[819] | 1 | // |
---|
| 2 | // ******************************************************************** |
---|
| 3 | // * License and Disclaimer * |
---|
| 4 | // * * |
---|
| 5 | // * The Geant4 software is copyright of the Copyright Holders of * |
---|
| 6 | // * the Geant4 Collaboration. It is provided under the terms and * |
---|
| 7 | // * conditions of the Geant4 Software License, included in the file * |
---|
| 8 | // * LICENSE and available at http://cern.ch/geant4/license . These * |
---|
| 9 | // * include a list of copyright holders. * |
---|
| 10 | // * * |
---|
| 11 | // * Neither the authors of this software system, nor their employing * |
---|
| 12 | // * institutes,nor the agencies providing financial support for this * |
---|
| 13 | // * work make any representation or warranty, express or implied, * |
---|
| 14 | // * regarding this software system or assume any liability for its * |
---|
| 15 | // * use. Please see the license in the file LICENSE and URL above * |
---|
| 16 | // * for the full disclaimer and the limitation of liability. * |
---|
| 17 | // * * |
---|
| 18 | // * This code implementation is the result of the scientific and * |
---|
| 19 | // * technical work of the GEANT4 collaboration. * |
---|
| 20 | // * By using, copying, modifying or distributing the software (or * |
---|
| 21 | // * any work based on the software) you agree to acknowledge its * |
---|
| 22 | // * use in resulting scientific publications, and indicate your * |
---|
| 23 | // * acceptance of all terms of the Geant4 Software license. * |
---|
| 24 | // ******************************************************************** |
---|
| 25 | // |
---|
| 26 | // |
---|
[1192] | 27 | // $Id: G4ShellData.cc,v 1.11 2009/06/10 13:32:36 mantero Exp $ |
---|
[1315] | 28 | // GEANT4 tag $Name: geant4-09-04-beta-cand-01 $ |
---|
[819] | 29 | // |
---|
| 30 | // Author: Maria Grazia Pia (Maria.Grazia.Pia@cern.ch) |
---|
| 31 | // |
---|
| 32 | // History: |
---|
| 33 | // ----------- |
---|
| 34 | // 31 Jul 2001 MGP Created |
---|
| 35 | // |
---|
| 36 | // ------------------------------------------------------------------- |
---|
| 37 | |
---|
| 38 | #include "G4ShellData.hh" |
---|
| 39 | #include "G4DataVector.hh" |
---|
[961] | 40 | #include "G4SystemOfUnits.hh" |
---|
[819] | 41 | #include <fstream> |
---|
| 42 | #include <sstream> |
---|
[961] | 43 | #include <numeric> |
---|
| 44 | #include <algorithm> |
---|
| 45 | #include <valarray> |
---|
| 46 | #include <functional> |
---|
| 47 | #include "Randomize.hh" |
---|
[819] | 48 | |
---|
[961] | 49 | // The following deprecated header is included because <functional> seems not to be found on MGP's laptop |
---|
| 50 | //#include "function.h" |
---|
| 51 | |
---|
[819] | 52 | // Constructor |
---|
| 53 | |
---|
[961] | 54 | G4ShellData::G4ShellData(G4int minZ, G4int maxZ, G4bool isOccupancy) |
---|
| 55 | : zMin(minZ), zMax(maxZ), occupancyData(isOccupancy) |
---|
| 56 | { } |
---|
