << G4endl;
284 G4ExceptionDescription ed; << 319 G4Exception("G4PenelopeRayleighModel::ComputeCrossSectionPerAtom()",
285 ed << "Unable to retrieve the cross sectio << 320 "em2040",JustWarning,ed);
286 ed << "This can happen only in Unit Tests <<
287 G4Exception("G4PenelopeRayleighModel::Comp <<
288 "em2040",JustWarning,ed); <<
289 } <<
290 //protect file reading via autolock 321 //protect file reading via autolock
291 G4AutoLock lock(&PenelopeRayleighModelM 322 G4AutoLock lock(&PenelopeRayleighModelMutex);
292 ReadDataFile(iZ); 323 ReadDataFile(iZ);
293 lock.unlock(); << 324 lock.unlock();
294 } 325 }
295 326
296 G4double cross = 0; 327 G4double cross = 0;
297 G4PhysicsFreeVector* atom = fLogAtomicCross << 328
>> 329 G4PhysicsFreeVector* atom = logAtomicCrossSection->find(iZ)->second;
298 if (!atom) 330 if (!atom)
299 { 331 {
300 G4ExceptionDescription ed; 332 G4ExceptionDescription ed;
301 ed << "Unable to find Z=" << iZ << " in 333 ed << "Unable to find Z=" << iZ << " in the atomic cross section table" << G4endl;
302 G4Exception("G4PenelopeRayleighModel::C 334 G4Exception("G4PenelopeRayleighModel::ComputeCrossSectionPerAtom()",
303 "em2041",FatalException,ed); 335 "em2041",FatalException,ed);
304 return 0; 336 return 0;
305 } 337 }
306 G4double logene = G4Log(energy); << 338 G4double logene = std::log(energy);
307 G4double logXS = atom->Value(logene); 339 G4double logXS = atom->Value(logene);
308 cross = G4Exp(logXS); << 340 cross = std::exp(logXS);
309 341
310 if (fVerboseLevel > 2) << 342 if (verboseLevel > 2)
311 { << 343 G4cout << "Rayleigh cross section at " << energy/keV << " keV for Z=" << Z <<
312 G4cout << "Rayleigh cross section at " << 344 " = " << cross/barn << " barn" << G4endl;
313 " = " << cross/barn << " barn" << G4endl; << 345 return cross;
314 } <<
315 return cross; <<
316 } 346 }
317 347
318 348
319 //....oooOO0OOooo........oooOO0OOooo........oo 349 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
320 void G4PenelopeRayleighModel::BuildFormFactorT 350 void G4PenelopeRayleighModel::BuildFormFactorTable(const G4Material* material)
321 { 351 {
322 /* << 352 if (!IsMaster())
323 1) get composition and equivalent molecula << 353 //Should not be here!
324 */ << 354 G4Exception("G4PenelopeRayleighModel::BuildFormFactorTable()",
325 std::size_t nElements = material->GetNumberO << 355 "em0100",FatalException,"Worker thread in this method");
>> 356
>> 357 /*
>> 358 1) get composition and equivalent molecular density
>> 359 */
>> 360
>> 361 G4int nElements = material->GetNumberOfElements();
326 const G4ElementVector* elementVector = mater 362 const G4ElementVector* elementVector = material->GetElementVector();
327 const G4double* fractionVector = material->G 363 const G4double* fractionVector = material->GetFractionVector();
328 364
329 std::vector<G4double> *StechiometricFactors 365 std::vector<G4double> *StechiometricFactors = new std::vector<G4double>;
330 for (std::size_t i=0;i<nElements;++i) << 366 for (G4int i=0;i<nElements;i++)
331 { 367 {
332 G4double fraction = fractionVector[i]; 368 G4double fraction = fractionVector[i];
333 G4double atomicWeigth = (*elementVector) 369 G4double atomicWeigth = (*elementVector)[i]->GetA()/(g/mole);
334 StechiometricFactors->push_back(fraction 370 StechiometricFactors->push_back(fraction/atomicWeigth);
335 } 371 }
336 //Find max 372 //Find max
337 G4double MaxStechiometricFactor = 0.; 373 G4double MaxStechiometricFactor = 0.;
338 for (std::size_t i=0;i<nElements;++i) << 374 for (G4int i=0;i<nElements;i++)
339 { 375 {
340 if ((*StechiometricFactors)[i] > MaxStec 376 if ((*StechiometricFactors)[i] > MaxStechiometricFactor)
341 MaxStechiometricFactor = (*Stechiometr 377 MaxStechiometricFactor = (*StechiometricFactors)[i];
342 } 378 }
343 if (MaxStechiometricFactor<1e-16) 379 if (MaxStechiometricFactor<1e-16)
344 { 380 {
345 G4ExceptionDescription ed; 381 G4ExceptionDescription ed;
346 ed << "Inconsistent data of atomic compo << 382 ed << "Inconsistent data of atomic composition for " <<
347 material->GetName() << G4endl; 383 material->GetName() << G4endl;
348 G4Exception("G4PenelopeRayleighModel::Bu 384 G4Exception("G4PenelopeRayleighModel::BuildFormFactorTable()",
349 "em2042",FatalException,ed); 385 "em2042",FatalException,ed);
350 } 386 }
351 //Normalize 387 //Normalize
352 for (std::size_t i=0;i<nElements;++i) << 388 for (G4int i=0;i<nElements;i++)
353 (*StechiometricFactors)[i] /= MaxStechiom 389 (*StechiometricFactors)[i] /= MaxStechiometricFactor;
354 << 390
>> 391 // Equivalent atoms per molecule
>> 392 G4double atomsPerMolecule = 0;
>> 393 for (G4int i=0;i<nElements;i++)
>> 394 atomsPerMolecule += (*StechiometricFactors)[i];
>> 395
355 /* 396 /*
356 CREATE THE FORM FACTOR TABLE 397 CREATE THE FORM FACTOR TABLE
357 */ 398 */
358 G4PhysicsFreeVector* theFFVec = new G4Physic << 399 G4PhysicsFreeVector* theFFVec = new G4PhysicsFreeVector(logQSquareGrid.size());
>> 400 theFFVec->SetSpline(true);
359 401
360 for (std::size_t k=0;k<fLogQSquareGrid.size( << 402 for (size_t k=0;k<logQSquareGrid.size();k++)
361 { 403 {
362 G4double ff2 = 0; //squared form factor 404 G4double ff2 = 0; //squared form factor
363 for (std::size_t i=0;i<nElements;++i) << 405 for (G4int i=0;i<nElements;i++)
364 { 406 {
365 G4int iZ = (*elementVector)[i]->GetZasInt( << 407 G4int iZ = (G4int) (*elementVector)[i]->GetZ();
366 G4PhysicsFreeVector* theAtomVec = fAtomicF << 408 G4PhysicsFreeVector* theAtomVec = atomicFormFactor->find(iZ)->second;
367 G4double f = (*theAtomVec)[k]; //the q-gri << 409 G4double f = (*theAtomVec)[k]; //the q-grid is always the same
368 ff2 += f*f*(*StechiometricFactors)[i]; 410 ff2 += f*f*(*StechiometricFactors)[i];
369 } 411 }
370 if (ff2) 412 if (ff2)
371 theFFVec->PutValue(k,fLogQSquareGrid[k],G4Lo << 413 theFFVec->PutValue(k,logQSquareGrid[k],std::log(ff2)); //NOTICE: THIS IS log(Q^2) vs. log(F^2)
372 } 414 }
373 theFFVec->FillSecondDerivatives(); //vector << 415 logFormFactorTable->insert(std::make_pair(material,theFFVec));
374 fLogFormFactorTable->insert(std::make_pair(m <<
375 416
376 delete StechiometricFactors; 417 delete StechiometricFactors;
>> 418
377 return; 419 return;
378 } 420 }
379 421
>> 422
380 //....oooOO0OOooo........oooOO0OOooo........oo 423 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
381 424
382 void G4PenelopeRayleighModel::SampleSecondarie 425 void G4PenelopeRayleighModel::SampleSecondaries(std::vector<G4DynamicParticle*>* ,
383 const G4MaterialCutsCouple* couple 426 const G4MaterialCutsCouple* couple,
384 const G4DynamicParticle* aDynamicG 427 const G4DynamicParticle* aDynamicGamma,
385 G4double, 428 G4double,
386 G4double) 429 G4double)
387 { 430 {
388 // Sampling of the Rayleigh final state (nam << 431 // Sampling of the Rayleigh final state (namely, scattering angle of the photon)
389 // from the Penelope2008 model. The scatteri << 432 // from the Penelope2008 model. The scattering angle is sampled from the atomic
390 // cross section dOmega/d(cosTheta) from Bor << 433 // cross section dOmega/d(cosTheta) from Born ("Atomic Phyisics", 1969), disregarding
391 // anomalous scattering effects. The Form Fa << 434 // anomalous scattering effects. The Form Factor F(Q) function which appears in the
392 // analytical cross section is retrieved via << 435 // analytical cross section is retrieved via the method GetFSquared(); atomic data
393 // are tabulated for F(Q). Form factor for c << 436 // are tabulated for F(Q). Form factor for compounds is calculated according to
394 // the additivity rule. The sampling from th << 437 // the additivity rule. The sampling from the F(Q) is made via a Rational Inverse
395 // Transform with Aliasing (RITA) algorithm; << 438 // Transform with Aliasing (RITA) algorithm; RITA parameters are calculated once
396 // for each material and managed by G4Penelo 439 // for each material and managed by G4PenelopeSamplingData objects.
397 // The sampling algorithm (rejection method) << 440 // The sampling algorithm (rejection method) has efficiency 67% at low energy, and
398 // increases with energy. For E=100 keV the << 441 // increases with energy. For E=100 keV the efficiency is 100% and 86% for
399 // hydrogen and uranium, respectively. 442 // hydrogen and uranium, respectively.
