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25 // 25 //
26 // 26 //
>> 27 // $Id$
27 // 28 //
28 // Author: Maria Grazia Pia (Maria.Grazia.Pia@ 29 // Author: Maria Grazia Pia (Maria.Grazia.Pia@cern.ch)
29 // 30 //
30 // History: 31 // History:
31 // ----------- 32 // -----------
32 // 31 Jul 2001 MGP Created, with dumm 33 // 31 Jul 2001 MGP Created, with dummy implementation
33 // 12.09.01 V.Ivanchenko Add param and inte 34 // 12.09.01 V.Ivanchenko Add param and interpolation of parameters
34 // 04.10.01 V.Ivanchenko Add BindingEnergy 35 // 04.10.01 V.Ivanchenko Add BindingEnergy method
35 // 25.10.01 MGP Many bug fixes, mo 36 // 25.10.01 MGP Many bug fixes, mostly related to the
36 // management of poin 37 // management of pointers
37 // 29.11.01 V.Ivanchenko New parametrisatio 38 // 29.11.01 V.Ivanchenko New parametrisation + Excitation
38 // 30.05.02 V.Ivanchenko Format and names o 39 // 30.05.02 V.Ivanchenko Format and names of the data files were
39 // chenged to "ion-.. 40 // chenged to "ion-..."
40 // 17.02.04 V.Ivanchenko Increase buffer si 41 // 17.02.04 V.Ivanchenko Increase buffer size
41 // 23.03.09 L.Pandola Updated warning me 42 // 23.03.09 L.Pandola Updated warning message
42 // 03.12.10 V.Ivanchenko Fixed memory leak 43 // 03.12.10 V.Ivanchenko Fixed memory leak in LoadData
43 // 44 //
44 // ------------------------------------------- 45 // -------------------------------------------------------------------
45 46
46 #include "G4eIonisationParameters.hh" 47 #include "G4eIonisationParameters.hh"
47 #include "G4SystemOfUnits.hh" 48 #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::LoadData",
156 "em1001",FatalException,"Unable to fin 158 "em1001",FatalException,"Unable to find MaterialTable");
157 159
158 std::size_t nMaterials = G4Material::GetNumb << 160 G4int nMaterials = G4Material::GetNumberOfMaterials();
159 161
160 for (std::size_t mLocal=0; mLocal<nMaterials << 162 for (G4int mLocal=0; mLocal<nMaterials; mLocal++) {
161 163
162 const G4Material* material= (*materialTabl 164 const G4Material* material= (*materialTable)[mLocal];
163 const G4ElementVector* elementVector = mat 165 const G4ElementVector* elementVector = material->GetElementVector();
164 const std::size_t nElements = material->Ge << 166 const size_t nElements = material->GetNumberOfElements();
165 167
166 for (std::size_t iEl=0; iEl<nElements; ++i << 168 for (size_t iEl=0; iEl<nElements; iEl++) {
167 G4double Z = (*elementVector)[iEl]->GetZ << 169 G4Element* element = (*elementVector)[iEl];
>> 170 G4double Z = element->GetZ();
168 if (!(activeZ.contains(Z))) { 171 if (!(activeZ.contains(Z))) {
169 activeZ.push_back(Z); 172 activeZ.push_back(Z);
170 } 173 }
171 } 174 }
172 } 175 }
173 176
174 const char* path = G4FindDataDir("G4LEDATA") << 177 char* path = getenv("G4LEDATA");
175 if (!path) 178 if (!path)
176 { 179 {
177 G4Exception("G4BremsstrahlungParameters: 180 G4Exception("G4BremsstrahlungParameters::LoadData",
178 "em0006",FatalException,"G4LEDATA envi 181 "em0006",FatalException,"G4LEDATA environment variable not set");
179 return; 182 return;
180 } 183 }
181 184
182 G4String pathString(path); 185 G4String pathString(path);
183 G4String path2("/ioni/ion-sp-"); 186 G4String path2("/ioni/ion-sp-");
184 pathString += path2; 187 pathString += path2;
185 188
186 G4double energy, sum; 189 G4double energy, sum;
187 190
188 std::size_t nZ = activeZ.size(); << 191 size_t nZ = activeZ.size();
189 192
190 for (std::size_t i=0; i<nZ; ++i) { << 193 for (size_t i=0; i<nZ; i++) {
191 194
192 G4int Z = (G4int)activeZ[i]; 195 G4int Z = (G4int)activeZ[i];
193 std::ostringstream ost; 196 std::ostringstream ost;
