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17 // * 17 // * *
18 // * This code implementation is the result 18 // * This code implementation is the result of the scientific and *
19 // * technical work of the GEANT4 collaboratio 19 // * technical work of the GEANT4 collaboration. *
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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 32 // 31 Jul 2001 MGP Created
33 // 31 Jul 2008 MGP Revised and rename 33 // 31 Jul 2008 MGP Revised and renamed to G4DataSet
34 // 34 //
35 // ------------------------------------------- 35 // -------------------------------------------------------------------
36 36
37 #include "G4DataSet.hh" 37 #include "G4DataSet.hh"
38 #include "G4IInterpolator.hh" 38 #include "G4IInterpolator.hh"
39 #include <fstream> 39 #include <fstream>
40 #include <sstream> 40 #include <sstream>
41 #include "G4Integrator.hh" 41 #include "G4Integrator.hh"
42 #include "Randomize.hh" 42 #include "Randomize.hh"
43 #include "G4LinInterpolation.hh" 43 #include "G4LinInterpolation.hh"
44 44
45 45
46 G4DataSet::G4DataSet(G4int Z, 46 G4DataSet::G4DataSet(G4int Z,
47 G4IInterpolator* algo, 47 G4IInterpolator* algo,
48 G4double xUnit, 48 G4double xUnit,
49 G4double yUnit, 49 G4double yUnit,
50 G4bool random): 50 G4bool random):
51 z(Z), 51 z(Z),
52 energies(0), 52 energies(0),
53 data(0), 53 data(0),
54 algorithm(algo), 54 algorithm(algo),
55 unitEnergies(xUnit), 55 unitEnergies(xUnit),
56 unitData(yUnit), 56 unitData(yUnit),
57 pdf(0), 57 pdf(0),
58 randomSet(random) 58 randomSet(random)
59 { 59 {
60 if (algorithm == 0) G4Exception("G4DataSet:: 60 if (algorithm == 0) G4Exception("G4DataSet::G4DataSet",
61 "pii00000101", 61 "pii00000101",
62 FatalException, 62 FatalException,
63 "Interpolation == 0"); 63 "Interpolation == 0");
64 if (randomSet) BuildPdf(); 64 if (randomSet) BuildPdf();
65 } 65 }
66 66
67 G4DataSet::G4DataSet(G4int argZ, 67 G4DataSet::G4DataSet(G4int argZ,
68 G4DataVector* dataX, 68 G4DataVector* dataX,
69 G4DataVector* dataY, 69 G4DataVector* dataY,
70 G4IInterpolator* algo, 70 G4IInterpolator* algo,
71 G4double xUnit, 71 G4double xUnit,
72 G4double yUnit, 72 G4double yUnit,
73 G4bool random): 73 G4bool random):
74 z(argZ), 74 z(argZ),
75 energies(dataX), 75 energies(dataX),
76 data(dataY), 76 data(dataY),
77 algorithm(algo), 77 algorithm(algo),
78 unitEnergies(xUnit), 78 unitEnergies(xUnit),
79 unitData(yUnit), 79 unitData(yUnit),
80 pdf(0), 80 pdf(0),
81 randomSet(random) 81 randomSet(random)
82 { 82 {
83 if (algorithm == 0) G4Exception("G4DataSet:: 83 if (algorithm == 0) G4Exception("G4DataSet::G4DataSet",
84 "pii00000110", 84 "pii00000110",
85 FatalException, 85 FatalException,
86 "Interpolation == 0"); 86 "Interpolation == 0");
87 87
88 if ((energies == 0) ^ (data == 0)) 88 if ((energies == 0) ^ (data == 0))
89 G4Exception("G4DataSet::G4DataSet", 89 G4Exception("G4DataSet::G4DataSet",
90 "pii00000111-", 90 "pii00000111-",
91 FatalException, 91 FatalException,
92 "different size for energies and data (zer 92 "different size for energies and data (zero case)");
93 93
94 if (energies == 0) return; 94 if (energies == 0) return;
95 95
96 if (energies->size() != data->size()) 96 if (energies->size() != data->size())
97 G4Exception("G4DataSet::G4DataSet", 97 G4Exception("G4DataSet::G4DataSet",
98 "pii00000112", 98 "pii00000112",
99 FatalException, 99 FatalException,
100 "different size for energies and data"); 100 "different size for energies and data");
101 101
102 if (randomSet) BuildPdf(); 102 if (randomSet) BuildPdf();
103 } 103 }
104 104
105 G4DataSet::~G4DataSet() 105 G4DataSet::~G4DataSet()
106 { 106 {
107 delete algorithm; 107 delete algorithm;
108 if (energies) delete energies; 108 if (energies) delete energies;
109 if (data) delete data; 109 if (data) delete data;
110 if (pdf) delete pdf; 110 if (pdf) delete pdf;