400 443
401 if (fVerboseLevel > 3) << 444 if (verboseLevel > 3)
402 G4cout << "Calling SamplingSecondaries() o 445 G4cout << "Calling SamplingSecondaries() of G4PenelopeRayleighModel" << G4endl;
403 446
404 G4double photonEnergy0 = aDynamicGamma->GetK 447 G4double photonEnergy0 = aDynamicGamma->GetKineticEnergy();
405 << 448
406 if (photonEnergy0 <= fIntrinsicLowEnergyLimi 449 if (photonEnergy0 <= fIntrinsicLowEnergyLimit)
407 { 450 {
408 fParticleChange->ProposeTrackStatus(fSto 451 fParticleChange->ProposeTrackStatus(fStopAndKill);
409 fParticleChange->SetProposedKineticEnerg 452 fParticleChange->SetProposedKineticEnergy(0.);
410 fParticleChange->ProposeLocalEnergyDepos 453 fParticleChange->ProposeLocalEnergyDeposit(photonEnergy0);
411 return ; 454 return ;
412 } 455 }
413 456
414 G4ParticleMomentum photonDirection0 = aDynam 457 G4ParticleMomentum photonDirection0 = aDynamicGamma->GetMomentumDirection();
415 << 458
416 const G4Material* theMat = couple->GetMateri 459 const G4Material* theMat = couple->GetMaterial();
417 460
>> 461
418 //1) Verify if tables are ready 462 //1) Verify if tables are ready
419 //Either Initialize() was not called, or we << 463 if (!pMaxTable || !samplingTable)
420 //not invoked << 464 {
421 if (!fPMaxTable || !fSamplingTable || !fLogF << 465 G4Exception("G4PenelopeRayleighModel::SampleSecondaries()",
422 { << 466 "em2043",FatalException,"Invalid model initialization");
423 //create a **thread-local** version of t << 467 return;
424 //Unit Tests << 468 }
425 fLocalTable = true; << 469
426 if (!fLogFormFactorTable) << 470 G4PenelopeSamplingData* theDataTable = samplingTable->find(theMat)->second;
427 fLogFormFactorTable = new std::map<const G4M << 471
428 if (!fPMaxTable) << 472
429 fPMaxTable = new std::map<const G4Material*, << 473 G4PhysicsFreeVector* thePMax = pMaxTable->find(theMat)->second;
430 if (!fSamplingTable) <<
431 fSamplingTable = new std::map<const G4Materi <<
432 } <<
433 <<
434 if (!fSamplingTable->count(theMat)) <<
435 { <<
436 //If we are here, it means that Initiali <<
437 //not filled up. This can happen in a Un <<
438 if (fVerboseLevel > 0) <<
439 { <<
440 //Issue a G4Exception (warning) only in ve <<
441 G4ExceptionDescription ed; <<
442 ed << "Unable to find the fSamplingTable d <<
443 theMat->GetName() << G4endl; <<
444 ed << "This can happen only in Unit Tests" <<
445 G4Exception("G4PenelopeRayleighModel::Samp <<
446 "em2019",JustWarning,ed); <<
447 } <<
448 const G4ElementVector* theElementVector <<
449 //protect file reading via autolock <<
450 G4AutoLock lock(&PenelopeRayleighModelMu <<
451 for (std::size_t j=0;j<theMat->GetNumber <<
452 { <<
453 G4int iZ = theElementVector->at(j)->GetZas <<
454 if (!fLogAtomicCrossSection[iZ]) <<
455 { <<
456 lock.lock(); <<
457 ReadDataFile(iZ); <<
458 lock.unlock(); <<
459 } <<
460 } <<
461 lock.lock(); <<
462 //1) If the table has not been built for <<
463 if (!fLogFormFactorTable->count(theMat)) <<
464 BuildFormFactorTable(theMat); <<
465 <<
466 //2) retrieve or build the sampling tabl <<
467 if (!(fSamplingTable->count(theMat))) <<
468 InitializeSamplingAlgorithm(theMat); <<
469 <<
470 //3) retrieve or build the pMax data <<
471 if (!fPMaxTable->count(theMat)) <<
472 GetPMaxTable(theMat); <<
473 lock.unlock(); <<
474 } <<
475 <<
476 //Ok, restart the job <<
477 G4PenelopeSamplingData* theDataTable = fSamp <<
478 G4PhysicsFreeVector* thePMax = fPMaxTable->f <<
479 474
480 G4double cosTheta = 1.0; 475 G4double cosTheta = 1.0;
481 << 476
482 //OK, ready to go! 477 //OK, ready to go!
483 G4double qmax = 2.0*photonEnergy0/electron_m 478 G4double qmax = 2.0*photonEnergy0/electron_mass_c2; //this is non-dimensional now
484 479
485 if (qmax < 1e-10) //very low momentum transf 480 if (qmax < 1e-10) //very low momentum transfer
486 { 481 {
487 G4bool loopAgain=false; 482 G4bool loopAgain=false;
488 do 483 do
489 { 484 {
490 loopAgain = false; 485 loopAgain = false;
491 cosTheta = 1.0-2.0*G4UniformRand(); 486 cosTheta = 1.0-2.0*G4UniformRand();
492 G4double G = 0.5*(1+cosTheta*cosTheta); 487 G4double G = 0.5*(1+cosTheta*cosTheta);
493 if (G4UniformRand()>G) 488 if (G4UniformRand()>G)
494 loopAgain = true; 489 loopAgain = true;
495 }while(loopAgain); 490 }while(loopAgain);
496 } 491 }
497 else //larger momentum transfer 492 else //larger momentum transfer
498 { 493 {
499 std::size_t nData = theDataTable->GetNum << 494 size_t nData = theDataTable->GetNumberOfStoredPoints();
500 G4double LastQ2inTheTable = theDataTable 495 G4double LastQ2inTheTable = theDataTable->GetX(nData-1);
501 G4double q2max = std::min(qmax*qmax,Last 496 G4double q2max = std::min(qmax*qmax,LastQ2inTheTable);
502 497
503 G4bool loopAgain = false; 498 G4bool loopAgain = false;
504 G4double MaxPValue = thePMax->Value(phot 499 G4double MaxPValue = thePMax->Value(photonEnergy0);
505 G4double xx=0; 500 G4double xx=0;
506 << 501
507 //Sampling by rejection method. The reje << 502 //Sampling by rejection method. The rejection function is
508 //G = 0.5*(1+cos^2(theta)) 503 //G = 0.5*(1+cos^2(theta))
509 // 504 //
510 do{ 505 do{
511 loopAgain = false; 506 loopAgain = false;
512 G4double RandomMax = G4UniformRand()*MaxPVal 507 G4double RandomMax = G4UniformRand()*MaxPValue;
513 xx = theDataTable->SampleValue(RandomMax); 508 xx = theDataTable->SampleValue(RandomMax);
514 //xx is a random value of q^2 in (0,q2max),s << 509 //xx is a random value of q^2 in (0,q2max),sampled according to
515 //F(Q^2) via the RITA algorithm 510 //F(Q^2) via the RITA algorithm
516 if (xx > q2max) 511 if (xx > q2max)
517 loopAgain = true; 512 loopAgain = true;
518 cosTheta = 1.0-2.0*xx/q2max; 513 cosTheta = 1.0-2.0*xx/q2max;
519 G4double G = 0.5*(1+cosTheta*cosTheta); 514 G4double G = 0.5*(1+cosTheta*cosTheta);
520 if (G4UniformRand()>G) 515 if (G4UniformRand()>G)
521 loopAgain = true; 516 loopAgain = true;
522 }while(loopAgain); 517 }while(loopAgain);
523 } 518 }
524 << 519
525 G4double sinTheta = std::sqrt(1-cosTheta*cos 520 G4double sinTheta = std::sqrt(1-cosTheta*cosTheta);
526 << 521
527 // Scattered photon angles. ( Z - axis along 522 // Scattered photon angles. ( Z - axis along the parent photon)
528 G4double phi = twopi * G4UniformRand() ; 523 G4double phi = twopi * G4UniformRand() ;
529 G4double dirX = sinTheta*std::cos(phi); 524 G4double dirX = sinTheta*std::cos(phi);
530 G4double dirY = sinTheta*std::sin(phi); 525 G4double dirY = sinTheta*std::sin(phi);
531 G4double dirZ = cosTheta; 526 G4double dirZ = cosTheta;
532 << 527
533 // Update G4VParticleChange for the scattere << 528 // Update G4VParticleChange for the scattered photon
534 G4ThreeVector photonDirection1(dirX, dirY, d 529 G4ThreeVector photonDirection1(dirX, dirY, dirZ);
535 530
536 photonDirection1.rotateUz(photonDirection0); 531 photonDirection1.rotateUz(photonDirection0);
537 fParticleChange->ProposeMomentumDirection(ph 532 fParticleChange->ProposeMomentumDirection(photonDirection1) ;
538 fParticleChange->SetProposedKineticEnergy(ph 533 fParticleChange->SetProposedKineticEnergy(photonEnergy0) ;
539 << 534
540 return; 535 return;
541 } 536 }
542 537
543 538
544 //....oooOO0OOooo........oooOO0OOooo........oo 539 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
545 540
546 void G4PenelopeRayleighModel::ReadDataFile(con 541 void G4PenelopeRayleighModel::ReadDataFile(const G4int Z)
547 { 542 {
548 if (fVerboseLevel > 2) << 543 if (!IsMaster())
>> 544 //Should not be here!
