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26 // 26 //
>> 27 // $Id: G4eIonisationParameters.cc,v 1.23 2006/06/29 19:42:02 gunter Exp $
>> 28 // GEANT4 tag $Name: geant4-09-02 $
27 // 29 //
28 // Author: Maria Grazia Pia (Maria.Grazia.Pia@ 30 // Author: Maria Grazia Pia (Maria.Grazia.Pia@cern.ch)
29 // 31 //
30 // History: 32 // History:
31 // ----------- 33 // -----------
32 // 31 Jul 2001 MGP Created, with dumm 34 // 31 Jul 2001 MGP Created, with dummy implementation
33 // 12.09.01 V.Ivanchenko Add param and inte 35 // 12.09.01 V.Ivanchenko Add param and interpolation of parameters
34 // 04.10.01 V.Ivanchenko Add BindingEnergy 36 // 04.10.01 V.Ivanchenko Add BindingEnergy method
35 // 25.10.01 MGP Many bug fixes, mo 37 // 25.10.01 MGP Many bug fixes, mostly related to the
36 // management of poin 38 // management of pointers
37 // 29.11.01 V.Ivanchenko New parametrisatio 39 // 29.11.01 V.Ivanchenko New parametrisation + Excitation
38 // 30.05.02 V.Ivanchenko Format and names o 40 // 30.05.02 V.Ivanchenko Format and names of the data files were
39 // chenged to "ion-.. 41 // chenged to "ion-..."
40 // 17.02.04 V.Ivanchenko Increase buffer si 42 // 17.02.04 V.Ivanchenko Increase buffer size
41 // 23.03.09 L.Pandola Updated warning me <<
42 // 03.12.10 V.Ivanchenko Fixed memory leak <<
43 // 43 //
44 // ------------------------------------------- 44 // -------------------------------------------------------------------
45 45
46 #include "G4eIonisationParameters.hh" 46 #include "G4eIonisationParameters.hh"
47 #include "G4SystemOfUnits.hh" <<
48 #include "G4VEMDataSet.hh" 47 #include "G4VEMDataSet.hh"
49 #include "G4ShellEMDataSet.hh" 48 #include "G4ShellEMDataSet.hh"
50 #include "G4EMDataSet.hh" 49 #include "G4EMDataSet.hh"
51 #include "G4CompositeEMDataSet.hh" 50 #include "G4CompositeEMDataSet.hh"
52 #include "G4LinInterpolation.hh" 51 #include "G4LinInterpolation.hh"
53 #include "G4LogLogInterpolation.hh" 52 #include "G4LogLogInterpolation.hh"
54 #include "G4LinLogLogInterpolation.hh" 53 #include "G4LinLogLogInterpolation.hh"
55 #include "G4SemiLogInterpolation.hh" 54 #include "G4SemiLogInterpolation.hh"
56 #include "G4Material.hh" 55 #include "G4Material.hh"
57 #include "G4DataVector.hh" 56 #include "G4DataVector.hh"
58 #include <fstream> 57 #include <fstream>
59 #include <sstream> 58 #include <sstream>
60 59
61 //....oooOO0OOooo........oooOO0OOooo........oo <<
62 60
63 G4eIonisationParameters:: G4eIonisationParamet << 61 G4eIonisationParameters:: G4eIonisationParameters(G4int minZ, G4int maxZ)
>> 62 : zMin(minZ), zMax(maxZ),
>> 63 length(24)
64 { 64 {
65 LoadData(); 65 LoadData();
66 } 66 }
67 67
68 //....oooOO0OOooo........oooOO0OOooo........oo <<
69 68
70 G4eIonisationParameters::~G4eIonisationParamet 69 G4eIonisationParameters::~G4eIonisationParameters()
71 { 70 {
72 // Reset the map of data sets: remove the da 71 // Reset the map of data sets: remove the data sets from the map
73 for (auto& pos : param) << 72 std::map<G4int,G4VEMDataSet*,std::less<G4int> >::iterator pos;
>> 73
>> 74 for (pos = param.begin(); pos != param.end(); ++pos)
74 { 75 {
75 G4VEMDataSet* dataSet = pos.second; << 76 G4VEMDataSet* dataSet = (*pos).second;
76 delete dataSet; 77 delete dataSet;
77 dataSet = nullptr; <<
78 } 78 }
79 for (auto& pos : excit) << 79
80 { << 80 for (pos = excit.begin(); pos != excit.end(); ++pos)
