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24 // ******************************************* 24 // ********************************************************************
25 // 25 //
26 // 26 //
27 // 27 //
28 // Author: Maria Grazia Pia (Maria.Grazia.Pia@ 28 // Author: Maria Grazia Pia (Maria.Grazia.Pia@cern.ch)
29 // 29 //
30 // History: 30 // History:
31 // ----------- 31 // -----------
32 // 31 Jul 2001 MGP Created, with dumm 32 // 31 Jul 2001 MGP Created, with dummy implementation
33 // 12.09.01 V.Ivanchenko Add param and inte 33 // 12.09.01 V.Ivanchenko Add param and interpolation of parameters
34 // 04.10.01 V.Ivanchenko Add BindingEnergy 34 // 04.10.01 V.Ivanchenko Add BindingEnergy method
35 // 25.10.01 MGP Many bug fixes, mo 35 // 25.10.01 MGP Many bug fixes, mostly related to the
36 // management of poin 36 // management of pointers
37 // 29.11.01 V.Ivanchenko New parametrisatio 37 // 29.11.01 V.Ivanchenko New parametrisation + Excitation
38 // 30.05.02 V.Ivanchenko Format and names o 38 // 30.05.02 V.Ivanchenko Format and names of the data files were
39 // chenged to "ion-.. 39 // chenged to "ion-..."
40 // 17.02.04 V.Ivanchenko Increase buffer si 40 // 17.02.04 V.Ivanchenko Increase buffer size
41 // 23.03.09 L.Pandola Updated warning me 41 // 23.03.09 L.Pandola Updated warning message
42 // 03.12.10 V.Ivanchenko Fixed memory leak 42 // 03.12.10 V.Ivanchenko Fixed memory leak in LoadData
43 // 43 //
44 // ------------------------------------------- 44 // -------------------------------------------------------------------
45 45
46 #include "G4eIonisationParameters.hh" 46 #include "G4eIonisationParameters.hh"
47 #include "G4SystemOfUnits.hh" 47 #include "G4SystemOfUnits.hh"
48 #include "G4VEMDataSet.hh" 48 #include "G4VEMDataSet.hh"
49 #include "G4ShellEMDataSet.hh" 49 #include "G4ShellEMDataSet.hh"
50 #include "G4EMDataSet.hh" 50 #include "G4EMDataSet.hh"
51 #include "G4CompositeEMDataSet.hh" 51 #include "G4CompositeEMDataSet.hh"
52 #include "G4LinInterpolation.hh" 52 #include "G4LinInterpolation.hh"
53 #include "G4LogLogInterpolation.hh" 53 #include "G4LogLogInterpolation.hh"
54 #include "G4LinLogLogInterpolation.hh" 54 #include "G4LinLogLogInterpolation.hh"
55 #include "G4SemiLogInterpolation.hh" 55 #include "G4SemiLogInterpolation.hh"
56 #include "G4Material.hh" 56 #include "G4Material.hh"
57 #include "G4DataVector.hh" 57 #include "G4DataVector.hh"
58 #include <fstream> 58 #include <fstream>
59 #include <sstream> 59 #include <sstream>
60 60
61 //....oooOO0OOooo........oooOO0OOooo........oo <<
62 61
63 G4eIonisationParameters:: G4eIonisationParamet << 62 G4eIonisationParameters:: G4eIonisationParameters(G4int minZ, G4int maxZ)
>> 63 : zMin(minZ), zMax(maxZ),
>> 64 length(24)
64 { 65 {
65 LoadData(); 66 LoadData();
66 } 67 }
67 68
68 //....oooOO0OOooo........oooOO0OOooo........oo <<
69 69
70 G4eIonisationParameters::~G4eIonisationParamet 70 G4eIonisationParameters::~G4eIonisationParameters()
71 { 71 {
72 // Reset the map of data sets: remove the da 72 // Reset the map of data sets: remove the data sets from the map
73 for (auto& pos : param) << 73 std::map<G4int,G4VEMDataSet*,std::less<G4int> >::iterator pos;
>> 74
>> 75 for (pos = param.begin(); pos != param.end(); ++pos)
74 { 76 {
75 G4VEMDataSet* dataSet = pos.second; << 77 G4VEMDataSet* dataSet = (*pos).second;
76 delete dataSet; 78 delete dataSet;
77 dataSet = nullptr; <<
78 } 79 }