>> 545 G4Exception("G4PenelopeRayleighModel::ReadDataFile()",
>> 546 "em0100",FatalException,"Worker thread in this method");
>> 547
>> 548 if (verboseLevel > 2)
549 { 549 {
550 G4cout << "G4PenelopeRayleighModel::Read 550 G4cout << "G4PenelopeRayleighModel::ReadDataFile()" << G4endl;
551 G4cout << "Going to read Rayleigh data f 551 G4cout << "Going to read Rayleigh data files for Z=" << Z << G4endl;
552 } 552 }
553 const char* path = G4FindDataDir("G4LEDATA << 553
554 if(!path) << 554 char* path = getenv("G4LEDATA");
>> 555 if (!path)
555 { 556 {
556 G4String excep = "G4LEDATA environment v 557 G4String excep = "G4LEDATA environment variable not set!";
557 G4Exception("G4PenelopeRayleighModel::Re 558 G4Exception("G4PenelopeRayleighModel::ReadDataFile()",
558 "em0006",FatalException,excep); 559 "em0006",FatalException,excep);
559 return; 560 return;
560 } 561 }
561 562
562 /* 563 /*
563 Read first the cross section file 564 Read first the cross section file
564 */ 565 */
565 std::ostringstream ost; 566 std::ostringstream ost;
566 if (Z>9) 567 if (Z>9)
567 ost << path << "/penelope/rayleigh/pdgra" 568 ost << path << "/penelope/rayleigh/pdgra" << Z << ".p08";
568 else 569 else
569 ost << path << "/penelope/rayleigh/pdgra0" 570 ost << path << "/penelope/rayleigh/pdgra0" << Z << ".p08";
570 std::ifstream file(ost.str().c_str()); 571 std::ifstream file(ost.str().c_str());
571 if (!file.is_open()) 572 if (!file.is_open())
572 { 573 {
573 G4String excep = "Data file " + G4String 574 G4String excep = "Data file " + G4String(ost.str()) + " not found!";
574 G4Exception("G4PenelopeRayleighModel::Re 575 G4Exception("G4PenelopeRayleighModel::ReadDataFile()",
575 "em0003",FatalException,excep); 576 "em0003",FatalException,excep);
576 } 577 }
577 G4int readZ =0; 578 G4int readZ =0;
578 std::size_t nPoints= 0; << 579 size_t nPoints= 0;
579 file >> readZ >> nPoints; 580 file >> readZ >> nPoints;
580 //check the right file is opened. 581 //check the right file is opened.
581 if (readZ != Z || nPoints <= 0 || nPoints >= 582 if (readZ != Z || nPoints <= 0 || nPoints >= 5000)
582 { 583 {
583 G4ExceptionDescription ed; 584 G4ExceptionDescription ed;
584 ed << "Corrupted data file for Z=" << Z 585 ed << "Corrupted data file for Z=" << Z << G4endl;
585 G4Exception("G4PenelopeRayleighModel::Re 586 G4Exception("G4PenelopeRayleighModel::ReadDataFile()",
586 "em0005",FatalException,ed); 587 "em0005",FatalException,ed);
587 return; 588 return;
588 } << 589 }
589 << 590 G4PhysicsFreeVector* theVec = new G4PhysicsFreeVector((size_t)nPoints);
590 fLogAtomicCrossSection[Z] = new G4PhysicsFre <<
591 G4double ene=0,f1=0,f2=0,xs=0; 591 G4double ene=0,f1=0,f2=0,xs=0;
592 for (std::size_t i=0;i<nPoints;++i) << 592 for (size_t i=0;i<nPoints;i++)
593 { 593 {
594 file >> ene >> f1 >> f2 >> xs; 594 file >> ene >> f1 >> f2 >> xs;
595 //dimensional quantities 595 //dimensional quantities
596 ene *= eV; 596 ene *= eV;
597 xs *= cm2; 597 xs *= cm2;
598 fLogAtomicCrossSection[Z]->PutValue(i,G4 << 598 theVec->PutValue(i,std::log(ene),std::log(xs));
599 if (file.eof() && i != (nPoints-1)) //fi 599 if (file.eof() && i != (nPoints-1)) //file ended too early
600 { 600 {
601 G4ExceptionDescription ed ; << 601 G4ExceptionDescription ed ;
602 ed << "Corrupted data file for Z=" << Z << 602 ed << "Corrupted data file for Z=" << Z << G4endl;
603 ed << "Found less than " << nPoints << "en 603 ed << "Found less than " << nPoints << "entries " <<G4endl;
604 G4Exception("G4PenelopeRayleighModel::Read 604 G4Exception("G4PenelopeRayleighModel::ReadDataFile()",
605 "em0005",FatalException,ed); 605 "em0005",FatalException,ed);
606 } 606 }
607 } 607 }
>> 608 if (!logAtomicCrossSection)
>> 609 {
>> 610 G4Exception("G4PenelopeRayleighModel::ReadDataFile()",
>> 611 "em2044",FatalException,"Unable to allocate the atomic cross section table");
>> 612 delete theVec;
>> 613 return;
>> 614 }
>> 615 logAtomicCrossSection->insert(std::make_pair(Z,theVec));
608 file.close(); 616 file.close();
609 617
610 /* 618 /*
611 Then read the form factor file 619 Then read the form factor file
612 */ 620 */
613 std::ostringstream ost2; 621 std::ostringstream ost2;
614 if (Z>9) 622 if (Z>9)
615 ost2 << path << "/penelope/rayleigh/pdaff" 623 ost2 << path << "/penelope/rayleigh/pdaff" << Z << ".p08";
616 else 624 else
617 ost2 << path << "/penelope/rayleigh/pdaff0 625 ost2 << path << "/penelope/rayleigh/pdaff0" << Z << ".p08";
618 file.open(ost2.str().c_str()); 626 file.open(ost2.str().c_str());
619 if (!file.is_open()) 627 if (!file.is_open())
620 { 628 {
621 G4String excep = "Data file " + G4String 629 G4String excep = "Data file " + G4String(ost2.str()) + " not found!";
622 G4Exception("G4PenelopeRayleighModel::Re 630 G4Exception("G4PenelopeRayleighModel::ReadDataFile()",
623 "em0003",FatalException,excep); 631 "em0003",FatalException,excep);
624 } 632 }
625 file >> readZ >> nPoints; 633 file >> readZ >> nPoints;
626 //check the right file is opened. 634 //check the right file is opened.
627 if (readZ != Z || nPoints <= 0 || nPoints >= 635 if (readZ != Z || nPoints <= 0 || nPoints >= 5000)
628 { 636 {
629 G4ExceptionDescription ed; 637 G4ExceptionDescription ed;
630 ed << "Corrupted data file for Z=" << Z 638 ed << "Corrupted data file for Z=" << Z << G4endl;
631 G4Exception("G4PenelopeRayleighModel::Re 639 G4Exception("G4PenelopeRayleighModel::ReadDataFile()",
632 "em0005",FatalException,ed); 640 "em0005",FatalException,ed);
633 return; 641 return;
634 } << 642 }
635 fAtomicFormFactor[Z] = new G4PhysicsFreeVect << 643 G4PhysicsFreeVector* theFFVec = new G4PhysicsFreeVector((size_t)nPoints);
636 G4double q=0,ff=0,incoh=0; 644 G4double q=0,ff=0,incoh=0;
637 G4bool fillQGrid = false; 645 G4bool fillQGrid = false;
638 //fill this vector only the first time. 646 //fill this vector only the first time.
