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25 // 22 //
26 // 23 //
>> 24 // $Id: G4eIonisationParameters.cc,v 1.19 2002/05/30 17:53:09 vnivanch Exp $
>> 25 // GEANT4 tag $Name: geant4-05-01 $
27 // 26 //
28 // Author: Maria Grazia Pia (Maria.Grazia.Pia@ 27 // Author: Maria Grazia Pia (Maria.Grazia.Pia@cern.ch)
29 // 28 //
30 // History: 29 // History:
31 // ----------- 30 // -----------
32 // 31 Jul 2001 MGP Created, with dumm 31 // 31 Jul 2001 MGP Created, with dummy implementation
33 // 12.09.01 V.Ivanchenko Add param and inte << 32 // 12.09.01 V.Ivanchenko Add param and interpolation of parameters
34 // 04.10.01 V.Ivanchenko Add BindingEnergy << 33 // 04.10.01 V.Ivanchenko Add BindingEnergy method
35 // 25.10.01 MGP Many bug fixes, mo << 34 // 25.10.01 MGP Many bug fixes, mostly related to the
36 // management of poin 35 // management of pointers
37 // 29.11.01 V.Ivanchenko New parametrisatio << 36 // 29.11.01 V.Ivanchenko New parametrisation + Excitation
38 // 30.05.02 V.Ivanchenko Format and names o 37 // 30.05.02 V.Ivanchenko Format and names of the data files were
39 // chenged to "ion-.. << 38 // chenged to "ion-..."
40 // 17.02.04 V.Ivanchenko Increase buffer si <<
41 // 23.03.09 L.Pandola Updated warning me <<
42 // 03.12.10 V.Ivanchenko Fixed memory leak <<
43 // 39 //
44 // ------------------------------------------- 40 // -------------------------------------------------------------------
45 41
46 #include "G4eIonisationParameters.hh" 42 #include "G4eIonisationParameters.hh"
47 #include "G4SystemOfUnits.hh" <<
48 #include "G4VEMDataSet.hh" 43 #include "G4VEMDataSet.hh"
49 #include "G4ShellEMDataSet.hh" 44 #include "G4ShellEMDataSet.hh"
50 #include "G4EMDataSet.hh" 45 #include "G4EMDataSet.hh"
51 #include "G4CompositeEMDataSet.hh" 46 #include "G4CompositeEMDataSet.hh"
52 #include "G4LinInterpolation.hh" 47 #include "G4LinInterpolation.hh"
53 #include "G4LogLogInterpolation.hh" 48 #include "G4LogLogInterpolation.hh"
54 #include "G4LinLogLogInterpolation.hh" 49 #include "G4LinLogLogInterpolation.hh"
55 #include "G4SemiLogInterpolation.hh" 50 #include "G4SemiLogInterpolation.hh"
56 #include "G4Material.hh" 51 #include "G4Material.hh"
57 #include "G4DataVector.hh" 52 #include "G4DataVector.hh"
58 #include <fstream> << 53 #include "g4std/fstream"
59 #include <sstream> << 54 #include "g4std/strstream"
60 55
61 //....oooOO0OOooo........oooOO0OOooo........oo <<
62 56
63 G4eIonisationParameters:: G4eIonisationParamet << 57 G4eIonisationParameters:: G4eIonisationParameters(G4int minZ, G4int maxZ)
>> 58 : zMin(minZ), zMax(maxZ),
>> 59 length(24)
64 { 60 {
65 LoadData(); 61 LoadData();
66 } 62 }
67 63
68 //....oooOO0OOooo........oooOO0OOooo........oo <<
69 64
70 G4eIonisationParameters::~G4eIonisationParamet 65 G4eIonisationParameters::~G4eIonisationParameters()
71 { 66 {
72 // Reset the map of data sets: remove the da 67 // Reset the map of data sets: remove the data sets from the map
73 for (auto& pos : param) << 68 G4std::map<G4int,G4VEMDataSet*,G4std::less<G4int> >::iterator pos;
>> 69
>> 70 for (pos = param.begin(); pos != param.end(); ++pos)
74 { 71 {
75 G4VEMDataSet* dataSet = pos.second; << 72 G4VEMDataSet* dataSet = (*pos).second;
76 delete dataSet; 73 delete dataSet;
77 dataSet = nullptr; <<
78 } 74 }
79 for (auto& pos : excit) << 75