79 for (auto& pos : excit) << 80
80 { << 81 for (pos = excit.begin(); pos != excit.end(); ++pos)
81 G4VEMDataSet* dataSet = pos.second; << 82 {
>> 83 G4VEMDataSet* dataSet = (*pos).second;
82 delete dataSet; 84 delete dataSet;
83 dataSet = nullptr; <<
84 } 85 }
>> 86
85 activeZ.clear(); 87 activeZ.clear();
86 } 88 }
87 89
88 //....oooOO0OOooo........oooOO0OOooo........oo <<
89 90
90 G4double G4eIonisationParameters::Parameter(G4 91 G4double G4eIonisationParameters::Parameter(G4int Z, G4int shellIndex,
91 92 G4int parameterIndex,
92 93 G4double e) const
93 { 94 {
94 G4double value = 0.; 95 G4double value = 0.;
95 G4int id = Z*100 + parameterIndex; 96 G4int id = Z*100 + parameterIndex;
>> 97 std::map<G4int,G4VEMDataSet*,std::less<G4int> >::const_iterator pos;
96 98
97 auto pos = param.find(id); << 99 pos = param.find(id);
98 if (pos!= param.end()) { 100 if (pos!= param.end()) {
99 G4VEMDataSet* dataSet = (*pos).second; 101 G4VEMDataSet* dataSet = (*pos).second;
100 G4int nShells = (G4int)dataSet->NumberOfCo << 102 G4int nShells = dataSet->NumberOfComponents();
101 103
102 if(shellIndex < nShells) { 104 if(shellIndex < nShells) {
103 const G4VEMDataSet* component = dataSet- 105 const G4VEMDataSet* component = dataSet->GetComponent(shellIndex);
104 const G4DataVector ener = component->Get 106 const G4DataVector ener = component->GetEnergies(0);
105 G4double ee = std::max(ener.front(),std: 107 G4double ee = std::max(ener.front(),std::min(ener.back(),e));
106 value = component->FindValue(ee); 108 value = component->FindValue(ee);
107 } else { 109 } else {
108 G4cout << "WARNING: G4IonisationParamete 110 G4cout << "WARNING: G4IonisationParameters::FindParameter "
109 << "has no parameters for shell= 111 << "has no parameters for shell= " << shellIndex
110 << "; Z= " << Z 112 << "; Z= " << Z
111 << G4endl; 113 << G4endl;
112 } 114 }
113 } else { 115 } else {
114 G4cout << "WARNING: G4IonisationParameters 116 G4cout << "WARNING: G4IonisationParameters::Parameter "
115 << "did not find ID = " 117 << "did not find ID = "
116 << shellIndex << G4endl; 118 << shellIndex << G4endl;
117 } 119 }
118 120
119 return value; 121 return value;
120 } 122 }
121 123
122 //....oooOO0OOooo........oooOO0OOooo........oo <<
123 <<
124 G4double G4eIonisationParameters::Excitation(G 124 G4double G4eIonisationParameters::Excitation(G4int Z, G4double e) const
125 { 125 {
126 G4double value = 0.; 126 G4double value = 0.;
127 auto pos = excit.find(Z); << 127 std::map<G4int,G4VEMDataSet*,std::less<G4int> >::const_iterator pos;
>> 128
>> 129 pos = excit.find(Z);
128 if (pos!= excit.end()) { 130 if (pos!= excit.end()) {
129 G4VEMDataSet* dataSet = (*pos).second; 131 G4VEMDataSet* dataSet = (*pos).second;
130 132
131 const G4DataVector ener = dataSet->GetEner 133 const G4DataVector ener = dataSet->GetEnergies(0);
132 G4double ee = std::max(ener.front(),std::m 134 G4double ee = std::max(ener.front(),std::min(ener.back(),e));
133 value = dataSet->FindValue(ee); 135 value = dataSet->FindValue(ee);
134 } else { 136 } else {
135 G4cout << "WARNING: G4IonisationParameters 137 G4cout << "WARNING: G4IonisationParameters::Excitation "
136 << "did not find ID = " 138 << "did not find ID = "
137 << Z << G4endl; 139 << Z << G4endl;
138 } 140 }
139 141
140 return value; 142 return value;
141 } 143 }
142 144
143 //....oooOO0OOooo........oooOO0OOooo........oo <<
144 145