81 G4VEMDataSet* dataSet = pos.second; << 81 {
>> 82 G4VEMDataSet* dataSet = (*pos).second;
82 delete dataSet; 83 delete dataSet;
83 dataSet = nullptr; <<
84 } 84 }
>> 85
85 activeZ.clear(); 86 activeZ.clear();
86 } 87 }
87 88
88 //....oooOO0OOooo........oooOO0OOooo........oo <<
89 89
90 G4double G4eIonisationParameters::Parameter(G4 90 G4double G4eIonisationParameters::Parameter(G4int Z, G4int shellIndex,
91 91 G4int parameterIndex,
92 92 G4double e) const
93 { 93 {
94 G4double value = 0.; 94 G4double value = 0.;
95 G4int id = Z*100 + parameterIndex; 95 G4int id = Z*100 + parameterIndex;
>> 96 std::map<G4int,G4VEMDataSet*,std::less<G4int> >::const_iterator pos;
96 97
97 auto pos = param.find(id); << 98 pos = param.find(id);
98 if (pos!= param.end()) { 99 if (pos!= param.end()) {
99 G4VEMDataSet* dataSet = (*pos).second; 100 G4VEMDataSet* dataSet = (*pos).second;
100 G4int nShells = (G4int)dataSet->NumberOfCo << 101 G4int nShells = dataSet->NumberOfComponents();
101 102
102 if(shellIndex < nShells) { 103 if(shellIndex < nShells) {
103 const G4VEMDataSet* component = dataSet- 104 const G4VEMDataSet* component = dataSet->GetComponent(shellIndex);
104 const G4DataVector ener = component->Get 105 const G4DataVector ener = component->GetEnergies(0);
105 G4double ee = std::max(ener.front(),std: 106 G4double ee = std::max(ener.front(),std::min(ener.back(),e));
106 value = component->FindValue(ee); 107 value = component->FindValue(ee);
107 } else { 108 } else {
108 G4cout << "WARNING: G4IonisationParamete 109 G4cout << "WARNING: G4IonisationParameters::FindParameter "
109 << "has no parameters for shell= 110 << "has no parameters for shell= " << shellIndex
110 << "; Z= " << Z 111 << "; Z= " << Z
111 << G4endl; 112 << G4endl;
112 } 113 }
113 } else { 114 } else {
114 G4cout << "WARNING: G4IonisationParameters 115 G4cout << "WARNING: G4IonisationParameters::Parameter "
115 << "did not find ID = " 116 << "did not find ID = "
116 << shellIndex << G4endl; 117 << shellIndex << G4endl;
117 } 118 }
118 119
119 return value; 120 return value;
120 } 121 }
121 122
122 //....oooOO0OOooo........oooOO0OOooo........oo <<
123 <<
124 G4double G4eIonisationParameters::Excitation(G 123 G4double G4eIonisationParameters::Excitation(G4int Z, G4double e) const
125 { 124 {
126 G4double value = 0.; 125 G4double value = 0.;
127 auto pos = excit.find(Z); << 126 std::map<G4int,G4VEMDataSet*,std::less<G4int> >::const_iterator pos;
>> 127
>> 128 pos = excit.find(Z);
128 if (pos!= excit.end()) { 129 if (pos!= excit.end()) {
129 G4VEMDataSet* dataSet = (*pos).second; 130 G4VEMDataSet* dataSet = (*pos).second;
130 131
131 const G4DataVector ener = dataSet->GetEner 132 const G4DataVector ener = dataSet->GetEnergies(0);
132 G4double ee = std::max(ener.front(),std::m 133 G4double ee = std::max(ener.front(),std::min(ener.back(),e));
133 value = dataSet->FindValue(ee); 134 value = dataSet->FindValue(ee);
134 } else { 135 } else {
135 G4cout << "WARNING: G4IonisationParameters 136 G4cout << "WARNING: G4IonisationParameters::Excitation "
136 << "did not find ID = " 137 << "did not find ID = "
137 << Z << G4endl; 138 << Z << G4endl;
138 } 139 }
139 140
140 return value; 141 return value;
141 } 142 }
142 143
143 //....oooOO0OOooo........oooOO0OOooo........oo <<
144 144