111 } 111 }
112 112
113 G4double G4DataSet::FindValue(G4double energy, 113 G4double G4DataSet::FindValue(G4double energy, G4int /* componentId */) const
114 { 114 {
115 if (!energies) G4Exception("G4DataSet::FindV 115 if (!energies) G4Exception("G4DataSet::FindValue",
116 "pii00000120", 116 "pii00000120",
117 FatalException, 117 FatalException,
118 "energies == 0"); 118 "energies == 0");
119 if (energies->empty()) return 0; 119 if (energies->empty()) return 0;
120 if (energy <= (*energies)[0]) return (*data) 120 if (energy <= (*energies)[0]) return (*data)[0];
121 121
122 std::size_t i = energies->size()-1; << 122 size_t i = energies->size()-1;
123 if (energy >= (*energies)[i]) return (*data) 123 if (energy >= (*energies)[i]) return (*data)[i];
124 124
125 G4double interpolated = algorithm->Calculate << 125 G4double interpolated = algorithm->Calculate(energy,FindLowerBound(energy),*energies,*data);
126 return interpolated; 126 return interpolated;
127 } 127 }
128 128
129 129
130 void G4DataSet::PrintData(void) const 130 void G4DataSet::PrintData(void) const
131 { 131 {
132 if (!energies) 132 if (!energies)
133 { 133 {
134 G4cout << "Data not available." << G4end 134 G4cout << "Data not available." << G4endl;
135 } 135 }
136 else 136 else
137 { 137 {
138 std::size_t size = energies->size(); << 138 size_t size = energies->size();
139 for (std::size_t i(0); i<size; i++) << 139 for (size_t i(0); i<size; i++)
140 { 140 {
141 G4cout << "Point: " << ((*energies)[i]/uni 141 G4cout << "Point: " << ((*energies)[i]/unitEnergies)
142 << " - Data value: " << ((*data)[i]/unitD 142 << " - Data value: " << ((*data)[i]/unitData);
143 if (pdf != 0) G4cout << " - PDF : " << (*p 143 if (pdf != 0) G4cout << " - PDF : " << (*pdf)[i];
144 G4cout << G4endl; 144 G4cout << G4endl;
145 } 145 }
146 } 146 }
147 } 147 }
148 148
149 149
150 void G4DataSet::SetEnergiesData(G4DataVector* 150 void G4DataSet::SetEnergiesData(G4DataVector* dataX,
151 G4DataVector* dataY, 151 G4DataVector* dataY,
152 G4int /* componentId */) 152 G4int /* componentId */)
153 { 153 {
154 if (energies) delete energies; 154 if (energies) delete energies;
155 energies = dataX; 155 energies = dataX;
156 156
157 if (data) delete data; 157 if (data) delete data;
158 data = dataY; 158 data = dataY;
159 159
160 if ((energies == 0) ^ (data==0)) 160 if ((energies == 0) ^ (data==0))
161 G4Exception("G4DataSet::SetEnergiesData", 161 G4Exception("G4DataSet::SetEnergiesData",
162 "pii00000130", 162 "pii00000130",
163 FatalException, 163 FatalException,
164 "different size for energies and data (zer 164 "different size for energies and data (zero case)");
165 165
166 if (energies == 0) return; 166 if (energies == 0) return;
167 167
168 if (energies->size() != data->size()) 168 if (energies->size() != data->size())
169 G4Exception("G4DataSet::SetEnergiesData", 169 G4Exception("G4DataSet::SetEnergiesData",
170 "pii00000131", 170 "pii00000131",
171 FatalException, 171 FatalException,
172 "different size for energies and data"); 172 "different size for energies and data");
173 } 173 }
174 174
175 G4bool G4DataSet::LoadData(const G4String& fil 175 G4bool G4DataSet::LoadData(const G4String& fileName)
176 { 176 {
177 // The file is organized into two columns: 177 // The file is organized into two columns:
178 // 1st column is the energy 178 // 1st column is the energy
179 // 2nd column is the corresponding value 179 // 2nd column is the corresponding value
180 // The file terminates with the pattern: -1 180 // The file terminates with the pattern: -1 -1
181 // -2 181 // -2 -2
182 182
183 G4String fullFileName(FullFileName(fileName) 183 G4String fullFileName(FullFileName(fileName));
184 std::ifstream in(fullFileName); 184 std::ifstream in(fullFileName);
185 185
186 if (!in.is_open()) 186 if (!in.is_open())
187 { 187 {
188 188