639 if (!fLogQSquareGrid.size()) << 647 if (!logQSquareGrid.size())
640 fillQGrid = true; 648 fillQGrid = true;
641 for (std::size_t i=0;i<nPoints;++i) << 649 for (size_t i=0;i<nPoints;i++)
642 { 650 {
643 file >> q >> ff >> incoh; 651 file >> q >> ff >> incoh;
644 //q and ff are dimensionless (q is in un 652 //q and ff are dimensionless (q is in units of (m_e*c)
645 fAtomicFormFactor[Z]->PutValue(i,q,ff); << 653 theFFVec->PutValue(i,q,ff);
646 if (fillQGrid) 654 if (fillQGrid)
647 { 655 {
648 fLogQSquareGrid.push_back(2.0*G4Log(q)); << 656 logQSquareGrid.push_back(2.0*std::log(q));
649 } 657 }
650 if (file.eof() && i != (nPoints-1)) //fi 658 if (file.eof() && i != (nPoints-1)) //file ended too early
651 { 659 {
652 G4ExceptionDescription ed; << 660 G4ExceptionDescription ed;
653 ed << "Corrupted data file for Z=" << Z << 661 ed << "Corrupted data file for Z=" << Z << G4endl;
654 ed << "Found less than " << nPoints << "en 662 ed << "Found less than " << nPoints << "entries " <<G4endl;
655 G4Exception("G4PenelopeRayleighModel::Read 663 G4Exception("G4PenelopeRayleighModel::ReadDataFile()",
656 "em0005",FatalException,ed); 664 "em0005",FatalException,ed);
657 } 665 }
658 } 666 }
>> 667 if (!atomicFormFactor)
>> 668 {
>> 669 G4Exception("G4PenelopeRayleighModel::ReadDataFile()",
>> 670 "em2045",FatalException,
>> 671 "Unable to allocate the atomicFormFactor data table");
>> 672 delete theFFVec;
>> 673 return;
>> 674 }
>> 675 atomicFormFactor->insert(std::make_pair(Z,theFFVec));
659 file.close(); 676 file.close();
660 return; 677 return;
661 } 678 }
662 679
663 //....oooOO0OOooo........oooOO0OOooo........oo 680 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
664 681
665 G4double G4PenelopeRayleighModel::GetFSquared( 682 G4double G4PenelopeRayleighModel::GetFSquared(const G4Material* mat, const G4double QSquared)
666 { 683 {
667 G4double f2 = 0; 684 G4double f2 = 0;
668 //Input value QSquared could be zero: protec << 685 //Input value QSquared could be zero: protect the log() below against
669 //the FPE exception 686 //the FPE exception
670 //If Q<1e-10, set Q to 1e-10 687 //If Q<1e-10, set Q to 1e-10
671 G4double logQSquared = (QSquared>1e-10) ? G4 << 688 G4double logQSquared = (QSquared>1e-10) ? std::log(QSquared) : -23.;
672 //last value of the table 689 //last value of the table
673 G4double maxlogQ2 = fLogQSquareGrid[fLogQSqu << 690 G4double maxlogQ2 = logQSquareGrid[logQSquareGrid.size()-1];
674 << 691
>> 692
675 //now it should be all right 693 //now it should be all right
676 G4PhysicsFreeVector* theVec = fLogFormFactor << 694 G4PhysicsFreeVector* theVec = logFormFactorTable->find(mat)->second;
677 695
678 if (!theVec) 696 if (!theVec)
679 { 697 {
680 G4ExceptionDescription ed; 698 G4ExceptionDescription ed;
681 ed << "Unable to retrieve F squared tabl 699 ed << "Unable to retrieve F squared table for " << mat->GetName() << G4endl;
682 G4Exception("G4PenelopeRayleighModel::Ge 700 G4Exception("G4PenelopeRayleighModel::GetFSquared()",
683 "em2046",FatalException,ed); 701 "em2046",FatalException,ed);
684 return 0; 702 return 0;
685 } 703 }
686 if (logQSquared < -20) // Q < 1e-9 704 if (logQSquared < -20) // Q < 1e-9
687 { 705 {
688 G4double logf2 = (*theVec)[0]; //first v 706 G4double logf2 = (*theVec)[0]; //first value of the table
689 f2 = G4Exp(logf2); << 707 f2 = std::exp(logf2);
690 } 708 }
691 else if (logQSquared > maxlogQ2) 709 else if (logQSquared > maxlogQ2)
692 f2 =0; 710 f2 =0;
693 else 711 else
694 { 712 {
695 //log(Q^2) vs. log(F^2) 713 //log(Q^2) vs. log(F^2)
696 G4double logf2 = theVec->Value(logQSquar 714 G4double logf2 = theVec->Value(logQSquared);
697 f2 = G4Exp(logf2); << 715 f2 = std::exp(logf2);
698 716
699 } 717 }
700 if (fVerboseLevel > 3) << 718 if (verboseLevel > 3)
701 { 719 {
702 G4cout << "G4PenelopeRayleighModel::GetF << 720 G4cout << "G4PenelopeRayleighModel::GetFSquared() in " << mat->GetName() << G4endl;
703 G4cout << "Q^2 = " << QSquared << " (un 721 G4cout << "Q^2 = " << QSquared << " (units of 1/(m_e*c); F^2 = " << f2 << G4endl;
704 } 722 }
705 return f2; 723 return f2;
706 } 724 }
707 725
708 //....oooOO0OOooo........oooOO0OOooo........oo 726 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
709 727
710 void G4PenelopeRayleighModel::InitializeSampli 728 void G4PenelopeRayleighModel::InitializeSamplingAlgorithm(const G4Material* mat)
711 { 729 {
>> 730 if (!IsMaster())
>> 731 //Should not be here!
>> 732 G4Exception("G4PenelopeRayleighModel::InitializeSamplingAlgorithm()",
>> 733 "em0100",FatalException,"Worker thread in this method");
>> 734
712 G4double q2min = 0; 735 G4double q2min = 0;
713 G4double q2max = 0; 736 G4double q2max = 0;
714 const std::size_t np = 150; //hard-coded in << 737 const size_t np = 150; //hard-coded in Penelope
715 //G4cout << "Init N= " << fLogQSquareGrid.si << 738 //G4cout << "Init N= " << logQSquareGrid.size() << G4endl;
716 for (std::size_t i=1;i<fLogQSquareGrid.size( << 739 for (size_t i=1;i<logQSquareGrid.size();i++)
717 { 740 {
718 G4double Q2 = G4Exp(fLogQSquareGrid[i]); << 741 G4double Q2 = std::exp(logQSquareGrid[i]);
719 if (GetFSquared(mat,Q2) > 1e-35) 742 if (GetFSquared(mat,Q2) > 1e-35)
720 { 743 {
721 q2max = G4Exp(fLogQSquareGrid[i-1]); << 744 q2max = std::exp(logQSquareGrid[i-1]);
722 } 745 }
723 //G4cout << "Q2= " << Q2 << " q2max= " < 746 //G4cout << "Q2= " << Q2 << " q2max= " << q2max << G4endl;
724 } 747 }
725 << 748
726 std::size_t nReducedPoints = np/4; << 749 size_t nReducedPoints = np/4;
727 750
728 //check for errors 751 //check for errors
729 if (np < 16) 752 if (np < 16)
730 { 753 {
731 G4Exception("G4PenelopeRayleighModel::In 754 G4Exception("G4PenelopeRayleighModel::InitializeSamplingAlgorithm()",
732 "em2047",FatalException, 755 "em2047",FatalException,
733 "Too few points to initialize the sampli 756 "Too few points to initialize the sampling algorithm");
734 } 757 }
735 if (q2min > (q2max-1e-10)) 758 if (q2min > (q2max-1e-10))
736 { 759 {
737 G4cout << "q2min= " << q2min << " q2max= 760 G4cout << "q2min= " << q2min << " q2max= " << q2max << G4endl;
738 G4Exception("G4PenelopeRayleighModel::In 761 G4Exception("G4PenelopeRayleighModel::InitializeSamplingAlgorithm()",
739 "em2048",FatalException, 762 "em2048",FatalException,
740 "Too narrow grid to initialize the sampl 763 "Too narrow grid to initialize the sampling algorithm");
741 } 764 }
742 765
743 //This is subroutine RITAI0 of Penelope 766 //This is subroutine RITAI0 of Penelope
744 //Create an object of type G4PenelopeRayleig 767 //Create an object of type G4PenelopeRayleighSamplingData --> store in a map::Material*
745 768
746 //temporary vectors --> Then everything is s 769 //temporary vectors --> Then everything is stored in G4PenelopeSamplingData
747 G4DataVector* x = new G4DataVector(); 770 G4DataVector* x = new G4DataVector();
748 << 771
749 /******************************************* 772 /*******************************************************************************
750 Start with a grid of NUNIF points uniforml 773 Start with a grid of NUNIF points uniformly spaced in the interval q2min,q2max
751 ******************************************** 774 ********************************************************************************/
752 std::size_t NUNIF = std::min(std::max(((std: << 775 size_t NUNIF = std::min(std::max(((size_t)8),nReducedPoints),np/2);
753 const G4int nip = 51; //hard-coded in Penelo 776 const G4int nip = 51; //hard-coded in Penelope
754 777
755 G4double dx = (q2max-q2min)/((G4double) NUNI << 778 G4double dx = (q2max-q2min)/((G4double) NUNIF-1);
756 x->push_back(q2min); << 779 x->push_back(q2min);
757 for (std::size_t i=1;i<NUNIF-1;++i) << 780 for (size_t i=1;i<NUNIF-1;i++)
758 { 781 {
759 G4double app = q2min + i*dx; 782 G4double app = q2min + i*dx;
760 x->push_back(app); //increase << 783 x->push_back(app); //increase
761 } 784 }
762 x->push_back(q2max); 785 x->push_back(q2max);
763 << 786
764 if (fVerboseLevel> 3) << 787 if (verboseLevel> 3)
765 G4cout << "Vector x has " << x->size() << 788 G4cout << "Vector x has " << x->size() << " points, while NUNIF = " << NUNIF << G4endl;
766 789
767 //Allocate temporary storage vectors 790 //Allocate temporary storage vectors
768 G4DataVector* area = new G4DataVector(); 791 G4DataVector* area = new G4DataVector();