145 void G4eIonisationParameters::LoadData() 146 void G4eIonisationParameters::LoadData()
146 { 147 {
147 // --------------------------------------- 148 // ---------------------------------------
148 // Please document what are the parameters 149 // Please document what are the parameters
149 // --------------------------------------- 150 // ---------------------------------------
150 151
151 // define active elements 152 // define active elements
152 153
153 const G4MaterialTable* materialTable = G4Mat 154 const G4MaterialTable* materialTable = G4Material::GetMaterialTable();
154 if (materialTable == nullptr) << 155 if (materialTable == 0)
155 G4Exception("G4eIonisationParameters::Loa 156 G4Exception("G4eIonisationParameters::LoadData",
156 "em1001",FatalException,"Unable to fin 157 "em1001",FatalException,"Unable to find MaterialTable");
157 158
158 std::size_t nMaterials = G4Material::GetNumb << 159 G4int nMaterials = G4Material::GetNumberOfMaterials();
159 160
160 for (std::size_t mLocal=0; mLocal<nMaterials << 161 for (G4int mLocal=0; mLocal<nMaterials; mLocal++) {
161 162
162 const G4Material* material= (*materialTabl 163 const G4Material* material= (*materialTable)[mLocal];
163 const G4ElementVector* elementVector = mat 164 const G4ElementVector* elementVector = material->GetElementVector();
164 const std::size_t nElements = material->Ge << 165 const size_t nElements = material->GetNumberOfElements();
165 166
166 for (std::size_t iEl=0; iEl<nElements; ++i << 167 for (size_t iEl=0; iEl<nElements; iEl++) {
167 G4double Z = (*elementVector)[iEl]->GetZ << 168 G4Element* element = (*elementVector)[iEl];
>> 169 G4double Z = element->GetZ();
168 if (!(activeZ.contains(Z))) { 170 if (!(activeZ.contains(Z))) {
169 activeZ.push_back(Z); 171 activeZ.push_back(Z);
170 } 172 }
171 } 173 }
172 } 174 }
173 175
174 const char* path = G4FindDataDir("G4LEDATA") << 176 char* path = getenv("G4LEDATA");
175 if (!path) 177 if (!path)
176 { 178 {
177 G4Exception("G4BremsstrahlungParameters: 179 G4Exception("G4BremsstrahlungParameters::LoadData",
178 "em0006",FatalException,"G4LEDATA envi 180 "em0006",FatalException,"G4LEDATA environment variable not set");
179 return; 181 return;
180 } 182 }
181 183
182 G4String pathString(path); 184 G4String pathString(path);
183 G4String path2("/ioni/ion-sp-"); 185 G4String path2("/ioni/ion-sp-");
184 pathString += path2; 186 pathString += path2;
185 187
186 G4double energy, sum; 188 G4double energy, sum;
187 189
188 std::size_t nZ = activeZ.size(); << 190 size_t nZ = activeZ.size();
189 191
190 for (std::size_t i=0; i<nZ; ++i) { << 192 for (size_t i=0; i<nZ; i++) {
191 193
192 G4int Z = (G4int)activeZ[i]; 194 G4int Z = (G4int)activeZ[i];
193 std::ostringstream ost; 195 std::ostringstream ost;
194 ost << pathString << Z << ".dat"; 196 ost << pathString << Z << ".dat";
195 G4String name(ost.str()); 197 G4String name(ost.str());
196 198
197 std::ifstream file(name); 199 std::ifstream file(name);
198 std::filebuf* lsdp = file.rdbuf(); 200 std::filebuf* lsdp = file.rdbuf();
199 201
200 if (! (lsdp->is_open()) ) { 202 if (! (lsdp->is_open()) ) {
201 G4String excep = G4String("data file: ") 203 G4String excep = G4String("data file: ")
202 + name + G4String(" not found"); 204 + name + G4String(" not found");
203 G4Exception("G4eIonisationParameters::Lo 205 G4Exception("G4eIonisationParameters::LoadData",
204 "em0003",FatalException,excep); 206 "em0003",FatalException,excep);