80 { << 76 for (pos = excit.begin(); pos != excit.end(); ++pos)
81 G4VEMDataSet* dataSet = pos.second; << 77 {
>> 78 G4VEMDataSet* dataSet = (*pos).second;
82 delete dataSet; 79 delete dataSet;
83 dataSet = nullptr; <<
84 } 80 }
>> 81
85 activeZ.clear(); 82 activeZ.clear();
86 } 83 }
87 84
88 //....oooOO0OOooo........oooOO0OOooo........oo <<
89 85
90 G4double G4eIonisationParameters::Parameter(G4 86 G4double G4eIonisationParameters::Parameter(G4int Z, G4int shellIndex,
91 87 G4int parameterIndex,
92 88 G4double e) const
93 { 89 {
94 G4double value = 0.; 90 G4double value = 0.;
95 G4int id = Z*100 + parameterIndex; 91 G4int id = Z*100 + parameterIndex;
>> 92 G4std::map<G4int,G4VEMDataSet*,G4std::less<G4int> >::const_iterator pos;
96 93
97 auto pos = param.find(id); << 94 pos = param.find(id);
98 if (pos!= param.end()) { 95 if (pos!= param.end()) {
99 G4VEMDataSet* dataSet = (*pos).second; 96 G4VEMDataSet* dataSet = (*pos).second;
100 G4int nShells = (G4int)dataSet->NumberOfCo << 97 G4int nShells = dataSet->NumberOfComponents();
101 98
102 if(shellIndex < nShells) { 99 if(shellIndex < nShells) {
103 const G4VEMDataSet* component = dataSet- 100 const G4VEMDataSet* component = dataSet->GetComponent(shellIndex);
104 const G4DataVector ener = component->Get 101 const G4DataVector ener = component->GetEnergies(0);
105 G4double ee = std::max(ener.front(),std: << 102 G4double ee = G4std::max(ener.front(),G4std::min(ener.back(),e));
106 value = component->FindValue(ee); 103 value = component->FindValue(ee);
107 } else { 104 } else {
108 G4cout << "WARNING: G4IonisationParamete 105 G4cout << "WARNING: G4IonisationParameters::FindParameter "
109 << "has no parameters for shell= 106 << "has no parameters for shell= " << shellIndex
110 << "; Z= " << Z 107 << "; Z= " << Z
111 << G4endl; 108 << G4endl;
112 } 109 }
113 } else { 110 } else {
114 G4cout << "WARNING: G4IonisationParameters 111 G4cout << "WARNING: G4IonisationParameters::Parameter "
115 << "did not find ID = " 112 << "did not find ID = "
116 << shellIndex << G4endl; 113 << shellIndex << G4endl;
117 } 114 }
118 115
119 return value; 116 return value;
120 } 117 }
121 118
122 //....oooOO0OOooo........oooOO0OOooo........oo <<
123 <<
124 G4double G4eIonisationParameters::Excitation(G 119 G4double G4eIonisationParameters::Excitation(G4int Z, G4double e) const
125 { 120 {
126 G4double value = 0.; 121 G4double value = 0.;
127 auto pos = excit.find(Z); << 122 G4std::map<G4int,G4VEMDataSet*,G4std::less<G4int> >::const_iterator pos;
>> 123
>> 124 pos = excit.find(Z);
128 if (pos!= excit.end()) { 125 if (pos!= excit.end()) {
129 G4VEMDataSet* dataSet = (*pos).second; 126 G4VEMDataSet* dataSet = (*pos).second;
130 127
131 const G4DataVector ener = dataSet->GetEner 128 const G4DataVector ener = dataSet->GetEnergies(0);
132 G4double ee = std::max(ener.front(),std::m << 129 G4double ee = G4std::max(ener.front(),G4std::min(ener.back(),e));
133 value = dataSet->FindValue(ee); 130 value = dataSet->FindValue(ee);
134 } else { 131 } else {
135 G4cout << "WARNING: G4IonisationParameters 132 G4cout << "WARNING: G4IonisationParameters::Excitation "
136 << "did not find ID = " 133 << "did not find ID = "
137 << Z << G4endl; 134 << Z << G4endl;
138 } 135 }
139 136
140 return value; 137 return value;
141 } 138 }
142 139