145 void G4eIonisationParameters::LoadData() 145 void G4eIonisationParameters::LoadData()
146 { 146 {
147 // --------------------------------------- 147 // ---------------------------------------
148 // Please document what are the parameters 148 // Please document what are the parameters
149 // --------------------------------------- 149 // ---------------------------------------
150 150
151 // define active elements 151 // define active elements
152 152
153 const G4MaterialTable* materialTable = G4Mat 153 const G4MaterialTable* materialTable = G4Material::GetMaterialTable();
154 if (materialTable == nullptr) << 154 if (materialTable == 0)
155 G4Exception("G4eIonisationParameters::Loa << 155 G4Exception("G4eIonisationParameters: no MaterialTable found)");
156 "em1001",FatalException,"Unable to fin <<
157 156
158 std::size_t nMaterials = G4Material::GetNumb << 157 G4int nMaterials = G4Material::GetNumberOfMaterials();
159 158
160 for (std::size_t mLocal=0; mLocal<nMaterials << 159 for (G4int m=0; m<nMaterials; m++) {
161 160
162 const G4Material* material= (*materialTabl << 161 const G4Material* material= (*materialTable)[m];
163 const G4ElementVector* elementVector = mat 162 const G4ElementVector* elementVector = material->GetElementVector();
164 const std::size_t nElements = material->Ge << 163 const size_t nElements = material->GetNumberOfElements();
165 164
166 for (std::size_t iEl=0; iEl<nElements; ++i << 165 for (size_t iEl=0; iEl<nElements; iEl++) {
167 G4double Z = (*elementVector)[iEl]->GetZ << 166 G4Element* element = (*elementVector)[iEl];
>> 167 G4double Z = element->GetZ();
168 if (!(activeZ.contains(Z))) { 168 if (!(activeZ.contains(Z))) {
169 activeZ.push_back(Z); 169 activeZ.push_back(Z);
170 } 170 }
171 } 171 }
172 } 172 }
173 173
174 const char* path = G4FindDataDir("G4LEDATA") << 174 char* path = getenv("G4LEDATA");
175 if (!path) 175 if (!path)
176 { 176 {
177 G4Exception("G4BremsstrahlungParameters: << 177 G4String excep("G4eIonisationParameters - G4LEDATA environment variable not set");
178 "em0006",FatalException,"G4LEDATA envi << 178 G4Exception(excep);
179 return; <<
180 } 179 }
181 180
182 G4String pathString(path); 181 G4String pathString(path);
183 G4String path2("/ioni/ion-sp-"); 182 G4String path2("/ioni/ion-sp-");
184 pathString += path2; 183 pathString += path2;
185 184
186 G4double energy, sum; 185 G4double energy, sum;
187 186
188 std::size_t nZ = activeZ.size(); << 187 size_t nZ = activeZ.size();
189 188
190 for (std::size_t i=0; i<nZ; ++i) { << 189 for (size_t i=0; i<nZ; i++) {
191 190
192 G4int Z = (G4int)activeZ[i]; 191 G4int Z = (G4int)activeZ[i];
193 std::ostringstream ost; 192 std::ostringstream ost;
194 ost << pathString << Z << ".dat"; 193 ost << pathString << Z << ".dat";
195 G4String name(ost.str()); 194 G4String name(ost.str());
196 195
197 std::ifstream file(name); 196 std::ifstream file(name);
198 std::filebuf* lsdp = file.rdbuf(); 197 std::filebuf* lsdp = file.rdbuf();
199 198
200 if (! (lsdp->is_open()) ) { 199 if (! (lsdp->is_open()) ) {
201 G4String excep = G4String("data file: ") << 200 G4String excep = G4String("G4IonisationParameters - data file: ")
202 + name + G4String(" not found"); << 201 + name + G4String(" not found. The version 1.# of G4LEDATA should be used");
203 G4Exception("G4eIonisationParameters::Lo << 202 G4Exception(excep);
204 "em0003",FatalException,excep); <<