194 ost << pathString << Z << ".dat"; 197 ost << pathString << Z << ".dat";
195 G4String name(ost.str()); 198 G4String name(ost.str());
196 199
197 std::ifstream file(name); 200 std::ifstream file(name);
198 std::filebuf* lsdp = file.rdbuf(); 201 std::filebuf* lsdp = file.rdbuf();
199 202
200 if (! (lsdp->is_open()) ) { 203 if (! (lsdp->is_open()) ) {
201 G4String excep = G4String("data file: ") 204 G4String excep = G4String("data file: ")
202 + name + G4String(" not found"); 205 + name + G4String(" not found");
203 G4Exception("G4eIonisationParameters::Lo 206 G4Exception("G4eIonisationParameters::LoadData",
204 "em0003",FatalException,excep); 207 "em0003",FatalException,excep);
205 } 208 }
206 209
207 // The file is organized into: 210 // The file is organized into:
208 // For each shell there are two lines: 211 // For each shell there are two lines:
209 // 1st line: 212 // 1st line:
210 // 1st column is the energy of incident e- 213 // 1st column is the energy of incident e-,
211 // 2d column is the parameter of screan t 214 // 2d column is the parameter of screan term;
212 // 2d line: 215 // 2d line:
213 // 3 energy (MeV) subdividing different ap 216 // 3 energy (MeV) subdividing different approximation area of the spectrum
214 // 20 point on the spectrum 217 // 20 point on the spectrum
215 // The shell terminates with the pattern: 218 // The shell terminates with the pattern: -1 -1
216 // The file terminates with the pattern: - 219 // The file terminates with the pattern: -2 -2
217 220
218 std::vector<G4VEMDataSet*> p; 221 std::vector<G4VEMDataSet*> p;
219 for (std::size_t k=0; k<length; ++k) << 222 for (size_t k=0; k<length; k++)
220 { 223 {
221 G4VDataSetAlgorithm* inter = new G4LinLogLog 224 G4VDataSetAlgorithm* inter = new G4LinLogLogInterpolation();
222 G4VEMDataSet* composite = new G4CompositeEMD 225 G4VEMDataSet* composite = new G4CompositeEMDataSet(inter,1.,1.);
223 p.push_back(composite); 226 p.push_back(composite);
224 } 227 }
225 228
226 G4int shell = 0; 229 G4int shell = 0;
227 std::vector<G4DataVector*> a; 230 std::vector<G4DataVector*> a;
228 a.resize(length); 231 a.resize(length);
229 G4DataVector e; 232 G4DataVector e;
230 G4bool isReady = false; 233 G4bool isReady = false;
231 do { 234 do {
232 file >> energy >> sum; 235 file >> energy >> sum;
233 //Check if energy is valid 236 //Check if energy is valid
234 if (energy < -2) 237 if (energy < -2)
235 { 238 {
236 G4String excep("invalid data file"); 239 G4String excep("invalid data file");
237 G4Exception("G4eIonisationParameters 240 G4Exception("G4eIonisationParameters::LoadData",
238 "em0005",FatalException,excep); 241 "em0005",FatalException,excep);
239 return; 242 return;
240 } 243 }
241 244
242 if (energy == -2) break; 245 if (energy == -2) break;
243 246
244 if (energy > -1) { 247 if (energy > -1) {
245 // new energy 248 // new energy
246 if(!isReady) { 249 if(!isReady) {
247 isReady = true; 250 isReady = true;
248 e.clear(); 251 e.clear();
249 for (std::size_t j=0; j<length; ++j) { << 252 for (size_t j=0; j<length; ++j) {
250 a[j] = new G4DataVector(); 253 a[j] = new G4DataVector();
251 } 254 }
252 } 255 }
253 e.push_back(energy); 256 e.push_back(energy);
254 a[0]->push_back(sum); 257 a[0]->push_back(sum);
255 for (std::size_t j=1; j<length; ++j) { << 258 for (size_t j=1; j<length; ++j) {
256 G4double qRead; 259 G4double qRead;
257 file >> qRead; 260 file >> qRead;
258 a[j]->push_back(qRead); 261 a[j]->push_back(qRead);
259 } 262 }
260 263
261 } else { 264 } else {
262 265
263 // End of set for a shell, fill the ma 266 // End of set for a shell, fill the map