143 //....oooOO0OOooo........oooOO0OOooo........oo <<
144 140
145 void G4eIonisationParameters::LoadData() 141 void G4eIonisationParameters::LoadData()
146 { 142 {
147 // --------------------------------------- 143 // ---------------------------------------
148 // Please document what are the parameters 144 // Please document what are the parameters
149 // --------------------------------------- 145 // ---------------------------------------
150 146
151 // define active elements 147 // define active elements
152 148
153 const G4MaterialTable* materialTable = G4Mat 149 const G4MaterialTable* materialTable = G4Material::GetMaterialTable();
154 if (materialTable == nullptr) << 150 if (materialTable == 0)
155 G4Exception("G4eIonisationParameters::Loa << 151 G4Exception("G4eIonisationParameters: no MaterialTable found)");
156 "em1001",FatalException,"Unable to fin <<
157 152
158 std::size_t nMaterials = G4Material::GetNumb << 153 G4int nMaterials = G4Material::GetNumberOfMaterials();
159 154
160 for (std::size_t mLocal=0; mLocal<nMaterials << 155 for (G4int m=0; m<nMaterials; m++) {
161 156
162 const G4Material* material= (*materialTabl << 157 const G4Material* material= (*materialTable)[m];
163 const G4ElementVector* elementVector = mat 158 const G4ElementVector* elementVector = material->GetElementVector();
164 const std::size_t nElements = material->Ge << 159 const size_t nElements = material->GetNumberOfElements();
165 160
166 for (std::size_t iEl=0; iEl<nElements; ++i << 161 for (size_t iEl=0; iEl<nElements; iEl++) {
167 G4double Z = (*elementVector)[iEl]->GetZ << 162 G4Element* element = (*elementVector)[iEl];
>> 163 G4double Z = element->GetZ();
168 if (!(activeZ.contains(Z))) { 164 if (!(activeZ.contains(Z))) {
169 activeZ.push_back(Z); 165 activeZ.push_back(Z);
170 } 166 }
171 } 167 }
172 } 168 }
173 169
174 const char* path = G4FindDataDir("G4LEDATA") << 170 char* path = getenv("G4LEDATA");
175 if (!path) 171 if (!path)
176 { 172 {
177 G4Exception("G4BremsstrahlungParameters: << 173 G4String excep("G4eIonisationParameters - G4LEDATA environment variable not set");
178 "em0006",FatalException,"G4LEDATA envi << 174 G4Exception(excep);
179 return; <<
180 } 175 }
181 176
182 G4String pathString(path); 177 G4String pathString(path);
183 G4String path2("/ioni/ion-sp-"); 178 G4String path2("/ioni/ion-sp-");
184 pathString += path2; 179 pathString += path2;
185 180
186 G4double energy, sum; 181 G4double energy, sum;
187 182
188 std::size_t nZ = activeZ.size(); << 183 size_t nZ = activeZ.size();
189 184
190 for (std::size_t i=0; i<nZ; ++i) { << 185 for (size_t i=0; i<nZ; i++) {
191 186
192 G4int Z = (G4int)activeZ[i]; 187 G4int Z = (G4int)activeZ[i];
193 std::ostringstream ost; << 188 char nameChar[100] = {""};
>> 189 G4std::ostrstream ost(nameChar, 100, G4std::ios::out);
194 ost << pathString << Z << ".dat"; 190 ost << pathString << Z << ".dat";
195 G4String name(ost.str()); << 191 G4String name(nameChar);
196 << 192
197 std::ifstream file(name); << 193 G4std::ifstream file(name);
198 std::filebuf* lsdp = file.rdbuf(); << 194 G4std::filebuf* lsdp = file.rdbuf();
199 << 195
200 if (! (lsdp->is_open()) ) { 196 if (! (lsdp->is_open()) ) {
201 G4String excep = G4String("data file: ") << 197 G4String excep = G4String("G4IonisationParameters - data file: ")