205 } 203 }
206 204
207 // The file is organized into: 205 // The file is organized into:
208 // For each shell there are two lines: 206 // For each shell there are two lines:
209 // 1st line: 207 // 1st line:
210 // 1st column is the energy of incident e- 208 // 1st column is the energy of incident e-,
211 // 2d column is the parameter of screan t 209 // 2d column is the parameter of screan term;
212 // 2d line: 210 // 2d line:
213 // 3 energy (MeV) subdividing different ap 211 // 3 energy (MeV) subdividing different approximation area of the spectrum
214 // 20 point on the spectrum 212 // 20 point on the spectrum
215 // The shell terminates with the pattern: 213 // The shell terminates with the pattern: -1 -1
216 // The file terminates with the pattern: - 214 // The file terminates with the pattern: -2 -2
217 215
218 std::vector<G4VEMDataSet*> p; 216 std::vector<G4VEMDataSet*> p;
219 for (std::size_t k=0; k<length; ++k) << 217 for (size_t k=0; k<length; k++)
220 { 218 {
221 G4VDataSetAlgorithm* inter = new G4LinLogLog 219 G4VDataSetAlgorithm* inter = new G4LinLogLogInterpolation();
222 G4VEMDataSet* composite = new G4CompositeEMD 220 G4VEMDataSet* composite = new G4CompositeEMDataSet(inter,1.,1.);
223 p.push_back(composite); 221 p.push_back(composite);
224 } 222 }
225 223
226 G4int shell = 0; 224 G4int shell = 0;
227 std::vector<G4DataVector*> a; 225 std::vector<G4DataVector*> a;
228 a.resize(length); << 226 for (size_t j=0; j<length; j++)
>> 227 {
>> 228 G4DataVector* aa = new G4DataVector();
>> 229 a.push_back(aa);
>> 230 }
229 G4DataVector e; 231 G4DataVector e;
230 G4bool isReady = false; << 232 e.clear();
231 do { 233 do {
232 file >> energy >> sum; 234 file >> energy >> sum;
233 //Check if energy is valid <<
234 if (energy < -2) <<
235 { <<
236 G4String excep("invalid data file"); <<
237 G4Exception("G4eIonisationParameters <<
238 "em0005",FatalException,excep); <<
239 return; <<
240 } <<
241 <<
242 if (energy == -2) break; 235 if (energy == -2) break;
243 236
244 if (energy > -1) { 237 if (energy > -1) {
245 // new energy <<
246 if(!isReady) { <<
247 isReady = true; <<
248 e.clear(); <<
249 for (std::size_t j=0; j<length; ++j) { <<
250 a[j] = new G4DataVector(); <<
251 } <<
252 } <<
253 e.push_back(energy); 238 e.push_back(energy);
254 a[0]->push_back(sum); 239 a[0]->push_back(sum);
255 for (std::size_t j=1; j<length; ++j) { << 240 for (size_t j=0; j<length-1; j++) {
256 G4double qRead; 241 G4double qRead;
257 file >> qRead; 242 file >> qRead;
258 a[j]->push_back(qRead); << 243 a[j + 1]->push_back(qRead);
259 } 244 }
260 245
261 } else { 246 } else {
262 247
263 // End of set for a shell, fill the ma 248 // End of set for a shell, fill the map
264 for (std::size_t k=0; k<length; ++k) { << 249 for (size_t k=0; k<length; k++) {
265 250
266 G4VDataSetAlgorithm* interp; 251 G4VDataSetAlgorithm* interp;
267 if(0 == k) { interp = new G4LinLogL << 252 if(0 == k) interp = new G4LinLogLogInterpolation();
268 else { interp = new G4LogLogI << 253 else interp = new G4LogLogInterpolation();
269 254
270 G4DataVector* eVector = new G4DataVector; 255 G4DataVector* eVector = new G4DataVector;
271 std::size_t eSize = e.size(); << 256 size_t eSize = e.size();
272 for (std::size_t sLocal=0; sLocal<eSize; + << 257 for (size_t s=0; s<eSize; s++) {
273 eVector->push_back(e[sLocal]); << 258 eVector->push_back(e[s]);