205 } 207 }
206 208
207 // The file is organized into: 209 // The file is organized into:
208 // For each shell there are two lines: 210 // For each shell there are two lines:
209 // 1st line: 211 // 1st line:
210 // 1st column is the energy of incident e- 212 // 1st column is the energy of incident e-,
211 // 2d column is the parameter of screan t 213 // 2d column is the parameter of screan term;
212 // 2d line: 214 // 2d line:
213 // 3 energy (MeV) subdividing different ap 215 // 3 energy (MeV) subdividing different approximation area of the spectrum
214 // 20 point on the spectrum 216 // 20 point on the spectrum
215 // The shell terminates with the pattern: 217 // The shell terminates with the pattern: -1 -1
216 // The file terminates with the pattern: - 218 // The file terminates with the pattern: -2 -2
217 219
218 std::vector<G4VEMDataSet*> p; 220 std::vector<G4VEMDataSet*> p;
219 for (std::size_t k=0; k<length; ++k) << 221 for (size_t k=0; k<length; k++)
220 { 222 {
221 G4VDataSetAlgorithm* inter = new G4LinLogLog 223 G4VDataSetAlgorithm* inter = new G4LinLogLogInterpolation();
222 G4VEMDataSet* composite = new G4CompositeEMD 224 G4VEMDataSet* composite = new G4CompositeEMDataSet(inter,1.,1.);
223 p.push_back(composite); 225 p.push_back(composite);
224 } 226 }
225 227
226 G4int shell = 0; 228 G4int shell = 0;
227 std::vector<G4DataVector*> a; 229 std::vector<G4DataVector*> a;
228 a.resize(length); 230 a.resize(length);
229 G4DataVector e; 231 G4DataVector e;
230 G4bool isReady = false; 232 G4bool isReady = false;
231 do { 233 do {
232 file >> energy >> sum; 234 file >> energy >> sum;
233 //Check if energy is valid 235 //Check if energy is valid
234 if (energy < -2) 236 if (energy < -2)
235 { 237 {
236 G4String excep("invalid data file"); 238 G4String excep("invalid data file");
237 G4Exception("G4eIonisationParameters 239 G4Exception("G4eIonisationParameters::LoadData",
238 "em0005",FatalException,excep); 240 "em0005",FatalException,excep);
239 return; 241 return;
240 } 242 }
241 243
242 if (energy == -2) break; 244 if (energy == -2) break;
243 245
244 if (energy > -1) { 246 if (energy > -1) {
245 // new energy 247 // new energy
246 if(!isReady) { 248 if(!isReady) {
247 isReady = true; 249 isReady = true;
248 e.clear(); 250 e.clear();
249 for (std::size_t j=0; j<length; ++j) { << 251 for (size_t j=0; j<length; ++j) {
250 a[j] = new G4DataVector(); 252 a[j] = new G4DataVector();
251 } 253 }
252 } 254 }
253 e.push_back(energy); 255 e.push_back(energy);
254 a[0]->push_back(sum); 256 a[0]->push_back(sum);
255 for (std::size_t j=1; j<length; ++j) { << 257 for (size_t j=1; j<length; ++j) {
256 G4double qRead; 258 G4double qRead;
257 file >> qRead; 259 file >> qRead;
258 a[j]->push_back(qRead); 260 a[j]->push_back(qRead);
259 } 261 }
260 262
261 } else { 263 } else {
262 264
263 // End of set for a shell, fill the ma 265 // End of set for a shell, fill the map
264 for (std::size_t k=0; k<length; ++k) { << 266 for (size_t k=0; k<length; k++) {
265 267
266 G4VDataSetAlgorithm* interp; 268 G4VDataSetAlgorithm* interp;
267 if(0 == k) { interp = new G4LinLogL 269 if(0 == k) { interp = new G4LinLogLogInterpolation(); }
268 else { interp = new G4LogLogI 270 else { interp = new G4LogLogInterpolation(); }
269 271
270 G4DataVector* eVector = new G4DataVector; 272 G4DataVector* eVector = new G4DataVector;
271 std::size_t eSize = e.size(); << 273 size_t eSize = e.size();