[819] | 57 | |
---|
| 58 | // Destructor |
---|
| 59 | G4ShellData::~G4ShellData() |
---|
| 60 | { |
---|
[961] | 61 | std::map<G4int,std::vector<G4double>*,std::less<G4int> >::iterator pos; |
---|
[819] | 62 | for (pos = idMap.begin(); pos != idMap.end(); ++pos) |
---|
| 63 | { |
---|
[961] | 64 | std::vector<G4double>* dataSet = (*pos).second; |
---|
[819] | 65 | delete dataSet; |
---|
| 66 | } |
---|
[961] | 67 | |
---|
| 68 | std::map<G4int,G4DataVector*,std::less<G4int> >::iterator pos2; |
---|
| 69 | for (pos2 = bindingMap.begin(); pos2 != bindingMap.end(); ++pos2) |
---|
[819] | 70 | { |
---|
[961] | 71 | G4DataVector* dataSet = (*pos2).second; |
---|
[819] | 72 | delete dataSet; |
---|
| 73 | } |
---|
[961] | 74 | |
---|
| 75 | if (occupancyData) |
---|
| 76 | { |
---|
| 77 | std::map<G4int,std::vector<G4double>*,std::less<G4int> >::iterator pos3; |
---|
| 78 | for (pos3 = occupancyPdfMap.begin(); pos3 != occupancyPdfMap.end(); ++pos3) |
---|
| 79 | { |
---|
| 80 | std::vector<G4double>* dataSet = (*pos3).second; |
---|
| 81 | delete dataSet; |
---|
| 82 | } |
---|
| 83 | } |
---|
[819] | 84 | } |
---|
| 85 | |
---|
| 86 | |
---|
| 87 | size_t G4ShellData::NumberOfShells(G4int Z) const |
---|
| 88 | { |
---|
| 89 | G4int z = Z - 1; |
---|
| 90 | G4int n = 0; |
---|
| 91 | |
---|
| 92 | if (Z>= zMin && Z <= zMax) |
---|
| 93 | { |
---|
| 94 | n = nShells[z]; |
---|
| 95 | } |
---|
| 96 | return n; |
---|
| 97 | } |
---|
| 98 | |
---|
| 99 | |
---|
[961] | 100 | const std::vector<G4double>& G4ShellData::ShellIdVector(G4int Z) const |
---|
[819] | 101 | { |
---|
[961] | 102 | std::map<G4int,std::vector<G4double>*,std::less<G4int> >::const_iterator pos; |
---|
| 103 | if (Z < zMin || Z > zMax) G4Exception("G4ShellData::ShellIdVector - Z outside boundaries"); |
---|
[819] | 104 | pos = idMap.find(Z); |
---|
[961] | 105 | std::vector<G4double>* dataSet = (*pos).second; |
---|
[819] | 106 | return *dataSet; |
---|
| 107 | } |
---|
| 108 | |
---|
[961] | 109 | |
---|
| 110 | const std::vector<G4double>& G4ShellData::ShellVector(G4int Z) const |
---|
| 111 | { |
---|
| 112 | std::map<G4int,std::vector<G4double>*,std::less<G4int> >::const_iterator pos; |
---|
| 113 | if (Z < zMin || Z > zMax) G4Exception("G4ShellData::ShellVector - Z outside boundaries"); |
---|
| 114 | pos = occupancyPdfMap.find(Z); |
---|
| 115 | std::vector<G4double>* dataSet = (*pos).second; |
---|
| 116 | return *dataSet; |
---|
| 117 | } |
---|
| 118 | |
---|
| 119 | |
---|
[819] | 120 | G4int G4ShellData::ShellId(G4int Z, G4int shellIndex) const |
---|
| 121 | { |
---|
| 122 | G4int n = -1; |
---|
| 123 | |
---|
| 124 | if (Z >= zMin && Z <= zMax) |
---|
| 125 | { |
---|
[961] | 126 | std::map<G4int,std::vector<G4double>*,std::less<G4int> >::const_iterator pos; |
---|
[819] | 127 | pos = idMap.find(Z); |
---|
| 128 | if (pos!= idMap.end()) |
---|
| 129 | { |
---|
[961] | 130 | std::vector<G4double> dataSet = *((*pos).second); |
---|