274 } 259 }
275 G4VEMDataSet* set = new G4EMDataSet(shell, 260 G4VEMDataSet* set = new G4EMDataSet(shell,eVector,a[k],interp,1.,1.);
276 261
277 p[k]->AddComponent(set); 262 p[k]->AddComponent(set);
278 } 263 }
279 264
280 // next shell << 265 // clear vectors
281 ++shell; << 266 for (size_t j2=0; j2<length; j2++) {
282 isReady = false; << 267 a[j2] = new G4DataVector();
>> 268 }
>> 269 shell++;
>> 270 e.clear();
283 } 271 }
284 } while (energy > -2); 272 } while (energy > -2);
285 273
286 file.close(); 274 file.close();
287 275
288 for (G4int kk=0; kk<(G4int)length; ++kk) << 276 for (size_t kk=0; kk<length; kk++)
289 { 277 {
290 G4int id = Z*100 + kk; << 278 G4int id = Z*100 + kk;
291 param[id] = p[kk]; << 279 param[id] = p[kk];
292 } 280 }
293 } 281 }
294 282
295 G4String pathString_a(path); 283 G4String pathString_a(path);
296 G4String name_a = pathString_a + G4String("/ 284 G4String name_a = pathString_a + G4String("/ioni/ion-ex-av.dat");
297 std::ifstream file_a(name_a); 285 std::ifstream file_a(name_a);
298 std::filebuf* lsdp_a = file_a.rdbuf(); 286 std::filebuf* lsdp_a = file_a.rdbuf();
299 G4String pathString_b(path); 287 G4String pathString_b(path);
300 G4String name_b = pathString_b + G4String("/ 288 G4String name_b = pathString_b + G4String("/ioni/ion-ex-sig.dat");
301 std::ifstream file_b(name_b); 289 std::ifstream file_b(name_b);
302 std::filebuf* lsdp_b = file_b.rdbuf(); 290 std::filebuf* lsdp_b = file_b.rdbuf();
303 291
304 if (! (lsdp_a->is_open()) ) { 292 if (! (lsdp_a->is_open()) ) {
305 G4String excep = G4String("cannot open fi << 293 G4String excep = G4String("G4eIonisationParameters: cannot open file ")
306 + name_a; 294 + name_a;
307 G4Exception("G4eIonisationParameters::Loa << 295 G4Exception(excep);
308 "em0003",FatalException,excep); <<
309 } 296 }
310 if (! (lsdp_b->is_open()) ) { 297 if (! (lsdp_b->is_open()) ) {
311 G4String excep = G4String("cannot open fi << 298 G4String excep = G4String("G4eIonisationParameters: cannot open file ")
312 + name_b; 299 + name_b;
313 G4Exception("G4eIonisationParameters::Loa << 300 G4Exception(excep);
314 "em0003",FatalException,excep); <<
315 } 301 }
316 302
317 // The file is organized into two columns: 303 // The file is organized into two columns:
318 // 1st column is the energy 304 // 1st column is the energy
319 // 2nd column is the corresponding value 305 // 2nd column is the corresponding value
320 // The file terminates with the pattern: -1 306 // The file terminates with the pattern: -1 -1
321 // -2 307 // -2 -2
322 308
323 G4double ener, ener1, sig, sig1; 309 G4double ener, ener1, sig, sig1;
324 G4int z = 0; 310 G4int z = 0;
325 311
326 G4DataVector e; 312 G4DataVector e;
327 e.clear(); 313 e.clear();
328 G4DataVector d; 314 G4DataVector d;
329 d.clear(); 315 d.clear();
330 316
331 do { 317 do {
332 file_a >> ener >> sig; 318 file_a >> ener >> sig;
333 file_b >> ener1 >> sig1; 319 file_b >> ener1 >> sig1;
334 320
335 if(ener != ener1) { 321 if(ener != ener1) {
336 G4cout << "G4eIonisationParameters: prob 322 G4cout << "G4eIonisationParameters: problem in excitation data "
337 << "ener= " << ener 323 << "ener= " << ener
338 << " ener1= " << ener1 324 << " ener1= " << ener1
339 << G4endl; 325 << G4endl;
340 } 326 }
341 327
342 // End of file 328 // End of file
343 if (ener == -2) { 329 if (ener == -2) {