769 G4DataVector* a = new G4DataVector(); 792 G4DataVector* a = new G4DataVector();
770 G4DataVector* b = new G4DataVector(); 793 G4DataVector* b = new G4DataVector();
771 G4DataVector* c = new G4DataVector(); 794 G4DataVector* c = new G4DataVector();
772 G4DataVector* err = new G4DataVector(); 795 G4DataVector* err = new G4DataVector();
773 796
774 for (std::size_t i=0;i<NUNIF-1;++i) //build << 797 for (size_t i=0;i<NUNIF-1;i++) //build all points but the last
775 { << 798 {
776 //Temporary vectors for this loop 799 //Temporary vectors for this loop
777 G4DataVector* pdfi = new G4DataVector(); 800 G4DataVector* pdfi = new G4DataVector();
778 G4DataVector* pdfih = new G4DataVector() 801 G4DataVector* pdfih = new G4DataVector();
779 G4DataVector* sumi = new G4DataVector(); 802 G4DataVector* sumi = new G4DataVector();
780 803
781 G4double dxi = ((*x)[i+1]-(*x)[i])/(G4do 804 G4double dxi = ((*x)[i+1]-(*x)[i])/(G4double (nip-1));
782 G4double pdfmax = 0; 805 G4double pdfmax = 0;
783 for (G4int k=0;k<nip;k++) 806 for (G4int k=0;k<nip;k++)
784 { 807 {
785 G4double xik = (*x)[i]+k*dxi; << 808 G4double xik = (*x)[i]+k*dxi;
786 G4double pdfk = std::max(GetFSquared(mat,x 809 G4double pdfk = std::max(GetFSquared(mat,xik),0.);
787 pdfi->push_back(pdfk); 810 pdfi->push_back(pdfk);
788 pdfmax = std::max(pdfmax,pdfk); << 811 pdfmax = std::max(pdfmax,pdfk);
789 if (k < (nip-1)) 812 if (k < (nip-1))
790 { 813 {
791 G4double xih = xik + 0.5*dxi; 814 G4double xih = xik + 0.5*dxi;
792 G4double pdfIK = std::max(GetFSquared( 815 G4double pdfIK = std::max(GetFSquared(mat,xih),0.);
793 pdfih->push_back(pdfIK); 816 pdfih->push_back(pdfIK);
794 pdfmax = std::max(pdfmax,pdfIK); 817 pdfmax = std::max(pdfmax,pdfIK);
795 } 818 }
796 } 819 }
797 << 820
798 //Simpson's integration 821 //Simpson's integration
799 G4double cons = dxi*0.5*(1./3.); 822 G4double cons = dxi*0.5*(1./3.);
800 sumi->push_back(0.); 823 sumi->push_back(0.);
801 for (G4int k=1;k<nip;k++) 824 for (G4int k=1;k<nip;k++)
802 { 825 {
803 G4double previous = (*sumi)[k-1]; 826 G4double previous = (*sumi)[k-1];
804 G4double next = previous + cons*((*pdfi)[k 827 G4double next = previous + cons*((*pdfi)[k-1]+4.0*(*pdfih)[k-1]+(*pdfi)[k]);
805 sumi->push_back(next); 828 sumi->push_back(next);
806 } 829 }
807 << 830
808 G4double lastIntegral = (*sumi)[sumi->si 831 G4double lastIntegral = (*sumi)[sumi->size()-1];
809 area->push_back(lastIntegral); 832 area->push_back(lastIntegral);
810 //Normalize cumulative function 833 //Normalize cumulative function
811 G4double factor = 1.0/lastIntegral; 834 G4double factor = 1.0/lastIntegral;
812 for (std::size_t k=0;k<sumi->size();++k) << 835 for (size_t k=0;k<sumi->size();k++)
813 (*sumi)[k] *= factor; 836 (*sumi)[k] *= factor;
814 << 837
815 //When the PDF vanishes at one of the in 838 //When the PDF vanishes at one of the interval end points, its value is modified
816 if ((*pdfi)[0] < 1e-35) << 839 if ((*pdfi)[0] < 1e-35)
817 (*pdfi)[0] = 1e-5*pdfmax; 840 (*pdfi)[0] = 1e-5*pdfmax;
818 if ((*pdfi)[pdfi->size()-1] < 1e-35) 841 if ((*pdfi)[pdfi->size()-1] < 1e-35)
819 (*pdfi)[pdfi->size()-1] = 1e-5*pdfmax; 842 (*pdfi)[pdfi->size()-1] = 1e-5*pdfmax;
820 843
821 G4double pli = (*pdfi)[0]*factor; 844 G4double pli = (*pdfi)[0]*factor;
822 G4double pui = (*pdfi)[pdfi->size()-1]*f 845 G4double pui = (*pdfi)[pdfi->size()-1]*factor;
823 G4double B_temp = 1.0-1.0/(pli*pui*dx*dx 846 G4double B_temp = 1.0-1.0/(pli*pui*dx*dx);
824 G4double A_temp = (1.0/(pli*dx))-1.0-B_t 847 G4double A_temp = (1.0/(pli*dx))-1.0-B_temp;
825 G4double C_temp = 1.0+A_temp+B_temp; 848 G4double C_temp = 1.0+A_temp+B_temp;
826 if (C_temp < 1e-35) 849 if (C_temp < 1e-35)
827 { 850 {
828 a->push_back(0.); 851 a->push_back(0.);
829 b->push_back(0.); 852 b->push_back(0.);
830 c->push_back(1.); << 853 c->push_back(1.);
831 } 854 }
832 else 855 else
833 { 856 {
834 a->push_back(A_temp); 857 a->push_back(A_temp);
835 b->push_back(B_temp); 858 b->push_back(B_temp);
836 c->push_back(C_temp); 859 c->push_back(C_temp);
837 } 860 }
838 861
839 //OK, now get ERR(I), the integral of th << 862 //OK, now get ERR(I), the integral of the absolute difference between the rational interpolation
840 //and the true pdf, extended over the in 863 //and the true pdf, extended over the interval (X(I),X(I+1))
841 G4int icase = 1; //loop code 864 G4int icase = 1; //loop code
842 G4bool reLoop = false; 865 G4bool reLoop = false;
843 err->push_back(0.); 866 err->push_back(0.);
844 do 867 do
845 { 868 {
846 reLoop = false; 869 reLoop = false;
847 (*err)[i] = 0.; //zero variable 870 (*err)[i] = 0.; //zero variable
848 for (G4int k=0;k<nip;k++) 871 for (G4int k=0;k<nip;k++)
849 { 872 {
850 G4double rr = (*sumi)[k]; 873 G4double rr = (*sumi)[k];
851 G4double pap = (*area)[i]*(1.0+((*a)[i 874 G4double pap = (*area)[i]*(1.0+((*a)[i]+(*b)[i]*rr)*rr)*(1.0+((*a)[i]+(*b)[i]*rr)*rr)/
852 ((1.0-(*b)[i]*rr*rr)*(*c)[i]*((*x)[i+1]-(* 875 ((1.0-(*b)[i]*rr*rr)*(*c)[i]*((*x)[i+1]-(*x)[i]));
853 if (k == 0 || k == nip-1) 876 if (k == 0 || k == nip-1)
854 (*err)[i] += 0.5*std::fabs(pap-(*pdfi)[k]) 877 (*err)[i] += 0.5*std::fabs(pap-(*pdfi)[k]);
855 else 878 else
856 (*err)[i] += std::fabs(pap-(*pdfi)[k]); 879 (*err)[i] += std::fabs(pap-(*pdfi)[k]);
857 } 880 }
858 (*err)[i] *= dxi; 881 (*err)[i] *= dxi;
859 << 882
860 //If err(I) is too large, the pdf is appro 883 //If err(I) is too large, the pdf is approximated by a uniform distribution
861 if ((*err)[i] > 0.1*(*area)[i] && icase == << 884 if ((*err)[i] > 0.1*(*area)[i] && icase == 1)
862 { 885 {
863 (*b)[i] = 0; 886 (*b)[i] = 0;
864 (*a)[i] = 0; 887 (*a)[i] = 0;
865 (*c)[i] = 1.; 888 (*c)[i] = 1.;
866 icase = 2; 889 icase = 2;
867 reLoop = true; 890 reLoop = true;
868 } 891 }
869 }while(reLoop); 892 }while(reLoop);
>> 893
870 delete pdfi; 894 delete pdfi;
871 delete pdfih; 895 delete pdfih;
872 delete sumi; 896 delete sumi;
873 } //end of first loop over i 897 } //end of first loop over i
874 898
875 //Now assign last point 899 //Now assign last point
876 (*x)[x->size()-1] = q2max; 900 (*x)[x->size()-1] = q2max;
877 a->push_back(0.); 901 a->push_back(0.);
878 b->push_back(0.); 902 b->push_back(0.);
879 c->push_back(0.); 903 c->push_back(0.);
880 err->push_back(0.); 904 err->push_back(0.);
881 area->push_back(0.); 905 area->push_back(0.);
882 906
883 if (x->size() != NUNIF || a->size() != NUNIF << 907 if (x->size() != NUNIF || a->size() != NUNIF ||
884 err->size() != NUNIF || area->size() != 908 err->size() != NUNIF || area->size() != NUNIF)
885 { 909 {
886 G4ExceptionDescription ed; 910 G4ExceptionDescription ed;
887 ed << "Problem in building the Table for 911 ed << "Problem in building the Table for Sampling: array dimensions do not match" << G4endl;
888 G4Exception("G4PenelopeRayleighModel::In 912 G4Exception("G4PenelopeRayleighModel::InitializeSamplingAlgorithm()",
889 "em2049",FatalException,ed); 913 "em2049",FatalException,ed);
890 } 914 }
891 << 915
892 /******************************************* 916 /*******************************************************************************
893 New grid points are added by halving the su 917 New grid points are added by halving the sub-intervals with the largest absolute error
894 This is done up to np=150 points in the grid 918 This is done up to np=150 points in the grid
895 ******************************************** 919 ********************************************************************************/
896 do 920 do
897 { 921 {
898 G4double maxError = 0.0; 922 G4double maxError = 0.0;
899 std::size_t iErrMax = 0; << 923 size_t iErrMax = 0;
900 for (std::size_t i=0;i<err->size()-2;++i << 924 for (size_t i=0;i<err->size()-2;i++)
901 { 925 {
902 //maxError is the lagest of the interval e 926 //maxError is the lagest of the interval errors err[i]
903 if ((*err)[i] > maxError) 927 if ((*err)[i] > maxError)
904 { 928 {
905 maxError = (*err)[i]; 929 maxError = (*err)[i];
906 iErrMax = i; 930 iErrMax = i;
907 } 931 }
908 } 932 }
909 << 933
910 //OK, now I have to insert one new point 934 //OK, now I have to insert one new point in the position iErrMax
911 G4double newx = 0.5*((*x)[iErrMax]+(*x)[ 935 G4double newx = 0.5*((*x)[iErrMax]+(*x)[iErrMax+1]);
912 << 936