272 for (std::size_t sLocal=0; sLocal<eSize; + << 274 for (size_t sLocal=0; sLocal<eSize; sLocal++) {
273 eVector->push_back(e[sLocal]); 275 eVector->push_back(e[sLocal]);
274 } 276 }
275 G4VEMDataSet* set = new G4EMDataSet(shell, 277 G4VEMDataSet* set = new G4EMDataSet(shell,eVector,a[k],interp,1.,1.);
276 278
277 p[k]->AddComponent(set); 279 p[k]->AddComponent(set);
278 } 280 }
279 281
280 // next shell 282 // next shell
281 ++shell; 283 ++shell;
282 isReady = false; 284 isReady = false;
283 } 285 }
284 } while (energy > -2); 286 } while (energy > -2);
285 287
286 file.close(); 288 file.close();
287 289
288 for (G4int kk=0; kk<(G4int)length; ++kk) << 290 for (size_t kk=0; kk<length; kk++)
289 { 291 {
290 G4int id = Z*100 + kk; << 292 G4int id = Z*100 + kk;
291 param[id] = p[kk]; << 293 param[id] = p[kk];
292 } 294 }
293 } 295 }
294 296
295 G4String pathString_a(path); 297 G4String pathString_a(path);
296 G4String name_a = pathString_a + G4String("/ 298 G4String name_a = pathString_a + G4String("/ioni/ion-ex-av.dat");
297 std::ifstream file_a(name_a); 299 std::ifstream file_a(name_a);
298 std::filebuf* lsdp_a = file_a.rdbuf(); 300 std::filebuf* lsdp_a = file_a.rdbuf();
299 G4String pathString_b(path); 301 G4String pathString_b(path);
300 G4String name_b = pathString_b + G4String("/ 302 G4String name_b = pathString_b + G4String("/ioni/ion-ex-sig.dat");
301 std::ifstream file_b(name_b); 303 std::ifstream file_b(name_b);
302 std::filebuf* lsdp_b = file_b.rdbuf(); 304 std::filebuf* lsdp_b = file_b.rdbuf();
303 305
304 if (! (lsdp_a->is_open()) ) { 306 if (! (lsdp_a->is_open()) ) {
305 G4String excep = G4String("cannot open fi 307 G4String excep = G4String("cannot open file ")
306 + name_a; 308 + name_a;
307 G4Exception("G4eIonisationParameters::Loa 309 G4Exception("G4eIonisationParameters::LoadData",
308 "em0003",FatalException,excep); 310 "em0003",FatalException,excep);
309 } 311 }
310 if (! (lsdp_b->is_open()) ) { 312 if (! (lsdp_b->is_open()) ) {
311 G4String excep = G4String("cannot open fi 313 G4String excep = G4String("cannot open file ")
312 + name_b; 314 + name_b;
313 G4Exception("G4eIonisationParameters::Loa 315 G4Exception("G4eIonisationParameters::LoadData",
314 "em0003",FatalException,excep); 316 "em0003",FatalException,excep);
315 } 317 }
316 318
317 // The file is organized into two columns: 319 // The file is organized into two columns:
318 // 1st column is the energy 320 // 1st column is the energy
319 // 2nd column is the corresponding value 321 // 2nd column is the corresponding value
320 // The file terminates with the pattern: -1 322 // The file terminates with the pattern: -1 -1
321 // -2 323 // -2 -2
322 324
323 G4double ener, ener1, sig, sig1; 325 G4double ener, ener1, sig, sig1;
324 G4int z = 0; 326 G4int z = 0;
325 327
326 G4DataVector e; 328 G4DataVector e;
327 e.clear(); 329 e.clear();
328 G4DataVector d; 330 G4DataVector d;
329 d.clear(); 331 d.clear();
330 332
331 do { 333 do {
332 file_a >> ener >> sig; 334 file_a >> ener >> sig;
333 file_b >> ener1 >> sig1; 335 file_b >> ener1 >> sig1;
334 336
335 if(ener != ener1) { 337 if(ener != ener1) {
336 G4cout << "G4eIonisationParameters: prob 338 G4cout << "G4eIonisationParameters: problem in excitation data "
337 << "ener= " << ener 339 << "ener= " << ener
338 << " ener1= " << ener1 340 << " ener1= " << ener1
339 << G4endl; 341 << G4endl;
340 } 342 }
341 343
342 // End of file 344 // End of file