189 std::ostringstream message; 189 std::ostringstream message;
190 message << "G4DataSet::LoadData - data f 190 message << "G4DataSet::LoadData - data file " << fullFileName << " not found";
191 191
192 G4Exception("G4CompositeDataSet::LoadDat 192 G4Exception("G4CompositeDataSet::LoadData",
193 "pii00000140", 193 "pii00000140",
194 FatalException, 194 FatalException,
195 message.str().c_str()); 195 message.str().c_str());
196 } 196 }
197 197
198 G4DataVector* argEnergies=new G4DataVector; 198 G4DataVector* argEnergies=new G4DataVector;
199 G4DataVector* argData=new G4DataVector; 199 G4DataVector* argData=new G4DataVector;
200 200
201 G4double a; 201 G4double a;
202 bool energyColumn(true); 202 bool energyColumn(true);
203 203
204 do 204 do
205 { 205 {
206 in >> a; 206 in >> a;
207 207
208 if (a!=-1 && a!=-2) 208 if (a!=-1 && a!=-2)
209 { 209 {
210 if (energyColumn) 210 if (energyColumn)
211 { 211 {
212 // std::cout << fullFileName << ", a = 212 // std::cout << fullFileName << ", a = " << a <<std::endl;
213 argEnergies->push_back(a*unitEnergies) 213 argEnergies->push_back(a*unitEnergies);
214 } 214 }
215 else 215 else
216 argData->push_back(a*unitData); 216 argData->push_back(a*unitData);
217 energyColumn=(!energyColumn); 217 energyColumn=(!energyColumn);
218 } 218 }
219 } 219 }
220 while (a != -2); 220 while (a != -2);
221 221
222 SetEnergiesData(argEnergies, argData, 0); 222 SetEnergiesData(argEnergies, argData, 0);
223 if (randomSet) BuildPdf(); 223 if (randomSet) BuildPdf();
224 224
225 return true; 225 return true;
226 } 226 }
227 227
228 G4bool G4DataSet::SaveData(const G4String& nam 228 G4bool G4DataSet::SaveData(const G4String& name) const
229 { 229 {
230 // The file is organized into two columns: 230 // The file is organized into two columns:
231 // 1st column is the energy 231 // 1st column is the energy
232 // 2nd column is the corresponding value 232 // 2nd column is the corresponding value
233 // The file terminates with the pattern: -1 233 // The file terminates with the pattern: -1 -1
234 // -2 234 // -2 -2
235 235
236 G4String fullFileName(FullFileName(name)); 236 G4String fullFileName(FullFileName(name));
237 std::ofstream out(fullFileName); 237 std::ofstream out(fullFileName);
238 238
239 if (!out.is_open()) 239 if (!out.is_open())
240 { 240 {
241 241
242 std::ostringstream message; 242 std::ostringstream message;
243 message << "G4DataSet:: SaveData - canno 243 message << "G4DataSet:: SaveData - cannot open " << fullFileName;
244 244
245 G4Exception("G4CompositeDataSet::SaveDat 245 G4Exception("G4CompositeDataSet::SaveData",
246 "pii00000150", 246 "pii00000150",
247 FatalException, 247 FatalException,
248 message.str().c_str()); 248 message.str().c_str());
249 249
250 } 250 }
251 251
252 out.precision(10); 252 out.precision(10);
253 out.width(15); 253 out.width(15);
254 out.setf(std::ofstream::left); 254 out.setf(std::ofstream::left);
255 255
256 if (energies!=0 && data!=0) 256 if (energies!=0 && data!=0)
257 { 257 {
258 G4DataVector::const_iterator i(energies- 258 G4DataVector::const_iterator i(energies->begin());
259 G4DataVector::const_iterator endI(energi 259 G4DataVector::const_iterator endI(energies->end());
260 G4DataVector::const_iterator j(data->beg 260 G4DataVector::const_iterator j(data->begin());
261 261
262 while (i!=endI) 262 while (i!=endI)
263 { 263 {
264 out.precision(10); 264 out.precision(10);
265 out.width(15); 265 out.width(15);
266 out.setf(std::ofstream::left); 266 out.setf(std::ofstream::left);
267 out << ((*i)/unitEnergies) << ' '; 267 out << ((*i)/unitEnergies) << ' ';
268 268
269 out.precision(10); 269 out.precision(10);
270 out.width(15); 270 out.width(15);
271 out.setf(std::ofstream::left); 271 out.setf(std::ofstream::left);
272 out << ((*j)/unitData) << std::endl; 272 out << ((*j)/unitData) << std::endl;
273 273
274 i++; 274 i++;
275 j++; 275 j++;
276 } 276 }