913 x->insert(x->begin()+iErrMax+1,newx); 937 x->insert(x->begin()+iErrMax+1,newx);
914 //Add place-holders in the other vectors 938 //Add place-holders in the other vectors
915 area->insert(area->begin()+iErrMax+1,0.) 939 area->insert(area->begin()+iErrMax+1,0.);
916 a->insert(a->begin()+iErrMax+1,0.); 940 a->insert(a->begin()+iErrMax+1,0.);
917 b->insert(b->begin()+iErrMax+1,0.); 941 b->insert(b->begin()+iErrMax+1,0.);
918 c->insert(c->begin()+iErrMax+1,0.); 942 c->insert(c->begin()+iErrMax+1,0.);
919 err->insert(err->begin()+iErrMax+1,0.); 943 err->insert(err->begin()+iErrMax+1,0.);
920 << 944
921 //Now calculate the other parameters 945 //Now calculate the other parameters
922 for (std::size_t i=iErrMax;i<=iErrMax+1; << 946 for (size_t i=iErrMax;i<=iErrMax+1;i++)
923 { 947 {
924 //Temporary vectors for this loop 948 //Temporary vectors for this loop
925 G4DataVector* pdfi = new G4DataVector(); 949 G4DataVector* pdfi = new G4DataVector();
926 G4DataVector* pdfih = new G4DataVector(); 950 G4DataVector* pdfih = new G4DataVector();
927 G4DataVector* sumi = new G4DataVector(); 951 G4DataVector* sumi = new G4DataVector();
928 << 952
929 G4double dxLocal = (*x)[i+1]-(*x)[i]; 953 G4double dxLocal = (*x)[i+1]-(*x)[i];
930 G4double dxi = ((*x)[i+1]-(*x)[i])/(G4doub 954 G4double dxi = ((*x)[i+1]-(*x)[i])/(G4double (nip-1));
931 G4double pdfmax = 0; 955 G4double pdfmax = 0;
932 for (G4int k=0;k<nip;k++) 956 for (G4int k=0;k<nip;k++)
933 { 957 {
934 G4double xik = (*x)[i]+k*dxi; 958 G4double xik = (*x)[i]+k*dxi;
935 G4double pdfk = std::max(GetFSquared(m 959 G4double pdfk = std::max(GetFSquared(mat,xik),0.);
936 pdfi->push_back(pdfk); 960 pdfi->push_back(pdfk);
937 pdfmax = std::max(pdfmax,pdfk); << 961 pdfmax = std::max(pdfmax,pdfk);
938 if (k < (nip-1)) 962 if (k < (nip-1))
939 { 963 {
940 G4double xih = xik + 0.5*dxi; 964 G4double xih = xik + 0.5*dxi;
941 G4double pdfIK = std::max(GetFSquared(ma 965 G4double pdfIK = std::max(GetFSquared(mat,xih),0.);
942 pdfih->push_back(pdfIK); 966 pdfih->push_back(pdfIK);
943 pdfmax = std::max(pdfmax,pdfIK); 967 pdfmax = std::max(pdfmax,pdfIK);
944 } 968 }
945 } 969 }
946 << 970
947 //Simpson's integration 971 //Simpson's integration
948 G4double cons = dxi*0.5*(1./3.); 972 G4double cons = dxi*0.5*(1./3.);
949 sumi->push_back(0.); 973 sumi->push_back(0.);
950 for (G4int k=1;k<nip;k++) 974 for (G4int k=1;k<nip;k++)
951 { 975 {
952 G4double previous = (*sumi)[k-1]; 976 G4double previous = (*sumi)[k-1];
953 G4double next = previous + cons*((*pdf 977 G4double next = previous + cons*((*pdfi)[k-1]+4.0*(*pdfih)[k-1]+(*pdfi)[k]);
954 sumi->push_back(next); 978 sumi->push_back(next);
955 } 979 }
956 G4double lastIntegral = (*sumi)[sumi->size 980 G4double lastIntegral = (*sumi)[sumi->size()-1];
957 (*area)[i] = lastIntegral; 981 (*area)[i] = lastIntegral;
958 << 982
959 //Normalize cumulative function 983 //Normalize cumulative function
960 G4double factor = 1.0/lastIntegral; 984 G4double factor = 1.0/lastIntegral;
961 for (std::size_t k=0;k<sumi->size();++k) << 985 for (size_t k=0;k<sumi->size();k++)
962 (*sumi)[k] *= factor; 986 (*sumi)[k] *= factor;
963 << 987
964 //When the PDF vanishes at one of the inte 988 //When the PDF vanishes at one of the interval end points, its value is modified
965 if ((*pdfi)[0] < 1e-35) << 989 if ((*pdfi)[0] < 1e-35)
966 (*pdfi)[0] = 1e-5*pdfmax; 990 (*pdfi)[0] = 1e-5*pdfmax;
967 if ((*pdfi)[pdfi->size()-1] < 1e-35) 991 if ((*pdfi)[pdfi->size()-1] < 1e-35)
968 (*pdfi)[pdfi->size()-1] = 1e-5*pdfmax; 992 (*pdfi)[pdfi->size()-1] = 1e-5*pdfmax;
969 << 993
970 G4double pli = (*pdfi)[0]*factor; 994 G4double pli = (*pdfi)[0]*factor;
971 G4double pui = (*pdfi)[pdfi->size()-1]*fac 995 G4double pui = (*pdfi)[pdfi->size()-1]*factor;
972 G4double B_temp = 1.0-1.0/(pli*pui*dxLocal 996 G4double B_temp = 1.0-1.0/(pli*pui*dxLocal*dxLocal);
973 G4double A_temp = (1.0/(pli*dxLocal))-1.0- 997 G4double A_temp = (1.0/(pli*dxLocal))-1.0-B_temp;
974 G4double C_temp = 1.0+A_temp+B_temp; 998 G4double C_temp = 1.0+A_temp+B_temp;
975 if (C_temp < 1e-35) 999 if (C_temp < 1e-35)
976 { 1000 {
977 (*a)[i]= 0.; 1001 (*a)[i]= 0.;
978 (*b)[i] = 0.; 1002 (*b)[i] = 0.;
979 (*c)[i] = 1; 1003 (*c)[i] = 1;
980 } 1004 }
981 else 1005 else
982 { 1006 {
983 (*a)[i]= A_temp; 1007 (*a)[i]= A_temp;
984 (*b)[i] = B_temp; 1008 (*b)[i] = B_temp;
985 (*c)[i] = C_temp; 1009 (*c)[i] = C_temp;
986 } 1010 }
987 //OK, now get ERR(I), the integral of the << 1011 //OK, now get ERR(I), the integral of the absolute difference between the rational interpolation
988 //and the true pdf, extended over the inte 1012 //and the true pdf, extended over the interval (X(I),X(I+1))
989 G4int icase = 1; //loop code 1013 G4int icase = 1; //loop code
990 G4bool reLoop = false; 1014 G4bool reLoop = false;
991 do 1015 do
992 { 1016 {
993 reLoop = false; 1017 reLoop = false;
994 (*err)[i] = 0.; //zero variable 1018 (*err)[i] = 0.; //zero variable
995 for (G4int k=0;k<nip;k++) 1019 for (G4int k=0;k<nip;k++)
996 { 1020 {
997 G4double rr = (*sumi)[k]; << 1021 G4double rr = (*sumi)[k];
998 G4double pap = (*area)[i]*(1.0+((*a)[i]+ 1022 G4double pap = (*area)[i]*(1.0+((*a)[i]+(*b)[i]*rr)*rr)*(1.0+((*a)[i]+(*b)[i]*rr)*rr)/
999 ((1.0-(*b)[i]*rr*rr)*(*c)[i]*((*x)[i+1 1023 ((1.0-(*b)[i]*rr*rr)*(*c)[i]*((*x)[i+1]-(*x)[i]));
1000 if (k == 0 || k == nip-1) 1024 if (k == 0 || k == nip-1)
1001 (*err)[i] += 0.5*std::fabs(pap-(*pdfi 1025 (*err)[i] += 0.5*std::fabs(pap-(*pdfi)[k]);
1002 else 1026 else
1003 (*err)[i] += std::fabs(pap-(*pdfi)[k] 1027 (*err)[i] += std::fabs(pap-(*pdfi)[k]);
1004 } 1028 }
1005 (*err)[i] *= dxi; 1029 (*err)[i] *= dxi;
1006 << 1030
1007 //If err(I) is too large, the pdf is 1031 //If err(I) is too large, the pdf is approximated by a uniform distribution
1008 if ((*err)[i] > 0.1*(*area)[i] && ica << 1032 if ((*err)[i] > 0.1*(*area)[i] && icase == 1)
1009 { 1033 {
1010 (*b)[i] = 0; 1034 (*b)[i] = 0;
1011 (*a)[i] = 0; 1035 (*a)[i] = 0;
1012 (*c)[i] = 1.; 1036 (*c)[i] = 1.;
1013 icase = 2; 1037 icase = 2;
1014 reLoop = true; 1038 reLoop = true;
1015 } 1039 }
1016 }while(reLoop); 1040 }while(reLoop);
1017 delete pdfi; 1041 delete pdfi;
1018 delete pdfih; 1042 delete pdfih;
1019 delete sumi; 1043 delete sumi;
1020 } 1044 }
1021 }while(x->size() < np); 1045 }while(x->size() < np);
1022 1046
1023 if (x->size() != np || a->size() != np || << 1047 if (x->size() != np || a->size() != np ||
1024 err->size() != np || area->size() != np 1048 err->size() != np || area->size() != np)
1025 { 1049 {
1026 G4Exception("G4PenelopeRayleighModel::I 1050 G4Exception("G4PenelopeRayleighModel::InitializeSamplingAlgorithm()",
1027 "em2050",FatalException, 1051 "em2050",FatalException,
1028 "Problem in building the extended Table 1052 "Problem in building the extended Table for Sampling: array dimensions do not match ");
1029 } 1053 }
1030 1054
1031 /****************************************** 1055 /*******************************************************************************
1032 Renormalization 1056 Renormalization
1033 ******************************************* 1057 ********************************************************************************/
1034 G4double ws = 0; 1058 G4double ws = 0;
1035 for (std::size_t i=0;i<np-1;++i) << 1059 for (size_t i=0;i<np-1;i++)
1036 ws += (*area)[i]; 1060 ws += (*area)[i];
1037 ws = 1.0/ws; 1061 ws = 1.0/ws;
1038 G4double errMax = 0; 1062 G4double errMax = 0;
1039 for (std::size_t i=0;i<np-1;++i) << 1063 for (size_t i=0;i<np-1;i++)
1040 { 1064 {
1041 (*area)[i] *= ws; 1065 (*area)[i] *= ws;
1042 (*err)[i] *= ws; 1066 (*err)[i] *= ws;
1043 errMax = std::max(errMax,(*err)[i]); 1067 errMax = std::max(errMax,(*err)[i]);
1044 } 1068 }
1045 1069
1046 //Vector with the normalized cumulative dis 1070 //Vector with the normalized cumulative distribution
1047 G4DataVector* PAC = new G4DataVector(); 1071 G4DataVector* PAC = new G4DataVector();
1048 PAC->push_back(0.); 1072 PAC->push_back(0.);
1049 for (std::size_t i=0;i<np-1;++i) << 1073 for (size_t i=0;i<np-1;i++)
1050 { 1074 {
1051 G4double previous = (*PAC)[i]; 1075 G4double previous = (*PAC)[i];
1052 PAC->push_back(previous+(*area)[i]); 1076 PAC->push_back(previous+(*area)[i]);
1053 } 1077 }
1054 (*PAC)[PAC->size()-1] = 1.; 1078 (*PAC)[PAC->size()-1] = 1.;