[819] | 131 | G4int nData = dataSet.size(); |
---|
| 132 | if (shellIndex >= 0 && shellIndex < nData) |
---|
| 133 | { |
---|
| 134 | n = (G4int) dataSet[shellIndex]; |
---|
| 135 | } |
---|
| 136 | } |
---|
| 137 | } |
---|
| 138 | return n; |
---|
| 139 | } |
---|
| 140 | |
---|
| 141 | |
---|
[961] | 142 | G4double G4ShellData::ShellOccupancyProbability(G4int Z, G4int shellIndex) const |
---|
| 143 | { |
---|
| 144 | G4double prob = -1.; |
---|
| 145 | |
---|
| 146 | if (Z >= zMin && Z <= zMax) |
---|
| 147 | { |
---|
| 148 | std::map<G4int,std::vector<G4double>*,std::less<G4int> >::const_iterator pos; |
---|
| 149 | pos = idMap.find(Z); |
---|
| 150 | if (pos!= idMap.end()) |
---|
| 151 | { |
---|
| 152 | std::vector<G4double> dataSet = *((*pos).second); |
---|
| 153 | G4int nData = dataSet.size(); |
---|
| 154 | if (shellIndex >= 0 && shellIndex < nData) |
---|
| 155 | { |
---|
| 156 | prob = dataSet[shellIndex]; |
---|
| 157 | } |
---|
| 158 | } |
---|
| 159 | } |
---|
| 160 | return prob; |
---|
| 161 | } |
---|
| 162 | |
---|
| 163 | |
---|
| 164 | |
---|
[819] | 165 | G4double G4ShellData::BindingEnergy(G4int Z, G4int shellIndex) const |
---|
| 166 | { |
---|
| 167 | G4double value = 0.; |
---|
| 168 | |
---|
| 169 | if (Z >= zMin && Z <= zMax) |
---|
| 170 | { |
---|
| 171 | std::map<G4int,G4DataVector*,std::less<G4int> >::const_iterator pos; |
---|
| 172 | pos = bindingMap.find(Z); |
---|
| 173 | if (pos!= bindingMap.end()) |
---|
| 174 | { |
---|
| 175 | G4DataVector dataSet = *((*pos).second); |
---|
| 176 | G4int nData = dataSet.size(); |
---|
| 177 | if (shellIndex >= 0 && shellIndex < nData) |
---|
| 178 | { |
---|
| 179 | value = dataSet[shellIndex]; |
---|
| 180 | } |
---|
| 181 | } |
---|
| 182 | } |
---|
| 183 | return value; |
---|
| 184 | } |
---|
| 185 | |
---|
| 186 | void G4ShellData::PrintData() const |
---|
| 187 | { |
---|
| 188 | for (G4int Z = zMin; Z <= zMax; Z++) |
---|
| 189 | { |
---|
| 190 | G4cout << "---- Shell data for Z = " |
---|
| 191 | << Z |
---|
| 192 | << " ---- " |
---|
| 193 | << G4endl; |
---|
| 194 | G4int nSh = nShells[Z-1]; |
---|
[961] | 195 | std::map<G4int,std::vector<G4double>*,std::less<G4int> >::const_iterator posId; |
---|
[819] | 196 | posId = idMap.find(Z); |
---|
[961] | 197 | std::vector<G4double>* ids = (*posId).second; |
---|
[819] | 198 | std::map<G4int,G4DataVector*,std::less<G4int> >::const_iterator posE; |
---|
| 199 | posE = bindingMap.find(Z); |
---|
| 200 | G4DataVector* energies = (*posE).second; |
---|
| 201 | for (G4int i=0; i<nSh; i++) |
---|
| 202 | { |
---|
| 203 | G4int id = (G4int) (*ids)[i]; |
---|
[961] | 204 | G4double e = (*energies)[i] / keV; |
---|
| 205 | G4cout << i << ") "; |
---|
| 206 | |
---|
| 207 | if (occupancyData) |
---|
| 208 | { |
---|
| 209 | G4cout << " Occupancy: "; |
---|
| 210 | } |
---|
| 211 | else |
---|
| 212 | { |
---|
| 213 | G4cout << " Shell id: "; |
---|
| 214 | } |
---|
| 215 | G4cout << id << " - Binding energy = " |
---|
