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26 // 26 //
>> 27 // $Id: G4eIonisationParameters.cc,v 1.26 2010-12-03 16:03:35 vnivanch Exp $
>> 28 // GEANT4 tag $Name: geant4-09-04-patch-01 $
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 43 // 23.03.09 L.Pandola Updated warning message
42 // 03.12.10 V.Ivanchenko Fixed memory leak 44 // 03.12.10 V.Ivanchenko Fixed memory leak in LoadData
43 // 45 //
44 // ------------------------------------------- 46 // -------------------------------------------------------------------
45 47
46 #include "G4eIonisationParameters.hh" 48 #include "G4eIonisationParameters.hh"
47 #include "G4SystemOfUnits.hh" <<
48 #include "G4VEMDataSet.hh" 49 #include "G4VEMDataSet.hh"
49 #include "G4ShellEMDataSet.hh" 50 #include "G4ShellEMDataSet.hh"
50 #include "G4EMDataSet.hh" 51 #include "G4EMDataSet.hh"
51 #include "G4CompositeEMDataSet.hh" 52 #include "G4CompositeEMDataSet.hh"
52 #include "G4LinInterpolation.hh" 53 #include "G4LinInterpolation.hh"
53 #include "G4LogLogInterpolation.hh" 54 #include "G4LogLogInterpolation.hh"
54 #include "G4LinLogLogInterpolation.hh" 55 #include "G4LinLogLogInterpolation.hh"
55 #include "G4SemiLogInterpolation.hh" 56 #include "G4SemiLogInterpolation.hh"
56 #include "G4Material.hh" 57 #include "G4Material.hh"
57 #include "G4DataVector.hh" 58 #include "G4DataVector.hh"
58 #include <fstream> 59 #include <fstream>
59 #include <sstream> 60 #include <sstream>
60 61
61 //....oooOO0OOooo........oooOO0OOooo........oo <<
62 62
63 G4eIonisationParameters:: G4eIonisationParamet << 63 G4eIonisationParameters:: G4eIonisationParameters(G4int minZ, G4int maxZ)
>> 64 : zMin(minZ), zMax(maxZ),
>> 65 length(24)
64 { 66 {
65 LoadData(); 67 LoadData();
66 } 68 }
67 69
68 //....oooOO0OOooo........oooOO0OOooo........oo <<
69 70
70 G4eIonisationParameters::~G4eIonisationParamet 71 G4eIonisationParameters::~G4eIonisationParameters()
71 { 72 {
72 // Reset the map of data sets: remove the da 73 // Reset the map of data sets: remove the data sets from the map
73 for (auto& pos : param) << 74 std::map<G4int,G4VEMDataSet*,std::less<G4int> >::iterator pos;
>> 75
>> 76 for (pos = param.begin(); pos != param.end(); ++pos)
74 { 77 {
75 G4VEMDataSet* dataSet = pos.second; << 78 G4VEMDataSet* dataSet = (*pos).second;
76 delete dataSet; 79 delete dataSet;
77 dataSet = nullptr; <<
78 } 80 }
79 for (auto& pos : excit) << 81
80 { << 82 for (pos = excit.begin(); pos != excit.end(); ++pos)
81 G4VEMDataSet* dataSet = pos.second; << 83 {
>> 84 G4VEMDataSet* dataSet = (*pos).second;
82 delete dataSet; 85 delete dataSet;
83 dataSet = nullptr; <<
84 } 86 }
>> 87
85 activeZ.clear(); 88 activeZ.clear();
86 } 89 }
87 90
88 //....oooOO0OOooo........oooOO0OOooo........oo <<
89 91
90 G4double G4eIonisationParameters::Parameter(G4 92 G4double G4eIonisationParameters::Parameter(G4int Z, G4int shellIndex,
91 93 G4int parameterIndex,
92 94 G4double e) const
93 { 95 {
94 G4double value = 0.; 96 G4double value = 0.;
95 G4int id = Z*100 + parameterIndex; 97 G4int id = Z*100 + parameterIndex;
>> 98 std::map<G4int,G4VEMDataSet*,std::less<G4int> >::const_iterator pos;
96 99
97 auto pos = param.find(id); << 100 pos = param.find(id);
98 if (pos!= param.end()) { 101 if (pos!= param.end()) {
99 G4VEMDataSet* dataSet = (*pos).second; 102 G4VEMDataSet* dataSet = (*pos).second;
100 G4int nShells = (G4int)dataSet->NumberOfCo << 103 G4int nShells = dataSet->NumberOfComponents();
101 104
102 if(shellIndex < nShells) { 105 if(shellIndex < nShells) {
103 const G4VEMDataSet* component = dataSet- 106 const G4VEMDataSet* component = dataSet->GetComponent(shellIndex);