1055 << 1079
1056 /****************************************** 1080 /*******************************************************************************
1057 Pre-calculated limits for the initial binar 1081 Pre-calculated limits for the initial binary search for subsequent sampling
1058 ******************************************* 1082 ********************************************************************************/
1059 std::vector<std::size_t> *ITTL = new std::v << 1083
1060 std::vector<std::size_t> *ITTU = new std::v << 1084 //G4DataVector* ITTL = new G4DataVector();
>> 1085 std::vector<size_t> *ITTL = new std::vector<size_t>;
>> 1086 std::vector<size_t> *ITTU = new std::vector<size_t>;
1061 1087
1062 //Just create place-holders 1088 //Just create place-holders
1063 for (std::size_t i=0;i<np;++i) << 1089 for (size_t i=0;i<np;i++)
1064 { 1090 {
1065 ITTL->push_back(0); 1091 ITTL->push_back(0);
1066 ITTU->push_back(0); 1092 ITTU->push_back(0);
1067 } 1093 }
1068 1094
1069 G4double bin = 1.0/(np-1); 1095 G4double bin = 1.0/(np-1);
1070 (*ITTL)[0]=0; 1096 (*ITTL)[0]=0;
1071 for (std::size_t i=1;i<(np-1);++i) << 1097 for (size_t i=1;i<(np-1);i++)
1072 { 1098 {
1073 G4double ptst = i*bin; << 1099 G4double ptst = i*bin;
1074 G4bool found = false; 1100 G4bool found = false;
1075 for (std::size_t j=(*ITTL)[i-1];j<np && << 1101 for (size_t j=(*ITTL)[i-1];j<np && !found;j++)
1076 { 1102 {
1077 if ((*PAC)[j] > ptst) 1103 if ((*PAC)[j] > ptst)
1078 { 1104 {
1079 (*ITTL)[i] = j-1; 1105 (*ITTL)[i] = j-1;
1080 (*ITTU)[i-1] = j; 1106 (*ITTU)[i-1] = j;
1081 found = true; 1107 found = true;
1082 } 1108 }
1083 } 1109 }
1084 } 1110 }
1085 (*ITTU)[ITTU->size()-2] = ITTU->size()-1; 1111 (*ITTU)[ITTU->size()-2] = ITTU->size()-1;
1086 (*ITTU)[ITTU->size()-1] = ITTU->size()-1; 1112 (*ITTU)[ITTU->size()-1] = ITTU->size()-1;
1087 (*ITTL)[ITTL->size()-1] = ITTU->size()-2; 1113 (*ITTL)[ITTL->size()-1] = ITTU->size()-2;
1088 1114
1089 if (ITTU->size() != np || ITTU->size() != n 1115 if (ITTU->size() != np || ITTU->size() != np)
1090 { 1116 {
1091 G4Exception("G4PenelopeRayleighModel::I 1117 G4Exception("G4PenelopeRayleighModel::InitializeSamplingAlgorithm()",
1092 "em2051",FatalException, 1118 "em2051",FatalException,
1093 "Problem in building the Limit Tables f 1119 "Problem in building the Limit Tables for Sampling: array dimensions do not match");
1094 } 1120 }
1095 1121
>> 1122
1096 /****************************************** 1123 /********************************************************************************
1097 Copy tables 1124 Copy tables
1098 ******************************************* 1125 ********************************************************************************/
1099 G4PenelopeSamplingData* theTable = new G4Pe 1126 G4PenelopeSamplingData* theTable = new G4PenelopeSamplingData(np);
1100 for (std::size_t i=0;i<np;++i) << 1127 for (size_t i=0;i<np;i++)
1101 { 1128 {
1102 theTable->AddPoint((*x)[i],(*PAC)[i],(* 1129 theTable->AddPoint((*x)[i],(*PAC)[i],(*a)[i],(*b)[i],(*ITTL)[i],(*ITTU)[i]);
1103 } 1130 }
1104 1131
1105 if (fVerboseLevel > 2) << 1132 if (verboseLevel > 2)
1106 { 1133 {
1107 G4cout << "**************************** << 1134 G4cout << "*************************************************************************" <<
1108 G4endl; 1135 G4endl;
1109 G4cout << "Sampling table for Penelope 1136 G4cout << "Sampling table for Penelope Rayleigh scattering in " << mat->GetName() << G4endl;
1110 theTable->DumpTable(); 1137 theTable->DumpTable();
1111 } << 1138 }
1112 fSamplingTable->insert(std::make_pair(mat,t << 1139 samplingTable->insert(std::make_pair(mat,theTable));
1113 1140
>> 1141
1114 //Clean up temporary vectors 1142 //Clean up temporary vectors
1115 delete x; 1143 delete x;
1116 delete a; 1144 delete a;
1117 delete b; 1145 delete b;
1118 delete c; 1146 delete c;
1119 delete err; 1147 delete err;
1120 delete area; 1148 delete area;
1121 delete PAC; 1149 delete PAC;
1122 delete ITTL; 1150 delete ITTL;
1123 delete ITTU; 1151 delete ITTU;
1124 1152
1125 //DONE! 1153 //DONE!
1126 return; 1154 return;
>> 1155
1127 } 1156 }
1128 1157
1129 //....oooOO0OOooo........oooOO0OOooo........o 1158 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
1130 1159
1131 void G4PenelopeRayleighModel::GetPMaxTable(co 1160 void G4PenelopeRayleighModel::GetPMaxTable(const G4Material* mat)
1132 { 1161 {
1133 if (!fPMaxTable) << 1162 if (!IsMaster())
>> 1163 //Should not be here!
>> 1164 G4Exception("G4PenelopeRayleighModel::GetPMaxTable()",
>> 1165 "em0100",FatalException,"Worker thread in this method");
>> 1166
>> 1167 if (!pMaxTable)
1134 { 1168 {
1135 G4cout << "G4PenelopeRayleighModel::Bui 1169 G4cout << "G4PenelopeRayleighModel::BuildPMaxTable" << G4endl;
1136 G4cout << "Going to instanziate the fPM << 1170 G4cout << "Going to instanziate the pMaxTable !" << G4endl;
1137 G4cout << "That should _not_ be here! " 1171 G4cout << "That should _not_ be here! " << G4endl;
1138 fPMaxTable = new std::map<const G4Mater << 1172 pMaxTable = new std::map<const G4Material*,G4PhysicsFreeVector*>;
1139 } 1173 }
1140 //check if the table is already there 1174 //check if the table is already there
1141 if (fPMaxTable->count(mat)) << 1175 if (pMaxTable->count(mat))
1142 return; 1176 return;
1143 1177
1144 //otherwise build it 1178 //otherwise build it
1145 if (!fSamplingTable) << 1179 if (!samplingTable)
1146 { 1180 {
1147 G4Exception("G4PenelopeRayleighModel::G 1181 G4Exception("G4PenelopeRayleighModel::GetPMaxTable()",
1148 "em2052",FatalException, 1182 "em2052",FatalException,
1149 "SamplingTable is not properly instanti 1183 "SamplingTable is not properly instantiated");
1150 return; 1184 return;
1151 } 1185 }
1152 1186
1153 //This should not be: the sampling table is << 1187 if (!samplingTable->count(mat))
1154 if (!fSamplingTable->count(mat)) << 1188 InitializeSamplingAlgorithm(mat);
1155 { << 1189
1156 G4ExceptionDescription ed; << 1190 G4PenelopeSamplingData *theTable = samplingTable->find(mat)->second;
1157 ed << "Sampling table for material " < << 1191 size_t tablePoints = theTable->GetNumberOfStoredPoints();
1158 G4Exception("G4PenelopeRayleighModel:: <<
1159 "em2052",FatalException, <<
1160 ed); <<
1161 return; <<
1162 } <<
1163 <<
1164 G4PenelopeSamplingData *theTable = fSamplin <<
1165 std::size_t tablePoints = theTable->GetNumb <<
1166 1192
1167 std::size_t nOfEnergyPoints = fLogEnergyGri << 1193 size_t nOfEnergyPoints = logEnergyGridPMax.size();
1168 G4PhysicsFreeVector* theVec = new G4Physics 1194 G4PhysicsFreeVector* theVec = new G4PhysicsFreeVector(nOfEnergyPoints);
1169 1195
1170 const std::size_t nip = 51; //hard-coded in << 1196 const size_t nip = 51; //hard-coded in Penelope
1171 1197
1172 for (std::size_t ie=0;ie<fLogEnergyGridPMax << 1198 for (size_t ie=0;ie<logEnergyGridPMax.size();ie++)
1173 { 1199 {
1174 G4double energy = G4Exp(fLogEnergyGridP << 1200 G4double energy = std::exp(logEnergyGridPMax[ie]);
1175 G4double Qm = 2.0*energy/electron_mass_ 1201 G4double Qm = 2.0*energy/electron_mass_c2; //this is non-dimensional now
1176 G4double Qm2 = Qm*Qm; 1202 G4double Qm2 = Qm*Qm;
1177 G4double firstQ2 = theTable->GetX(0); 1203 G4double firstQ2 = theTable->GetX(0);
1178 G4double lastQ2 = theTable->GetX(tableP 1204 G4double lastQ2 = theTable->GetX(tablePoints-1);
1179 G4double thePMax = 0; 1205 G4double thePMax = 0;
1180 << 1206
1181 if (Qm2 > firstQ2) 1207 if (Qm2 > firstQ2)
1182 { 1208 {
1183 if (Qm2 < lastQ2) 1209 if (Qm2 < lastQ2)
1184 { 1210 {
1185 //bisection to look for the index of 1211 //bisection to look for the index of Qm
1186 std::size_t lowerBound = 0; << 1212 size_t lowerBound = 0;
1187 std::size_t upperBound = tablePoints- << 1213 size_t upperBound = tablePoints-1;
1188 while (lowerBound <= upperBound) 1214 while (lowerBound <= upperBound)
1189 { 1215 {
1190 std::size_t midBin = (lowerBound + uppe << 1216 size_t midBin = (lowerBound + upperBound)/2;
1191 if( Qm2 < theTable->GetX(midBin)) 1217 if( Qm2 < theTable->GetX(midBin))
1192 { upperBound = midBin-1; } 1218 { upperBound = midBin-1; }
1193 else 1219 else
1194 { lowerBound = midBin+1; } 1220 { lowerBound = midBin+1; }
1195 } 1221 }
1196 //upperBound is the output (but also 1222 //upperBound is the output (but also lowerBounf --> should be the same!)