| 216 | << e << " keV "; |
---|
| 217 | if (occupancyData) |
---|
| 218 | { |
---|
| 219 | std::map<G4int,std::vector<G4double>*,std::less<G4int> >::const_iterator posOcc; |
---|
| 220 | posOcc = occupancyPdfMap.find(Z); |
---|
| 221 | std::vector<G4double> probs = *((*posOcc).second); |
---|
| 222 | G4double prob = probs[i]; |
---|
| 223 | G4cout << "- Probability = " << prob; |
---|
| 224 | } |
---|
| 225 | G4cout << G4endl; |
---|
[819] | 226 | } |
---|
| 227 | G4cout << "-------------------------------------------------" |
---|
| 228 | << G4endl; |
---|
| 229 | } |
---|
| 230 | } |
---|
| 231 | |
---|
| 232 | |
---|
| 233 | void G4ShellData::LoadData(const G4String& fileName) |
---|
| 234 | { |
---|
| 235 | // Build the complete string identifying the file with the data set |
---|
| 236 | |
---|
| 237 | std::ostringstream ost; |
---|
| 238 | |
---|
| 239 | ost << fileName << ".dat"; |
---|
| 240 | |
---|
| 241 | G4String name(ost.str()); |
---|
| 242 | |
---|
| 243 | char* path = getenv("G4LEDATA"); |
---|
| 244 | if (!path) |
---|
| 245 | { |
---|
| 246 | G4String excep("G4EMDataSet - G4LEDATA environment variable not set"); |
---|
| 247 | G4Exception(excep); |
---|
| 248 | } |
---|
| 249 | |
---|
| 250 | G4String pathString(path); |
---|
| 251 | G4String dirFile = pathString + name; |
---|
| 252 | std::ifstream file(dirFile); |
---|
| 253 | std::filebuf* lsdp = file.rdbuf(); |
---|
| 254 | |
---|
| 255 | if (! (lsdp->is_open()) ) |
---|
| 256 | { |
---|
| 257 | G4String s1("G4ShellData - data file: "); |
---|
| 258 | G4String s2(" not found"); |
---|
| 259 | G4String excep = s1 + dirFile + s2; |
---|
| 260 | G4Exception(excep); |
---|
| 261 | } |
---|
| 262 | |
---|
| 263 | G4double a = 0; |
---|
| 264 | G4int k = 1; |
---|
| 265 | G4int s = 0; |
---|
| 266 | |
---|
| 267 | G4int Z = 1; |
---|
| 268 | G4DataVector* energies = new G4DataVector; |
---|
[961] | 269 | std::vector<G4double>* ids = new std::vector<G4double>; |
---|
[819] | 270 | |
---|
| 271 | do { |
---|
| 272 | file >> a; |
---|
| 273 | G4int nColumns = 2; |
---|
| 274 | if (a == -1) |
---|
| 275 | { |
---|
| 276 | if (s == 0) |
---|
| 277 | { |
---|
| 278 | // End of a shell data set |
---|
| 279 | idMap[Z] = ids; |
---|
| 280 | bindingMap[Z] = energies; |
---|
| 281 | G4int n = ids->size(); |
---|
| 282 | nShells.push_back(n); |
---|
| 283 | // Start of new shell data set |
---|
[961] | 284 | ids = new std::vector<G4double>; |
---|
[819] | 285 | energies = new G4DataVector; |
---|
| 286 | Z++; |
---|
| 287 | } |
---|
| 288 | s++; |
---|
| 289 | if (s == nColumns) |
---|
| 290 | { |
---|
| 291 | s = 0; |
---|
| 292 | } |
---|
| 293 | } |
---|
| 294 | else if (a == -2) |
---|
| 295 | { |
---|
| 296 | // End of file; delete the empty vectors created when encountering the last -1 -1 row |
---|
| 297 | delete energies; |
---|
| 298 | delete ids; |
---|
| 299 | //nComponents = components.size(); |
---|
| 300 | } |
---|
| 301 | else |
---|
| 302 | { |
---|