277 } 277 }
278 278
279 out.precision(10); 279 out.precision(10);
280 out.width(15); 280 out.width(15);
281 out.setf(std::ofstream::left); 281 out.setf(std::ofstream::left);
282 out << -1.f << ' '; 282 out << -1.f << ' ';
283 283
284 out.precision(10); 284 out.precision(10);
285 out.width(15); 285 out.width(15);
286 out.setf(std::ofstream::left); 286 out.setf(std::ofstream::left);
287 out << -1.f << std::endl; 287 out << -1.f << std::endl;
288 288
289 out.precision(10); 289 out.precision(10);
290 out.width(15); 290 out.width(15);
291 out.setf(std::ofstream::left); 291 out.setf(std::ofstream::left);
292 out << -2.f << ' '; 292 out << -2.f << ' ';
293 293
294 out.precision(10); 294 out.precision(10);
295 out.width(15); 295 out.width(15);
296 out.setf(std::ofstream::left); 296 out.setf(std::ofstream::left);
297 out << -2.f << std::endl; 297 out << -2.f << std::endl;
298 298
299 return true; 299 return true;
300 } 300 }
301 301
302 std::size_t G4DataSet::FindLowerBound(G4double << 302 size_t G4DataSet::FindLowerBound(G4double x) const
303 { 303 {
304 std::size_t lowerBound = 0; << 304 size_t lowerBound = 0;
305 std::size_t upperBound(energies->size() - 1) << 305 size_t upperBound(energies->size() - 1);
306 306
307 while (lowerBound <= upperBound) 307 while (lowerBound <= upperBound)
308 { 308 {
309 std::size_t midBin((lowerBound + upperBo << 309 size_t midBin((lowerBound + upperBound) / 2);
310 310
311 if (x < (*energies)[midBin]) upperBound 311 if (x < (*energies)[midBin]) upperBound = midBin - 1;
312 else lowerBound = midBin + 1; 312 else lowerBound = midBin + 1;
313 } 313 }
314 314
315 return upperBound; 315 return upperBound;
316 } 316 }
317 317
318 318
319 std::size_t G4DataSet::FindLowerBound(G4double << 319 size_t G4DataSet::FindLowerBound(G4double x, G4DataVector* values) const
320 { 320 {
321 std::size_t lowerBound = 0;; << 321 size_t lowerBound = 0;;
322 std::size_t upperBound(values->size() - 1); << 322 size_t upperBound(values->size() - 1);
323 323
324 while (lowerBound <= upperBound) 324 while (lowerBound <= upperBound)
325 { 325 {
326 std::size_t midBin((lowerBound + upperBo << 326 size_t midBin((lowerBound + upperBound) / 2);
327 327
328 if (x < (*values)[midBin]) upperBound = 328 if (x < (*values)[midBin]) upperBound = midBin - 1;
329 else lowerBound = midBin + 1; 329 else lowerBound = midBin + 1;
330 } 330 }
331 331
332 return upperBound; 332 return upperBound;
333 } 333 }
334 334
335 335
336 G4String G4DataSet::FullFileName(const G4Strin 336 G4String G4DataSet::FullFileName(const G4String& name) const
337 { 337 {
338 const char* path = G4FindDataDir("G4PIIDATA" << 338 char* path = std::getenv("G4PIIDATA");
339 if (!path) 339 if (!path)
340 G4Exception("G4DataSet::FullFileName", 340 G4Exception("G4DataSet::FullFileName",
341 "pii00000160", 341 "pii00000160",
342 FatalException, 342 FatalException,
343 "G4PIIDATA environment variable not set"); 343 "G4PIIDATA environment variable not set");
344 344
345 std::ostringstream fullFileName; 345 std::ostringstream fullFileName;
346 fullFileName << path << '/' << name << z << 346 fullFileName << path << '/' << name << z << ".dat";
347 347
348 return G4String(fullFileName.str().c_str()); 348 return G4String(fullFileName.str().c_str());
349 } 349 }
350 350
351 351
352 void G4DataSet::BuildPdf() 352 void G4DataSet::BuildPdf()
353 { 353 {
354 pdf = new G4DataVector; 354 pdf = new G4DataVector;
355 G4Integrator <G4DataSet, G4double(G4DataSet: 355 G4Integrator <G4DataSet, G4double(G4DataSet::*)(G4double)> integrator;
356 356
357 std::size_t nData = data->size(); << 357 G4int nData = data->size();
358 pdf->push_back(0.); 358 pdf->push_back(0.);
359 359
360 // Integrate the data distribution 360 // Integrate the data distribution
361 std::size_t i; << 361 G4int i;
362 G4double totalSum = 0.; 362 G4double totalSum = 0.;