104 const G4DataVector ener = component->Get 107 const G4DataVector ener = component->GetEnergies(0);
105 G4double ee = std::max(ener.front(),std: 108 G4double ee = std::max(ener.front(),std::min(ener.back(),e));
106 value = component->FindValue(ee); 109 value = component->FindValue(ee);
107 } else { 110 } else {
108 G4cout << "WARNING: G4IonisationParamete 111 G4cout << "WARNING: G4IonisationParameters::FindParameter "
109 << "has no parameters for shell= 112 << "has no parameters for shell= " << shellIndex
110 << "; Z= " << Z 113 << "; Z= " << Z
111 << G4endl; 114 << G4endl;
112 } 115 }
113 } else { 116 } else {
114 G4cout << "WARNING: G4IonisationParameters 117 G4cout << "WARNING: G4IonisationParameters::Parameter "
115 << "did not find ID = " 118 << "did not find ID = "
116 << shellIndex << G4endl; 119 << shellIndex << G4endl;
117 } 120 }
118 121
119 return value; 122 return value;
120 } 123 }
121 124
122 //....oooOO0OOooo........oooOO0OOooo........oo <<
123 <<
124 G4double G4eIonisationParameters::Excitation(G 125 G4double G4eIonisationParameters::Excitation(G4int Z, G4double e) const
125 { 126 {
126 G4double value = 0.; 127 G4double value = 0.;
127 auto pos = excit.find(Z); << 128 std::map<G4int,G4VEMDataSet*,std::less<G4int> >::const_iterator pos;
>> 129
>> 130 pos = excit.find(Z);
128 if (pos!= excit.end()) { 131 if (pos!= excit.end()) {
129 G4VEMDataSet* dataSet = (*pos).second; 132 G4VEMDataSet* dataSet = (*pos).second;
130 133
131 const G4DataVector ener = dataSet->GetEner 134 const G4DataVector ener = dataSet->GetEnergies(0);
132 G4double ee = std::max(ener.front(),std::m 135 G4double ee = std::max(ener.front(),std::min(ener.back(),e));
133 value = dataSet->FindValue(ee); 136 value = dataSet->FindValue(ee);
134 } else { 137 } else {
135 G4cout << "WARNING: G4IonisationParameters 138 G4cout << "WARNING: G4IonisationParameters::Excitation "
136 << "did not find ID = " 139 << "did not find ID = "
137 << Z << G4endl; 140 << Z << G4endl;
138 } 141 }
139 142
140 return value; 143 return value;
141 } 144 }
142 145
143 //....oooOO0OOooo........oooOO0OOooo........oo <<
144 146
145 void G4eIonisationParameters::LoadData() 147 void G4eIonisationParameters::LoadData()
146 { 148 {
147 // --------------------------------------- 149 // ---------------------------------------
148 // Please document what are the parameters 150 // Please document what are the parameters
149 // --------------------------------------- 151 // ---------------------------------------
150 152
151 // define active elements 153 // define active elements
152 154
153 const G4MaterialTable* materialTable = G4Mat 155 const G4MaterialTable* materialTable = G4Material::GetMaterialTable();
154 if (materialTable == nullptr) << 156 if (materialTable == 0)
155 G4Exception("G4eIonisationParameters::Loa << 157 G4Exception("G4eIonisationParameters: no MaterialTable found)");
156 "em1001",FatalException,"Unable to fin <<
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 m=0; m<nMaterials; m++) {
161 162
162 const G4Material* material= (*materialTabl << 163 const G4Material* material= (*materialTable)[m];
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 G4String excep("G4eIonisationParameters - G4LEDATA environment variable not set");
178 "em0006",FatalException,"G4LEDATA envi << 180 G4Exception(excep);
179 return; <<
180 } 181 }
181 182
182 G4String pathString(path); 183 G4String pathString(path);
183 G4String path2("/ioni/ion-sp-"); 184 G4String path2("/ioni/ion-sp-");
184 pathString += path2; 185 pathString += path2;
185 186