264 for (std::size_t k=0; k<length; ++k) { << 267 for (size_t k=0; k<length; k++) {
265 268
266 G4VDataSetAlgorithm* interp; 269 G4VDataSetAlgorithm* interp;
267 if(0 == k) { interp = new G4LinLogL 270 if(0 == k) { interp = new G4LinLogLogInterpolation(); }
268 else { interp = new G4LogLogI 271 else { interp = new G4LogLogInterpolation(); }
269 272
270 G4DataVector* eVector = new G4DataVector; 273 G4DataVector* eVector = new G4DataVector;
271 std::size_t eSize = e.size(); << 274 size_t eSize = e.size();
272 for (std::size_t sLocal=0; sLocal<eSize; + << 275 for (size_t sLocal=0; sLocal<eSize; sLocal++) {
273 eVector->push_back(e[sLocal]); 276 eVector->push_back(e[sLocal]);
274 } 277 }
275 G4VEMDataSet* set = new G4EMDataSet(shell, 278 G4VEMDataSet* set = new G4EMDataSet(shell,eVector,a[k],interp,1.,1.);
276 279
277 p[k]->AddComponent(set); 280 p[k]->AddComponent(set);
278 } 281 }
279 282
280 // next shell 283 // next shell
281 ++shell; 284 ++shell;
282 isReady = false; 285 isReady = false;
283 } 286 }
284 } while (energy > -2); 287 } while (energy > -2);
285 288
286 file.close(); 289 file.close();
287 290
288 for (G4int kk=0; kk<(G4int)length; ++kk) << 291 for (size_t kk=0; kk<length; kk++)
289 { 292 {
290 G4int id = Z*100 + kk; << 293 G4int id = Z*100 + kk;
291 param[id] = p[kk]; << 294 param[id] = p[kk];
292 } 295 }
293 } 296 }
294 297
295 G4String pathString_a(path); 298 G4String pathString_a(path);
296 G4String name_a = pathString_a + G4String("/ 299 G4String name_a = pathString_a + G4String("/ioni/ion-ex-av.dat");
297 std::ifstream file_a(name_a); 300 std::ifstream file_a(name_a);
298 std::filebuf* lsdp_a = file_a.rdbuf(); 301 std::filebuf* lsdp_a = file_a.rdbuf();
299 G4String pathString_b(path); 302 G4String pathString_b(path);
300 G4String name_b = pathString_b + G4String("/ 303 G4String name_b = pathString_b + G4String("/ioni/ion-ex-sig.dat");
301 std::ifstream file_b(name_b); 304 std::ifstream file_b(name_b);
302 std::filebuf* lsdp_b = file_b.rdbuf(); 305 std::filebuf* lsdp_b = file_b.rdbuf();
303 306
304 if (! (lsdp_a->is_open()) ) { 307 if (! (lsdp_a->is_open()) ) {
305 G4String excep = G4String("cannot open fi 308 G4String excep = G4String("cannot open file ")
306 + name_a; 309 + name_a;
307 G4Exception("G4eIonisationParameters::Loa 310 G4Exception("G4eIonisationParameters::LoadData",
308 "em0003",FatalException,excep); 311 "em0003",FatalException,excep);
309 } 312 }
310 if (! (lsdp_b->is_open()) ) { 313 if (! (lsdp_b->is_open()) ) {
311 G4String excep = G4String("cannot open fi 314 G4String excep = G4String("cannot open file ")
312 + name_b; 315 + name_b;
313 G4Exception("G4eIonisationParameters::Loa 316 G4Exception("G4eIonisationParameters::LoadData",
314 "em0003",FatalException,excep); 317 "em0003",FatalException,excep);
315 } 318 }
316 319
317 // The file is organized into two columns: 320 // The file is organized into two columns:
318 // 1st column is the energy 321 // 1st column is the energy
319 // 2nd column is the corresponding value 322 // 2nd column is the corresponding value
320 // The file terminates with the pattern: -1 323 // The file terminates with the pattern: -1 -1
321 // -2 324 // -2 -2
322 325
323 G4double ener, ener1, sig, sig1; 326 G4double ener, ener1, sig, sig1;
324 G4int z = 0; 327 G4int z = 0;
325 328
326 G4DataVector e; 329 G4DataVector e;
327 e.clear(); 330 e.clear();
328 G4DataVector d; 331 G4DataVector d;
329 d.clear(); 332 d.clear();
330 333
331 do { 334 do {
332 file_a >> ener >> sig; 335 file_a >> ener >> sig;
333 file_b >> ener1 >> sig1; 336 file_b >> ener1 >> sig1;
334 337
335 if(ener != ener1) { 338 if(ener != ener1) {