343 if (ener == -2) { 345 if (ener == -2) {
344 break; 346 break;
345 347
346 // End of next element 348 // End of next element
347 } else if (ener == -1) { 349 } else if (ener == -1) {
348 350
349 z++; 351 z++;
350 G4double Z = (G4double)z; 352 G4double Z = (G4double)z;
351 353
352 // fill map if Z is used 354 // fill map if Z is used
353 if (activeZ.contains(Z)) { 355 if (activeZ.contains(Z)) {
354 356
355 G4VDataSetAlgorithm* inter = new G4LinInter 357 G4VDataSetAlgorithm* inter = new G4LinInterpolation();
356 G4DataVector* eVector = new G4DataVector; 358 G4DataVector* eVector = new G4DataVector;
357 G4DataVector* dVector = new G4DataVector; 359 G4DataVector* dVector = new G4DataVector;
358 std::size_t eSize = e.size(); << 360 size_t eSize = e.size();
359 for (std::size_t sLocal2=0; sLocal2<eSize; + << 361 for (size_t sLocal2=0; sLocal2<eSize; sLocal2++) {
360 eVector->push_back(e[sLocal2]); 362 eVector->push_back(e[sLocal2]);
361 dVector->push_back(d[sLocal2]); 363 dVector->push_back(d[sLocal2]);
362 } 364 }
363 G4VEMDataSet* set = new G4EMDataSet(z,eVecto 365 G4VEMDataSet* set = new G4EMDataSet(z,eVector,dVector,inter,1.,1.);
364 excit[z] = set; 366 excit[z] = set;
365 } 367 }
366 e.clear(); 368 e.clear();
367 d.clear(); 369 d.clear();
368 370
369 } else { 371 } else {
370 372
371 e.push_back(ener*MeV); 373 e.push_back(ener*MeV);
372 d.push_back(sig1*sig*barn*MeV); 374 d.push_back(sig1*sig*barn*MeV);
373 } 375 }
374 } while (ener != -2); 376 } while (ener != -2);
375 377
376 file_a.close(); 378 file_a.close();
377 379
378 } 380 }
379 381
380 //....oooOO0OOooo........oooOO0OOooo........oo <<
381 382
382 void G4eIonisationParameters::PrintData() cons 383 void G4eIonisationParameters::PrintData() const
383 { 384 {
384 G4cout << G4endl; 385 G4cout << G4endl;
385 G4cout << "===== G4eIonisationParameters === 386 G4cout << "===== G4eIonisationParameters =====" << G4endl;
386 G4cout << G4endl; 387 G4cout << G4endl;
387 388
388 std::size_t nZ = activeZ.size(); << 389 size_t nZ = activeZ.size();
389 std::map<G4int,G4VEMDataSet*,std::less<G4int 390 std::map<G4int,G4VEMDataSet*,std::less<G4int> >::const_iterator pos;
390 391
391 for (std::size_t i=0; i<nZ; i++) { << 392 for (size_t i=0; i<nZ; i++) {
392 G4int Z = (G4int)activeZ[i]; 393 G4int Z = (G4int)activeZ[i];
393 394
394 for (G4int j=0; j<(G4int)length; ++j) { << 395 for (size_t j=0; j<length; j++) {
395 396
396 G4int index = Z*100 + j; 397 G4int index = Z*100 + j;
397 398
398 pos = param.find(index); 399 pos = param.find(index);
399 if (pos!= param.cend()) { << 400 if (pos!= param.end()) {
400 G4VEMDataSet* dataSet = (*pos).second; 401 G4VEMDataSet* dataSet = (*pos).second;
401 std::size_t nShells = dataSet->NumberO << 402 size_t nShells = dataSet->NumberOfComponents();
402 403
403 for (G4int k=0; k<(G4int)nShells; ++k) << 404 for (size_t k=0; k<nShells; k++) {
404 405
405 G4cout << "===== Z= " << Z << " shel 406 G4cout << "===== Z= " << Z << " shell= " << k
406 << " parameter[" << j << "] 407 << " parameter[" << j << "] ====="
407 << G4endl; 408 << G4endl;
408 const G4VEMDataSet* comp = dataSet-> 409 const G4VEMDataSet* comp = dataSet->GetComponent(k);
409 comp->PrintData(); 410 comp->PrintData();
410 } 411 }
411 } 412 }
412 } 413 }
413 } 414 }
414 G4cout << "================================= 415 G4cout << "====================================" << G4endl;
415 } 416 }
416 417
417 418
418 419