363 for (i=1; i<nData; i++) 363 for (i=1; i<nData; i++)
364 { 364 {
365 G4double xLow = (*energies)[i-1]; 365 G4double xLow = (*energies)[i-1];
366 G4double xHigh = (*energies)[i]; 366 G4double xHigh = (*energies)[i];
367 G4double sum = integrator.Legendre96(thi 367 G4double sum = integrator.Legendre96(this, &G4DataSet::IntegrationFunction, xLow, xHigh);
368 totalSum = totalSum + sum; 368 totalSum = totalSum + sum;
369 pdf->push_back(totalSum); 369 pdf->push_back(totalSum);
370 } 370 }
371 371
372 // Normalize to the last bin 372 // Normalize to the last bin
373 G4double tot = 0.; 373 G4double tot = 0.;
374 if (totalSum > 0.) tot = 1. / totalSum; 374 if (totalSum > 0.) tot = 1. / totalSum;
375 for (i=1; i<nData; i++) 375 for (i=1; i<nData; i++)
376 { 376 {
377 (*pdf)[i] = (*pdf)[i] * tot; 377 (*pdf)[i] = (*pdf)[i] * tot;
378 } 378 }
379 } 379 }
380 380
381 381
382 G4double G4DataSet::RandomSelect(G4int /* comp 382 G4double G4DataSet::RandomSelect(G4int /* componentId */) const
383 { 383 {
384 // Random select a X value according to the 384 // Random select a X value according to the cumulative probability distribution
385 // derived from the data 385 // derived from the data
386 386
387 if (!pdf) G4Exception("G4DataSet::RandomSele 387 if (!pdf) G4Exception("G4DataSet::RandomSelect",
388 "pii00000170", 388 "pii00000170",
389 FatalException, 389 FatalException,
390 "PDF has not been created for this data 390 "PDF has not been created for this data set");
391 391
392 G4double value = 0.; 392 G4double value = 0.;
393 G4double x = G4UniformRand(); 393 G4double x = G4UniformRand();
394 394
395 // Locate the random value in the X vector b 395 // Locate the random value in the X vector based on the PDF
396 G4int bin = (G4int)FindLowerBound(x,pdf); << 396 size_t bin = FindLowerBound(x,pdf);
397 397
398 // Interpolate the PDF to calculate the X va 398 // Interpolate the PDF to calculate the X value:
399 // linear interpolation in the first bin (to 399 // linear interpolation in the first bin (to avoid problem with 0),
400 // interpolation with associated data set al 400 // interpolation with associated data set algorithm in other bins
401 401
402 G4LinInterpolation linearAlgo; 402 G4LinInterpolation linearAlgo;
403 if (bin == 0) value = linearAlgo.Calculate(x 403 if (bin == 0) value = linearAlgo.Calculate(x, bin, *pdf, *energies);
404 else value = algorithm->Calculate(x, bin, *p 404 else value = algorithm->Calculate(x, bin, *pdf, *energies);
405 405
406 // G4cout << x << " random bin "<< bin << " 406 // G4cout << x << " random bin "<< bin << " - " << value << G4endl;
407 return value; 407 return value;
408 } 408 }
409 409
410 G4double G4DataSet::IntegrationFunction(G4doub 410 G4double G4DataSet::IntegrationFunction(G4double x)
411 { 411 {
412 // This function is needed by G4Integrator t 412 // This function is needed by G4Integrator to calculate the integral of the data distribution
413 413
414 G4double y = 0; 414 G4double y = 0;
415 415
416 // Locate the random value in the X vector b 416 // Locate the random value in the X vector based on the PDF
417 G4int bin = (G4int)FindLowerBound(x); << 417 size_t bin = FindLowerBound(x);
418 418
419 // Interpolate to calculate the X value: 419 // Interpolate to calculate the X value:
420 // linear interpolation in the first bin (to 420 // linear interpolation in the first bin (to avoid problem with 0),
421 // interpolation with associated algorithm i 421 // interpolation with associated algorithm in other bins
422 422
423 G4LinInterpolation linearAlgo; 423 G4LinInterpolation linearAlgo;
424 424
425 if (bin == 0) y = linearAlgo.Calculate(x, bi 425 if (bin == 0) y = linearAlgo.Calculate(x, bin, *energies, *data);
426 else y = algorithm->Calculate(x, bin, *energ 426 else y = algorithm->Calculate(x, bin, *energies, *data);
427 427
428 return y; 428 return y;
429 } 429 }
430 430
431 431