336 G4cout << "G4eIonisationParameters: prob 339 G4cout << "G4eIonisationParameters: problem in excitation data "
337 << "ener= " << ener 340 << "ener= " << ener
338 << " ener1= " << ener1 341 << " ener1= " << ener1
339 << G4endl; 342 << G4endl;
340 } 343 }
341 344
342 // End of file 345 // End of file
343 if (ener == -2) { 346 if (ener == -2) {
344 break; 347 break;
345 348
346 // End of next element 349 // End of next element
347 } else if (ener == -1) { 350 } else if (ener == -1) {
348 351
349 z++; 352 z++;
350 G4double Z = (G4double)z; 353 G4double Z = (G4double)z;
351 354
352 // fill map if Z is used 355 // fill map if Z is used
353 if (activeZ.contains(Z)) { 356 if (activeZ.contains(Z)) {
354 357
355 G4VDataSetAlgorithm* inter = new G4LinInter 358 G4VDataSetAlgorithm* inter = new G4LinInterpolation();
356 G4DataVector* eVector = new G4DataVector; 359 G4DataVector* eVector = new G4DataVector;
357 G4DataVector* dVector = new G4DataVector; 360 G4DataVector* dVector = new G4DataVector;
358 std::size_t eSize = e.size(); << 361 size_t eSize = e.size();
359 for (std::size_t sLocal2=0; sLocal2<eSize; + << 362 for (size_t sLocal2=0; sLocal2<eSize; sLocal2++) {
360 eVector->push_back(e[sLocal2]); 363 eVector->push_back(e[sLocal2]);
361 dVector->push_back(d[sLocal2]); 364 dVector->push_back(d[sLocal2]);
362 } 365 }
363 G4VEMDataSet* set = new G4EMDataSet(z,eVecto 366 G4VEMDataSet* set = new G4EMDataSet(z,eVector,dVector,inter,1.,1.);
364 excit[z] = set; 367 excit[z] = set;
365 } 368 }
366 e.clear(); 369 e.clear();
367 d.clear(); 370 d.clear();
368 371
369 } else { 372 } else {
370 373
371 e.push_back(ener*MeV); 374 e.push_back(ener*MeV);
372 d.push_back(sig1*sig*barn*MeV); 375 d.push_back(sig1*sig*barn*MeV);
373 } 376 }
374 } while (ener != -2); 377 } while (ener != -2);
375 378
376 file_a.close(); 379 file_a.close();
377 380
378 } 381 }
379 382
380 //....oooOO0OOooo........oooOO0OOooo........oo <<
381 383
382 void G4eIonisationParameters::PrintData() cons 384 void G4eIonisationParameters::PrintData() const
383 { 385 {
384 G4cout << G4endl; 386 G4cout << G4endl;
385 G4cout << "===== G4eIonisationParameters === 387 G4cout << "===== G4eIonisationParameters =====" << G4endl;
386 G4cout << G4endl; 388 G4cout << G4endl;
387 389
388 std::size_t nZ = activeZ.size(); << 390 size_t nZ = activeZ.size();
389 std::map<G4int,G4VEMDataSet*,std::less<G4int 391 std::map<G4int,G4VEMDataSet*,std::less<G4int> >::const_iterator pos;
390 392
391 for (std::size_t i=0; i<nZ; i++) { << 393 for (size_t i=0; i<nZ; i++) {
392 G4int Z = (G4int)activeZ[i]; 394 G4int Z = (G4int)activeZ[i];
393 395
394 for (G4int j=0; j<(G4int)length; ++j) { << 396 for (size_t j=0; j<length; j++) {
395 397
396 G4int index = Z*100 + j; 398 G4int index = Z*100 + j;
397 399
398 pos = param.find(index); 400 pos = param.find(index);
399 if (pos!= param.cend()) { << 401 if (pos!= param.end()) {
400 G4VEMDataSet* dataSet = (*pos).second; 402 G4VEMDataSet* dataSet = (*pos).second;
401 std::size_t nShells = dataSet->NumberO << 403 size_t nShells = dataSet->NumberOfComponents();
402 404
403 for (G4int k=0; k<(G4int)nShells; ++k) << 405 for (size_t k=0; k<nShells; k++) {
404 406
405 G4cout << "===== Z= " << Z << " shel 407 G4cout << "===== Z= " << Z << " shell= " << k
406 << " parameter[" << j << "] 408 << " parameter[" << j << "] ====="
407 << G4endl; 409 << G4endl;
408 const G4VEMDataSet* comp = dataSet-> 410 const G4VEMDataSet* comp = dataSet->GetComponent(k);
409 comp->PrintData(); 411 comp->PrintData();
410 } 412 }
411 } 413 }
412 } 414 }
413 } 415 }
414 G4cout << "================================= 416 G4cout << "====================================" << G4endl;
415 } 417 }
416 418
417 419
418 420