186 G4double energy, sum; 187 G4double energy, sum;
187 188
188 std::size_t nZ = activeZ.size(); << 189 size_t nZ = activeZ.size();
189 190
190 for (std::size_t i=0; i<nZ; ++i) { << 191 for (size_t i=0; i<nZ; i++) {
191 192
192 G4int Z = (G4int)activeZ[i]; 193 G4int Z = (G4int)activeZ[i];
193 std::ostringstream ost; 194 std::ostringstream ost;
194 ost << pathString << Z << ".dat"; 195 ost << pathString << Z << ".dat";
195 G4String name(ost.str()); 196 G4String name(ost.str());
196 197
197 std::ifstream file(name); 198 std::ifstream file(name);
198 std::filebuf* lsdp = file.rdbuf(); 199 std::filebuf* lsdp = file.rdbuf();
199 200
200 if (! (lsdp->is_open()) ) { 201 if (! (lsdp->is_open()) ) {
201 G4String excep = G4String("data file: ") << 202 G4String excep = G4String("G4IonisationParameters - data file: ")
202 + name + G4String(" not found"); << 203 + name + G4String(" not found. Please check and/or update G4LEDATA");
203 G4Exception("G4eIonisationParameters::Lo << 204 G4Exception(excep);
204 "em0003",FatalException,excep); <<
205 } 205 }
206 206
207 // The file is organized into: 207 // The file is organized into:
208 // For each shell there are two lines: 208 // For each shell there are two lines:
209 // 1st line: 209 // 1st line:
210 // 1st column is the energy of incident e- 210 // 1st column is the energy of incident e-,
211 // 2d column is the parameter of screan t 211 // 2d column is the parameter of screan term;
212 // 2d line: 212 // 2d line:
213 // 3 energy (MeV) subdividing different ap 213 // 3 energy (MeV) subdividing different approximation area of the spectrum
214 // 20 point on the spectrum 214 // 20 point on the spectrum
215 // The shell terminates with the pattern: 215 // The shell terminates with the pattern: -1 -1
216 // The file terminates with the pattern: - 216 // The file terminates with the pattern: -2 -2
217 217
218 std::vector<G4VEMDataSet*> p; 218 std::vector<G4VEMDataSet*> p;
219 for (std::size_t k=0; k<length; ++k) << 219 for (size_t k=0; k<length; k++)
220 { 220 {
221 G4VDataSetAlgorithm* inter = new G4LinLogLog 221 G4VDataSetAlgorithm* inter = new G4LinLogLogInterpolation();
222 G4VEMDataSet* composite = new G4CompositeEMD 222 G4VEMDataSet* composite = new G4CompositeEMDataSet(inter,1.,1.);
223 p.push_back(composite); 223 p.push_back(composite);
224 } 224 }
225 225
226 G4int shell = 0; 226 G4int shell = 0;
227 std::vector<G4DataVector*> a; 227 std::vector<G4DataVector*> a;
228 a.resize(length); 228 a.resize(length);
229 G4DataVector e; 229 G4DataVector e;
230 G4bool isReady = false; 230 G4bool isReady = false;
231 do { 231 do {
232 file >> energy >> sum; 232 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; 233 if (energy == -2) break;
243 234
244 if (energy > -1) { 235 if (energy > -1) {
245 // new energy 236 // new energy
246 if(!isReady) { 237 if(!isReady) {
247 isReady = true; 238 isReady = true;
248 e.clear(); 239 e.clear();
249 for (std::size_t j=0; j<length; ++j) { << 240 for (size_t j=0; j<length; ++j) {
250 a[j] = new G4DataVector(); 241 a[j] = new G4DataVector();
251 } 242 }
252 } 243 }
253 e.push_back(energy); 244 e.push_back(energy);
254 a[0]->push_back(sum); 245 a[0]->push_back(sum);
255 for (std::size_t j=1; j<length; ++j) { << 246 for (size_t j=1; j<length; ++j) {
256 G4double qRead; 247 G4double qRead;
257 file >> qRead; 248 file >> qRead;
258 a[j]->push_back(qRead); 249 a[j]->push_back(qRead);
259 } 250 }
260 251
261 } else { 252 } else {
262 253
263 // End of set for a shell, fill the ma 254 // End of set for a shell, fill the map
264 for (std::size_t k=0; k<length; ++k) { << 255 for (size_t k=0; k<length; k++) {