| 303 | // 1st column is shell id |
---|
| 304 | if(k%nColumns != 0) |
---|
| 305 | { |
---|
| 306 | ids->push_back(a); |
---|
| 307 | k++; |
---|
| 308 | } |
---|
| 309 | else if (k%nColumns == 0) |
---|
| 310 | { |
---|
| 311 | // 2nd column is binding energy |
---|
| 312 | G4double e = a * MeV; |
---|
| 313 | energies->push_back(e); |
---|
| 314 | k = 1; |
---|
| 315 | } |
---|
| 316 | } |
---|
| 317 | } while (a != -2); // end of file |
---|
| 318 | file.close(); |
---|
[961] | 319 | |
---|
| 320 | // For Doppler broadening: the data set contains shell occupancy and binding energy for each shell |
---|
| 321 | // Build additional map with probability for each shell based on its occupancy |
---|
| 322 | |
---|
| 323 | if (occupancyData) |
---|
| 324 | { |
---|
| 325 | // Build cumulative from raw shell occupancy |
---|
| 326 | |
---|
| 327 | for (G4int Z=zMin; Z <= zMax; Z++) |
---|
| 328 | { |
---|
| 329 | std::vector<G4double> occupancy = ShellIdVector(Z); |
---|
| 330 | |
---|
| 331 | std::vector<G4double>* prob = new std::vector<G4double>; |
---|
| 332 | G4double scale = 1. / G4double(Z); |
---|
| 333 | |
---|
| 334 | prob->push_back(occupancy[0] * scale); |
---|
| 335 | for (size_t i=1; i<occupancy.size(); i++) |
---|
| 336 | { |
---|
| 337 | prob->push_back(occupancy[i]*scale + (*prob)[i-1]); |
---|
| 338 | } |
---|
| 339 | occupancyPdfMap[Z] = prob; |
---|
| 340 | |
---|
| 341 | /* |
---|
| 342 | G4double scale = 1. / G4double(Z); |
---|
| 343 | // transform((*prob).begin(),(*prob).end(),(*prob).begin(),bind2nd(multiplies<G4double>(),scale)); |
---|
| 344 | |
---|
| 345 | for (size_t i=0; i<occupancy.size(); i++) |
---|
| 346 | { |
---|
| 347 | (*prob)[i] *= scale; |
---|
| 348 | } |
---|
| 349 | */ |
---|
| 350 | } |
---|
| 351 | } |
---|
[819] | 352 | } |
---|
| 353 | |
---|
[961] | 354 | |
---|
| 355 | G4int G4ShellData::SelectRandomShell(G4int Z) const |
---|
| 356 | { |
---|
| 357 | if (Z < zMin || Z > zMax) G4Exception("G4ShellData::RandomSelect - Z outside boundaries"); |
---|
| 358 | |
---|
| 359 | G4int shellIndex = 0; |
---|
| 360 | std::vector<G4double> prob = ShellVector(Z); |
---|
| 361 | G4double random = G4UniformRand(); |
---|
| 362 | |
---|
| 363 | // std::vector<G4double>::const_iterator pos; |
---|
| 364 | // pos = lower_bound(prob.begin(),prob.end(),random); |
---|
| 365 | |
---|
| 366 | // Binary search the shell with probability less or equal random |
---|
| 367 | |
---|
| 368 | G4int nShells = NumberOfShells(Z); |
---|
| 369 | G4int upperBound = nShells; |
---|
| 370 | |
---|
| 371 | while (shellIndex <= upperBound) |
---|
| 372 | { |
---|
| 373 | G4int midShell = (shellIndex + upperBound) / 2; |
---|
| 374 | if ( random < prob[midShell] ) |
---|
| 375 | upperBound = midShell - 1; |
---|
| 376 | else |
---|
| 377 | shellIndex = midShell + 1; |
---|
| 378 | } |
---|
| 379 | if (shellIndex >= nShells) shellIndex = nShells - 1; |
---|
| 380 | |
---|
| 381 | return shellIndex; |
---|
| 382 | } |
---|