202 + name + G4String(" not found"); << 198 + name + G4String(" not found. The version 1.# of G4LEDATA should be used");
203 G4Exception("G4eIonisationParameters::Lo << 199 G4Exception(excep);
204 "em0003",FatalException,excep); <<
205 } 200 }
206 201
207 // The file is organized into: 202 // The file is organized into:
208 // For each shell there are two lines: 203 // For each shell there are two lines:
209 // 1st line: 204 // 1st line:
210 // 1st column is the energy of incident e- << 205 // 1st column is the energy of incident e-,
211 // 2d column is the parameter of screan t 206 // 2d column is the parameter of screan term;
212 // 2d line: 207 // 2d line:
213 // 3 energy (MeV) subdividing different ap 208 // 3 energy (MeV) subdividing different approximation area of the spectrum
214 // 20 point on the spectrum 209 // 20 point on the spectrum
215 // The shell terminates with the pattern: 210 // The shell terminates with the pattern: -1 -1
216 // The file terminates with the pattern: - 211 // The file terminates with the pattern: -2 -2
217 212
218 std::vector<G4VEMDataSet*> p; << 213 G4std::vector<G4VEMDataSet*> p;
219 for (std::size_t k=0; k<length; ++k) << 214 for (size_t k=0; k<length; k++)
220 { 215 {
221 G4VDataSetAlgorithm* inter = new G4LinLogLog 216 G4VDataSetAlgorithm* inter = new G4LinLogLogInterpolation();
222 G4VEMDataSet* composite = new G4CompositeEMD 217 G4VEMDataSet* composite = new G4CompositeEMDataSet(inter,1.,1.);
223 p.push_back(composite); 218 p.push_back(composite);
224 } 219 }
225 220
226 G4int shell = 0; 221 G4int shell = 0;
227 std::vector<G4DataVector*> a; << 222 G4std::vector<G4DataVector*> a;
228 a.resize(length); << 223 for (size_t j=0; j<length; j++)
>> 224 {
>> 225 G4DataVector* aa = new G4DataVector();
>> 226 a.push_back(aa);
>> 227 }
229 G4DataVector e; 228 G4DataVector e;
230 G4bool isReady = false; << 229 e.clear();
231 do { 230 do {
232 file >> energy >> sum; 231 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; 232 if (energy == -2) break;
243 233
244 if (energy > -1) { 234 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); 235 e.push_back(energy);
254 a[0]->push_back(sum); 236 a[0]->push_back(sum);
255 for (std::size_t j=1; j<length; ++j) { << 237 for (size_t j=0; j<length-1; j++) {
256 G4double qRead; 238 G4double qRead;
257 file >> qRead; 239 file >> qRead;
258 a[j]->push_back(qRead); << 240 a[j + 1]->push_back(qRead);
259 } 241 }
260 242
261 } else { 243 } else {
262 244
263 // End of set for a shell, fill the ma 245 // End of set for a shell, fill the map
264 for (std::size_t k=0; k<length; ++k) { << 246 for (size_t k=0; k<length; k++) {
265 247
266 G4VDataSetAlgorithm* interp; 248 G4VDataSetAlgorithm* interp;
267 if(0 == k) { interp = new G4LinLogL << 249 if(0 == k) interp = new G4LinLogLogInterpolation();
268 else { interp = new G4LogLogI << 250 else interp = new G4LogLogInterpolation();
269 251
270 G4DataVector* eVector = new G4DataVector; 252 G4DataVector* eVector = new G4DataVector;
271 std::size_t eSize = e.size(); << 253 size_t eSize = e.size();
272 for (std::size_t sLocal=0; sLocal<eSize; + << 254 for (size_t s=0; s<eSize; s++) {
273 eVector->push_back(e[sLocal]); << 255 eVector->push_back(e[s]);
274 } 256 }
275 G4VEMDataSet* set = new G4EMDataSet(shell, 257 G4VEMDataSet* set = new G4EMDataSet(shell,eVector,a[k],interp,1.,1.);