265 256
266 G4VDataSetAlgorithm* interp; 257 G4VDataSetAlgorithm* interp;
267 if(0 == k) { interp = new G4LinLogL 258 if(0 == k) { interp = new G4LinLogLogInterpolation(); }
268 else { interp = new G4LogLogI 259 else { interp = new G4LogLogInterpolation(); }
269 260
270 G4DataVector* eVector = new G4DataVector; 261 G4DataVector* eVector = new G4DataVector;
271 std::size_t eSize = e.size(); << 262 size_t eSize = e.size();
272 for (std::size_t sLocal=0; sLocal<eSize; + << 263 for (size_t s=0; s<eSize; s++) {
273 eVector->push_back(e[sLocal]); << 264 eVector->push_back(e[s]);
274 } 265 }
275 G4VEMDataSet* set = new G4EMDataSet(shell, 266 G4VEMDataSet* set = new G4EMDataSet(shell,eVector,a[k],interp,1.,1.);
276 267
277 p[k]->AddComponent(set); 268 p[k]->AddComponent(set);
278 } 269 }
279 270
280 // next shell 271 // next shell
281 ++shell; 272 ++shell;
282 isReady = false; 273 isReady = false;
283 } 274 }
284 } while (energy > -2); 275 } while (energy > -2);
285 276
286 file.close(); 277 file.close();
287 278
288 for (G4int kk=0; kk<(G4int)length; ++kk) << 279 for (size_t kk=0; kk<length; kk++)
289 { 280 {
290 G4int id = Z*100 + kk; << 281 G4int id = Z*100 + kk;
291 param[id] = p[kk]; << 282 param[id] = p[kk];
292 } 283 }
293 } 284 }
294 285
295 G4String pathString_a(path); 286 G4String pathString_a(path);
296 G4String name_a = pathString_a + G4String("/ 287 G4String name_a = pathString_a + G4String("/ioni/ion-ex-av.dat");
297 std::ifstream file_a(name_a); 288 std::ifstream file_a(name_a);
298 std::filebuf* lsdp_a = file_a.rdbuf(); 289 std::filebuf* lsdp_a = file_a.rdbuf();
299 G4String pathString_b(path); 290 G4String pathString_b(path);
300 G4String name_b = pathString_b + G4String("/ 291 G4String name_b = pathString_b + G4String("/ioni/ion-ex-sig.dat");
301 std::ifstream file_b(name_b); 292 std::ifstream file_b(name_b);
302 std::filebuf* lsdp_b = file_b.rdbuf(); 293 std::filebuf* lsdp_b = file_b.rdbuf();
303 294
304 if (! (lsdp_a->is_open()) ) { 295 if (! (lsdp_a->is_open()) ) {
305 G4String excep = G4String("cannot open fi << 296 G4String excep = G4String("G4eIonisationParameters: cannot open file ")
306 + name_a; 297 + name_a;
307 G4Exception("G4eIonisationParameters::Loa << 298 G4Exception(excep);
308 "em0003",FatalException,excep); <<
309 } 299 }
310 if (! (lsdp_b->is_open()) ) { 300 if (! (lsdp_b->is_open()) ) {
311 G4String excep = G4String("cannot open fi << 301 G4String excep = G4String("G4eIonisationParameters: cannot open file ")
312 + name_b; 302 + name_b;
313 G4Exception("G4eIonisationParameters::Loa << 303 G4Exception(excep);
314 "em0003",FatalException,excep); <<
315 } 304 }
316 305
317 // The file is organized into two columns: 306 // The file is organized into two columns:
318 // 1st column is the energy 307 // 1st column is the energy
319 // 2nd column is the corresponding value 308 // 2nd column is the corresponding value
320 // The file terminates with the pattern: -1 309 // The file terminates with the pattern: -1 -1
321 // -2 310 // -2 -2
322 311
323 G4double ener, ener1, sig, sig1; 312 G4double ener, ener1, sig, sig1;
324 G4int z = 0; 313 G4int z = 0;
325 314
326 G4DataVector e; 315 G4DataVector e;
327 e.clear(); 316 e.clear();
328 G4DataVector d; 317 G4DataVector d;
329 d.clear(); 318 d.clear();
330 319
331 do { 320 do {
332 file_a >> ener >> sig; 321 file_a >> ener >> sig;
333 file_b >> ener1 >> sig1; 322 file_b >> ener1 >> sig1;
334 323
335 if(ener != ener1) { 324 if(ener != ener1) {
336 G4cout << "G4eIonisationParameters: prob 325 G4cout << "G4eIonisationParameters: problem in excitation data "