344 break; 330 break;
345 331
346 // End of next element 332 // End of next element
347 } else if (ener == -1) { 333 } else if (ener == -1) {
348 334
349 z++; 335 z++;
350 G4double Z = (G4double)z; 336 G4double Z = (G4double)z;
351 337
352 // fill map if Z is used 338 // fill map if Z is used
353 if (activeZ.contains(Z)) { 339 if (activeZ.contains(Z)) {
354 340
355 G4VDataSetAlgorithm* inter = new G4LinInter 341 G4VDataSetAlgorithm* inter = new G4LinInterpolation();
356 G4DataVector* eVector = new G4DataVector; 342 G4DataVector* eVector = new G4DataVector;
357 G4DataVector* dVector = new G4DataVector; 343 G4DataVector* dVector = new G4DataVector;
358 std::size_t eSize = e.size(); << 344 size_t eSize = e.size();
359 for (std::size_t sLocal2=0; sLocal2<eSize; + << 345 for (size_t s=0; s<eSize; s++) {
360 eVector->push_back(e[sLocal2]); << 346 eVector->push_back(e[s]);
361 dVector->push_back(d[sLocal2]); << 347 dVector->push_back(d[s]);
362 } 348 }
363 G4VEMDataSet* set = new G4EMDataSet(z,eVecto 349 G4VEMDataSet* set = new G4EMDataSet(z,eVector,dVector,inter,1.,1.);
364 excit[z] = set; 350 excit[z] = set;
365 } 351 }
366 e.clear(); 352 e.clear();
367 d.clear(); 353 d.clear();
368 354
369 } else { 355 } else {
370 356
371 e.push_back(ener*MeV); 357 e.push_back(ener*MeV);
372 d.push_back(sig1*sig*barn*MeV); 358 d.push_back(sig1*sig*barn*MeV);
373 } 359 }
374 } while (ener != -2); 360 } while (ener != -2);
375 361
376 file_a.close(); 362 file_a.close();
377 363
378 } 364 }
379 365
380 //....oooOO0OOooo........oooOO0OOooo........oo <<
381 366
382 void G4eIonisationParameters::PrintData() cons 367 void G4eIonisationParameters::PrintData() const
383 { 368 {
384 G4cout << G4endl; 369 G4cout << G4endl;
385 G4cout << "===== G4eIonisationParameters === 370 G4cout << "===== G4eIonisationParameters =====" << G4endl;
386 G4cout << G4endl; 371 G4cout << G4endl;
387 372
388 std::size_t nZ = activeZ.size(); << 373 size_t nZ = activeZ.size();
389 std::map<G4int,G4VEMDataSet*,std::less<G4int 374 std::map<G4int,G4VEMDataSet*,std::less<G4int> >::const_iterator pos;
390 375
391 for (std::size_t i=0; i<nZ; i++) { << 376 for (size_t i=0; i<nZ; i++) {
392 G4int Z = (G4int)activeZ[i]; 377 G4int Z = (G4int)activeZ[i];
393 378
394 for (G4int j=0; j<(G4int)length; ++j) { << 379 for (size_t j=0; j<length; j++) {
395 380
396 G4int index = Z*100 + j; 381 G4int index = Z*100 + j;
397 382
398 pos = param.find(index); 383 pos = param.find(index);
399 if (pos!= param.cend()) { << 384 if (pos!= param.end()) {
400 G4VEMDataSet* dataSet = (*pos).second; 385 G4VEMDataSet* dataSet = (*pos).second;
401 std::size_t nShells = dataSet->NumberO << 386 size_t nShells = dataSet->NumberOfComponents();
402 387
403 for (G4int k=0; k<(G4int)nShells; ++k) << 388 for (size_t k=0; k<nShells; k++) {
404 389
405 G4cout << "===== Z= " << Z << " shel 390 G4cout << "===== Z= " << Z << " shell= " << k
406 << " parameter[" << j << "] 391 << " parameter[" << j << "] ====="
407 << G4endl; 392 << G4endl;
408 const G4VEMDataSet* comp = dataSet-> 393 const G4VEMDataSet* comp = dataSet->GetComponent(k);
409 comp->PrintData(); 394 comp->PrintData();
410 } 395 }
411 } 396 }
412 } 397 }
413 } 398 }
414 G4cout << "================================= 399 G4cout << "====================================" << G4endl;
415 } 400 }
416 401
417 402
418 403