276 258
277 p[k]->AddComponent(set); 259 p[k]->AddComponent(set);
278 } 260 }
279 261
280 // next shell << 262 // clear vectors
281 ++shell; << 263 for (size_t j2=0; j2<length; j2++) {
282 isReady = false; << 264 a[j2] = new G4DataVector();
>> 265 }
>> 266 shell++;
>> 267 e.clear();
283 } 268 }
284 } while (energy > -2); 269 } while (energy > -2);
285 270
286 file.close(); 271 file.close();
287 272
288 for (G4int kk=0; kk<(G4int)length; ++kk) << 273 for (size_t kk=0; kk<length; kk++)
289 { 274 {
290 G4int id = Z*100 + kk; << 275 G4int id = Z*100 + kk;
291 param[id] = p[kk]; << 276 param[id] = p[kk];
292 } 277 }
293 } 278 }
294 279
295 G4String pathString_a(path); 280 G4String pathString_a(path);
296 G4String name_a = pathString_a + G4String("/ 281 G4String name_a = pathString_a + G4String("/ioni/ion-ex-av.dat");
297 std::ifstream file_a(name_a); << 282 G4std::ifstream file_a(name_a);
298 std::filebuf* lsdp_a = file_a.rdbuf(); << 283 G4std::filebuf* lsdp_a = file_a.rdbuf();
299 G4String pathString_b(path); 284 G4String pathString_b(path);
300 G4String name_b = pathString_b + G4String("/ 285 G4String name_b = pathString_b + G4String("/ioni/ion-ex-sig.dat");
301 std::ifstream file_b(name_b); << 286 G4std::ifstream file_b(name_b);
302 std::filebuf* lsdp_b = file_b.rdbuf(); << 287 G4std::filebuf* lsdp_b = file_b.rdbuf();
303 288
304 if (! (lsdp_a->is_open()) ) { 289 if (! (lsdp_a->is_open()) ) {
305 G4String excep = G4String("cannot open fi << 290 G4String excep = G4String("G4eIonisationParameters: cannot open file ")
306 + name_a; 291 + name_a;
307 G4Exception("G4eIonisationParameters::Loa << 292 G4Exception(excep);
308 "em0003",FatalException,excep); <<
309 } 293 }
310 if (! (lsdp_b->is_open()) ) { 294 if (! (lsdp_b->is_open()) ) {
311 G4String excep = G4String("cannot open fi << 295 G4String excep = G4String("G4eIonisationParameters: cannot open file ")
312 + name_b; 296 + name_b;
313 G4Exception("G4eIonisationParameters::Loa << 297 G4Exception(excep);
314 "em0003",FatalException,excep); <<
315 } 298 }
316 299
317 // The file is organized into two columns: 300 // The file is organized into two columns:
318 // 1st column is the energy 301 // 1st column is the energy
319 // 2nd column is the corresponding value 302 // 2nd column is the corresponding value
320 // The file terminates with the pattern: -1 303 // The file terminates with the pattern: -1 -1
321 // -2 304 // -2 -2
322 305
323 G4double ener, ener1, sig, sig1; 306 G4double ener, ener1, sig, sig1;
324 G4int z = 0; 307 G4int z = 0;
325 308
326 G4DataVector e; 309 G4DataVector e;
327 e.clear(); 310 e.clear();
328 G4DataVector d; 311 G4DataVector d;
329 d.clear(); 312 d.clear();
330 313
331 do { 314 do {
332 file_a >> ener >> sig; 315 file_a >> ener >> sig;
333 file_b >> ener1 >> sig1; 316 file_b >> ener1 >> sig1;
334 317
335 if(ener != ener1) { 318 if(ener != ener1) {
336 G4cout << "G4eIonisationParameters: prob 319 G4cout << "G4eIonisationParameters: problem in excitation data "
337 << "ener= " << ener 320 << "ener= " << ener
338 << " ener1= " << ener1 321 << " ener1= " << ener1
339 << G4endl; 322 << G4endl;
340 } 323 }
341 << 324
342 // End of file 325 // End of file
343 if (ener == -2) { 326 if (ener == -2) {
344 break; 327 break;
345 328