337 << "ener= " << ener 326 << "ener= " << ener
338 << " ener1= " << ener1 327 << " ener1= " << ener1
339 << G4endl; 328 << G4endl;
340 } 329 }
341 330
342 // End of file 331 // End of file
343 if (ener == -2) { 332 if (ener == -2) {
344 break; 333 break;
345 334
346 // End of next element 335 // End of next element
347 } else if (ener == -1) { 336 } else if (ener == -1) {
348 337
349 z++; 338 z++;
350 G4double Z = (G4double)z; 339 G4double Z = (G4double)z;
351 340
352 // fill map if Z is used 341 // fill map if Z is used
353 if (activeZ.contains(Z)) { 342 if (activeZ.contains(Z)) {
354 343
355 G4VDataSetAlgorithm* inter = new G4LinInter 344 G4VDataSetAlgorithm* inter = new G4LinInterpolation();
356 G4DataVector* eVector = new G4DataVector; 345 G4DataVector* eVector = new G4DataVector;
357 G4DataVector* dVector = new G4DataVector; 346 G4DataVector* dVector = new G4DataVector;
358 std::size_t eSize = e.size(); << 347 size_t eSize = e.size();
359 for (std::size_t sLocal2=0; sLocal2<eSize; + << 348 for (size_t s=0; s<eSize; s++) {
360 eVector->push_back(e[sLocal2]); << 349 eVector->push_back(e[s]);
361 dVector->push_back(d[sLocal2]); << 350 dVector->push_back(d[s]);
362 } 351 }
363 G4VEMDataSet* set = new G4EMDataSet(z,eVecto 352 G4VEMDataSet* set = new G4EMDataSet(z,eVector,dVector,inter,1.,1.);
364 excit[z] = set; 353 excit[z] = set;
365 } 354 }
366 e.clear(); 355 e.clear();
367 d.clear(); 356 d.clear();
368 357
369 } else { 358 } else {
370 359
371 e.push_back(ener*MeV); 360 e.push_back(ener*MeV);
372 d.push_back(sig1*sig*barn*MeV); 361 d.push_back(sig1*sig*barn*MeV);
373 } 362 }
374 } while (ener != -2); 363 } while (ener != -2);
375 364
376 file_a.close(); 365 file_a.close();
377 366
378 } 367 }
379 368
380 //....oooOO0OOooo........oooOO0OOooo........oo <<
381 369
382 void G4eIonisationParameters::PrintData() cons 370 void G4eIonisationParameters::PrintData() const
383 { 371 {
384 G4cout << G4endl; 372 G4cout << G4endl;
385 G4cout << "===== G4eIonisationParameters === 373 G4cout << "===== G4eIonisationParameters =====" << G4endl;
386 G4cout << G4endl; 374 G4cout << G4endl;
387 375
388 std::size_t nZ = activeZ.size(); << 376 size_t nZ = activeZ.size();
389 std::map<G4int,G4VEMDataSet*,std::less<G4int 377 std::map<G4int,G4VEMDataSet*,std::less<G4int> >::const_iterator pos;
390 378
391 for (std::size_t i=0; i<nZ; i++) { << 379 for (size_t i=0; i<nZ; i++) {
392 G4int Z = (G4int)activeZ[i]; 380 G4int Z = (G4int)activeZ[i];
393 381
394 for (G4int j=0; j<(G4int)length; ++j) { << 382 for (size_t j=0; j<length; j++) {
395 383
396 G4int index = Z*100 + j; 384 G4int index = Z*100 + j;
397 385
398 pos = param.find(index); 386 pos = param.find(index);
399 if (pos!= param.cend()) { << 387 if (pos!= param.end()) {
400 G4VEMDataSet* dataSet = (*pos).second; 388 G4VEMDataSet* dataSet = (*pos).second;
401 std::size_t nShells = dataSet->NumberO << 389 size_t nShells = dataSet->NumberOfComponents();
402 390
403 for (G4int k=0; k<(G4int)nShells; ++k) << 391 for (size_t k=0; k<nShells; k++) {
404 392
405 G4cout << "===== Z= " << Z << " shel 393 G4cout << "===== Z= " << Z << " shell= " << k
406 << " parameter[" << j << "] 394 << " parameter[" << j << "] ====="
407 << G4endl; 395 << G4endl;
408 const G4VEMDataSet* comp = dataSet-> 396 const G4VEMDataSet* comp = dataSet->GetComponent(k);
409 comp->PrintData(); 397 comp->PrintData();
410 } 398 }
411 } 399 }
412 } 400 }
413 } 401 }
414 G4cout << "================================= 402 G4cout << "====================================" << G4endl;
415 } 403 }
416 404
417 405
418 406