1197 G4double Q1 = theTable->GetX(upperBou 1223 G4double Q1 = theTable->GetX(upperBound);
1198 G4double Q2 = Qm2; 1224 G4double Q2 = Qm2;
1199 G4double DQ = (Q2-Q1)/((G4double)(nip 1225 G4double DQ = (Q2-Q1)/((G4double)(nip-1));
1200 G4double theA = theTable->GetA(upperB 1226 G4double theA = theTable->GetA(upperBound);
1201 G4double theB = theTable->GetB(upperB 1227 G4double theB = theTable->GetB(upperBound);
1202 G4double thePAC = theTable->GetPAC(up 1228 G4double thePAC = theTable->GetPAC(upperBound);
1203 G4DataVector* fun = new G4DataVector( 1229 G4DataVector* fun = new G4DataVector();
1204 for (std::size_t k=0;k<nip;++k) << 1230 for (size_t k=0;k<nip;k++)
1205 { 1231 {
1206 G4double qi = Q1 + k*DQ; 1232 G4double qi = Q1 + k*DQ;
1207 G4double tau = (qi-Q1)/ 1233 G4double tau = (qi-Q1)/
1208 (theTable->GetX(upperBound+1)-Q1); 1234 (theTable->GetX(upperBound+1)-Q1);
1209 G4double con1 = 2.0*theB*tau; << 1235 G4double con1 = 2.0*theB*tau;
1210 G4double ci = 1.0+theA+theB; 1236 G4double ci = 1.0+theA+theB;
1211 G4double con2 = ci-theA*tau; 1237 G4double con2 = ci-theA*tau;
1212 G4double etap = 0; 1238 G4double etap = 0;
1213 if (std::fabs(con1) > 1.0e-16*std::fabs 1239 if (std::fabs(con1) > 1.0e-16*std::fabs(con2))
1214 etap = con2*(1.0-std::sqrt(1.0-2.0*ta 1240 etap = con2*(1.0-std::sqrt(1.0-2.0*tau*con1/(con2*con2)))/con1;
1215 else 1241 else
1216 etap = tau/con2; 1242 etap = tau/con2;
1217 G4double theFun = (theTable->GetPAC(upp 1243 G4double theFun = (theTable->GetPAC(upperBound+1)-thePAC)*
1218 (1.0+(theA+theB*etap)*etap)*(1.0+(the 1244 (1.0+(theA+theB*etap)*etap)*(1.0+(theA+theB*etap)*etap)/
1219 ((1.0-theB*etap*etap)*ci*(theTable->G 1245 ((1.0-theB*etap*etap)*ci*(theTable->GetX(upperBound+1)-Q1));
1220 fun->push_back(theFun); 1246 fun->push_back(theFun);
1221 } 1247 }
1222 //Now intergrate numerically the fun 1248 //Now intergrate numerically the fun Cavalieri-Simpson's method
1223 G4DataVector* sum = new G4DataVector; 1249 G4DataVector* sum = new G4DataVector;
1224 G4double CONS = DQ*(1./12.); 1250 G4double CONS = DQ*(1./12.);
1225 G4double HCONS = 0.5*CONS; 1251 G4double HCONS = 0.5*CONS;
1226 sum->push_back(0.); 1252 sum->push_back(0.);
1227 G4double secondPoint = (*sum)[0] + << 1253 G4double secondPoint = (*sum)[0] +
1228 (5.0*(*fun)[0]+8.0*(*fun)[1]-(*fun)[2])*C 1254 (5.0*(*fun)[0]+8.0*(*fun)[1]-(*fun)[2])*CONS;
1229 sum->push_back(secondPoint); 1255 sum->push_back(secondPoint);
1230 for (std::size_t hh=2;hh<nip-1;++hh) << 1256 for (size_t hh=2;hh<nip-1;hh++)
1231 { 1257 {
1232 G4double previous = (*sum)[hh-1]; 1258 G4double previous = (*sum)[hh-1];
1233 G4double next = previous+(13.0*((*fun)[ 1259 G4double next = previous+(13.0*((*fun)[hh-1]+(*fun)[hh])-
1234 (*fun)[hh+1]-(*fun)[hh-2])*HCON 1260 (*fun)[hh+1]-(*fun)[hh-2])*HCONS;
1235 sum->push_back(next); 1261 sum->push_back(next);
1236 } 1262 }
1237 G4double last = (*sum)[nip-2]+(5.0*(* 1263 G4double last = (*sum)[nip-2]+(5.0*(*fun)[nip-1]+8.0*(*fun)[nip-2]-
1238 (*fun)[nip-3])*CONS; 1264 (*fun)[nip-3])*CONS;
1239 sum->push_back(last); << 1265 sum->push_back(last);
1240 thePMax = thePAC + (*sum)[sum->size() 1266 thePMax = thePAC + (*sum)[sum->size()-1]; //last point
1241 delete fun; 1267 delete fun;
1242 delete sum; 1268 delete sum;
1243 } 1269 }
1244 else 1270 else
1245 { 1271 {
1246 thePMax = 1.0; 1272 thePMax = 1.0;
1247 } << 1273 }
1248 } 1274 }
1249 else 1275 else
1250 { 1276 {
1251 thePMax = theTable->GetPAC(0); 1277 thePMax = theTable->GetPAC(0);
1252 } 1278 }
1253 1279
1254 //Write number in the table 1280 //Write number in the table
1255 theVec->PutValue(ie,energy,thePMax); 1281 theVec->PutValue(ie,energy,thePMax);
1256 } 1282 }
1257 << 1283
1258 fPMaxTable->insert(std::make_pair(mat,theVe << 1284 pMaxTable->insert(std::make_pair(mat,theVec));
1259 return; 1285 return;
>> 1286
1260 } 1287 }
1261 1288
1262 //....oooOO0OOooo........oooOO0OOooo........o 1289 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
1263 1290
1264 void G4PenelopeRayleighModel::DumpFormFactorT 1291 void G4PenelopeRayleighModel::DumpFormFactorTable(const G4Material* mat)
1265 { 1292 {
1266 G4cout << "******************************** 1293 G4cout << "*****************************************************************" << G4endl;
1267 G4cout << "G4PenelopeRayleighModel: Form Fa 1294 G4cout << "G4PenelopeRayleighModel: Form Factor Table for " << mat->GetName() << G4endl;
1268 //try to use the same format as Penelope-Fo 1295 //try to use the same format as Penelope-Fortran, namely Q (/m_e*c) and F
1269 G4cout << "Q/(m_e*c) F(Q) 1296 G4cout << "Q/(m_e*c) F(Q) " << G4endl;
1270 G4cout << "******************************** 1297 G4cout << "*****************************************************************" << G4endl;
1271 if (!fLogFormFactorTable->count(mat)) << 1298 if (!logFormFactorTable->count(mat))
1272 BuildFormFactorTable(mat); 1299 BuildFormFactorTable(mat);
1273 << 1300
1274 G4PhysicsFreeVector* theVec = fLogFormFacto << 1301 G4PhysicsFreeVector* theVec = logFormFactorTable->find(mat)->second;
1275 for (std::size_t i=0;i<theVec->GetVectorLen << 1302 for (size_t i=0;i<theVec->GetVectorLength();i++)
1276 { 1303 {
1277 G4double logQ2 = theVec->GetLowEdgeEner 1304 G4double logQ2 = theVec->GetLowEdgeEnergy(i);
1278 G4double Q = G4Exp(0.5*logQ2); << 1305 G4double Q = std::exp(0.5*logQ2);
1279 G4double logF2 = (*theVec)[i]; 1306 G4double logF2 = (*theVec)[i];
1280 G4double F = G4Exp(0.5*logF2); << 1307 G4double F = std::exp(0.5*logF2);
1281 G4cout << Q << " " << F << 1308 G4cout << Q << " " << F << G4endl;
1282 } 1309 }
1283 //DONE 1310 //DONE
1284 return; 1311 return;
1285 } 1312 }
1286 1313
1287 //....oooOO0OOooo........oooOO0OOooo........o 1314 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...
1288 1315
1289 void G4PenelopeRayleighModel::SetParticle(con 1316 void G4PenelopeRayleighModel::SetParticle(const G4ParticleDefinition* p)
1290 { 1317 {
1291 if(!fParticle) { 1318 if(!fParticle) {
1292 fParticle = p; << 1319 fParticle = p;
1293 } 1320 }
1294 } 1321 }
1295 1322