346 // End of next element 329 // End of next element
347 } else if (ener == -1) { 330 } else if (ener == -1) {
348 331
349 z++; 332 z++;
350 G4double Z = (G4double)z; 333 G4double Z = (G4double)z;
351 334
352 // fill map if Z is used 335 // fill map if Z is used
353 if (activeZ.contains(Z)) { 336 if (activeZ.contains(Z)) {
354 337
355 G4VDataSetAlgorithm* inter = new G4LinInter 338 G4VDataSetAlgorithm* inter = new G4LinInterpolation();
356 G4DataVector* eVector = new G4DataVector; 339 G4DataVector* eVector = new G4DataVector;
357 G4DataVector* dVector = new G4DataVector; 340 G4DataVector* dVector = new G4DataVector;
358 std::size_t eSize = e.size(); << 341 size_t eSize = e.size();
359 for (std::size_t sLocal2=0; sLocal2<eSize; + << 342 for (size_t s=0; s<eSize; s++) {
360 eVector->push_back(e[sLocal2]); << 343 eVector->push_back(e[s]);
361 dVector->push_back(d[sLocal2]); << 344 dVector->push_back(d[s]);
362 } 345 }
363 G4VEMDataSet* set = new G4EMDataSet(z,eVecto 346 G4VEMDataSet* set = new G4EMDataSet(z,eVector,dVector,inter,1.,1.);
364 excit[z] = set; 347 excit[z] = set;
365 } 348 }
366 e.clear(); 349 e.clear();
367 d.clear(); 350 d.clear();
368 351
369 } else { 352 } else {
370 353
371 e.push_back(ener*MeV); 354 e.push_back(ener*MeV);
372 d.push_back(sig1*sig*barn*MeV); 355 d.push_back(sig1*sig*barn*MeV);
373 } 356 }
374 } while (ener != -2); 357 } while (ener != -2);
375 358
376 file_a.close(); 359 file_a.close();
377 360
378 } 361 }
379 362
380 //....oooOO0OOooo........oooOO0OOooo........oo <<
381 363
382 void G4eIonisationParameters::PrintData() cons 364 void G4eIonisationParameters::PrintData() const
383 { 365 {
384 G4cout << G4endl; 366 G4cout << G4endl;
385 G4cout << "===== G4eIonisationParameters === 367 G4cout << "===== G4eIonisationParameters =====" << G4endl;
386 G4cout << G4endl; 368 G4cout << G4endl;
387 369
388 std::size_t nZ = activeZ.size(); << 370 size_t nZ = activeZ.size();
389 std::map<G4int,G4VEMDataSet*,std::less<G4int << 371 G4std::map<G4int,G4VEMDataSet*,G4std::less<G4int> >::const_iterator pos;
390 372
391 for (std::size_t i=0; i<nZ; i++) { << 373 for (size_t i=0; i<nZ; i++) {
392 G4int Z = (G4int)activeZ[i]; 374 G4int Z = (G4int)activeZ[i];
393 375
394 for (G4int j=0; j<(G4int)length; ++j) { << 376 for (size_t j=0; j<length; j++) {
395 377
396 G4int index = Z*100 + j; 378 G4int index = Z*100 + j;
397 379
398 pos = param.find(index); 380 pos = param.find(index);
399 if (pos!= param.cend()) { << 381 if (pos!= param.end()) {
400 G4VEMDataSet* dataSet = (*pos).second; 382 G4VEMDataSet* dataSet = (*pos).second;
401 std::size_t nShells = dataSet->NumberO << 383 size_t nShells = dataSet->NumberOfComponents();
402 384
403 for (G4int k=0; k<(G4int)nShells; ++k) << 385 for (size_t k=0; k<nShells; k++) {
404 386
405 G4cout << "===== Z= " << Z << " shel 387 G4cout << "===== Z= " << Z << " shell= " << k
406 << " parameter[" << j << "] 388 << " parameter[" << j << "] ====="
407 << G4endl; 389 << G4endl;
408 const G4VEMDataSet* comp = dataSet-> 390 const G4VEMDataSet* comp = dataSet->GetComponent(k);
409 comp->PrintData(); 391 comp->PrintData();
410 } 392 }
411 } 393 }
412 } 394 }
413 } 395 }
414 G4cout << "================================= 396 G4cout << "====================================" << G4endl;
415 } 397 }
416 398
417 399
418 400