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Geant4/examples/advanced/eRosita/physics/src/G4RDVCrossSectionHandler.cc

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Differences between /examples/advanced/eRosita/physics/src/G4RDVCrossSectionHandler.cc (Version 11.3.0) and /examples/advanced/eRosita/physics/src/G4RDVCrossSectionHandler.cc (Version 10.0.p3)


  1 //                                                  1 //
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 13 // * work  make  any representation or  warran     13 // * work  make  any representation or  warranty, express or implied, *
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 25 //                                                 25 //
 26 //                                                 26 //
                                                   >>  27 // $Id$
                                                   >>  28 // GEANT4 tag $Name: geant4-09-01-ref-00 $
 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 // 1  Aug 2001   MGP        Created                34 // 1  Aug 2001   MGP        Created
 33 // 09 Oct 2001   VI         Add FindValue with     35 // 09 Oct 2001   VI         Add FindValue with 3 parameters 
 34 //                          + NumberOfComponen     36 //                          + NumberOfComponents
 35 // 19 Jul 2002   VI         Create composite d     37 // 19 Jul 2002   VI         Create composite data set for material
 36 // 21 Jan 2003   VI         Cut per region         38 // 21 Jan 2003   VI         Cut per region
 37 //                                                 39 //
 38 // -------------------------------------------     40 // -------------------------------------------------------------------
 39                                                    41 
 40 #include "G4RDVCrossSectionHandler.hh"             42 #include "G4RDVCrossSectionHandler.hh"
 41 #include "G4RDVDataSetAlgorithm.hh"                43 #include "G4RDVDataSetAlgorithm.hh"
 42 #include "G4RDLogLogInterpolation.hh"              44 #include "G4RDLogLogInterpolation.hh"
 43 #include "G4RDVEMDataSet.hh"                       45 #include "G4RDVEMDataSet.hh"
 44 #include "G4RDEMDataSet.hh"                        46 #include "G4RDEMDataSet.hh"
 45 #include "G4RDCompositeEMDataSet.hh"               47 #include "G4RDCompositeEMDataSet.hh"
 46 #include "G4RDShellEMDataSet.hh"                   48 #include "G4RDShellEMDataSet.hh"
 47 #include "G4ProductionCutsTable.hh"                49 #include "G4ProductionCutsTable.hh"
 48 #include "G4Material.hh"                           50 #include "G4Material.hh"
 49 #include "G4Element.hh"                            51 #include "G4Element.hh"
 50 #include "Randomize.hh"                            52 #include "Randomize.hh"
 51 #include <map>                                     53 #include <map>
 52 #include <vector>                                  54 #include <vector>
 53 #include <fstream>                                 55 #include <fstream>
 54 #include <sstream>                                 56 #include <sstream>
 55                                                    57 
 56                                                    58 
 57 G4RDVCrossSectionHandler::G4RDVCrossSectionHan     59 G4RDVCrossSectionHandler::G4RDVCrossSectionHandler()
 58 {                                                  60 {
 59   crossSections = 0;                               61   crossSections = 0;
 60   interpolation = 0;                               62   interpolation = 0;
 61   Initialise();                                    63   Initialise();
 62   ActiveElements();                                64   ActiveElements();
 63 }                                                  65 }
 64                                                    66 
 65                                                    67 
 66 G4RDVCrossSectionHandler::G4RDVCrossSectionHan     68 G4RDVCrossSectionHandler::G4RDVCrossSectionHandler(G4RDVDataSetAlgorithm* algorithm,
 67                  G4double minE,                    69                  G4double minE,
 68                  G4double maxE,                    70                  G4double maxE,
 69                  G4int bins,                       71                  G4int bins,
 70                  G4double unitE,                   72                  G4double unitE,
 71                  G4double unitData,                73                  G4double unitData,
 72                  G4int minZ,                       74                  G4int minZ, 
 73                  G4int maxZ)                       75                  G4int maxZ)
 74   : interpolation(algorithm), eMin(minE), eMax     76   : interpolation(algorithm), eMin(minE), eMax(maxE), nBins(bins),
 75     unit1(unitE), unit2(unitData), zMin(minZ),     77     unit1(unitE), unit2(unitData), zMin(minZ), zMax(maxZ)
 76 {                                                  78 {
 77   crossSections = 0;                               79   crossSections = 0;
 78   ActiveElements();                                80   ActiveElements();
 79 }                                                  81 }
 80                                                    82 
 81 G4RDVCrossSectionHandler::~G4RDVCrossSectionHa     83 G4RDVCrossSectionHandler::~G4RDVCrossSectionHandler()
 82 {                                                  84 {
 83   delete interpolation;                            85   delete interpolation;
 84   interpolation = 0;                               86   interpolation = 0;
 85   std::map<G4int,G4RDVEMDataSet*,std::less<G4i     87   std::map<G4int,G4RDVEMDataSet*,std::less<G4int> >::iterator pos;
 86                                                    88 
 87   for (pos = dataMap.begin(); pos != dataMap.e     89   for (pos = dataMap.begin(); pos != dataMap.end(); ++pos)
 88     {                                              90     {
 89       // The following is a workaround for STL     91       // The following is a workaround for STL ObjectSpace implementation, 
 90       // which does not support the standard a     92       // which does not support the standard and does not accept 
 91       // the syntax pos->second                    93       // the syntax pos->second
 92       // G4RDVEMDataSet* dataSet = pos->second     94       // G4RDVEMDataSet* dataSet = pos->second;
 93       G4RDVEMDataSet* dataSet = (*pos).second;     95       G4RDVEMDataSet* dataSet = (*pos).second;
 94       delete dataSet;                              96       delete dataSet;
 95     }                                              97     }
 96                                                    98 
 97   if (crossSections != 0)                          99   if (crossSections != 0)
 98     {                                             100     {
 99       size_t n = crossSections->size();           101       size_t n = crossSections->size();
100       for (size_t i=0; i<n; i++)                  102       for (size_t i=0; i<n; i++)
101   {                                               103   {
102     delete (*crossSections)[i];                   104     delete (*crossSections)[i];
103   }                                               105   }
104       delete crossSections;                       106       delete crossSections;
105       crossSections = 0;                          107       crossSections = 0;
106     }                                             108     }
107 }                                                 109 }
108                                                   110 
109 void G4RDVCrossSectionHandler::Initialise(G4RD    111 void G4RDVCrossSectionHandler::Initialise(G4RDVDataSetAlgorithm* algorithm,
110           G4double minE, G4double maxE,           112           G4double minE, G4double maxE, 
111           G4int numberOfBins,                     113           G4int numberOfBins,
112           G4double unitE, G4double unitData,      114           G4double unitE, G4double unitData,
113           G4int minZ, G4int maxZ)                 115           G4int minZ, G4int maxZ)
114 {                                                 116 {
115   if (algorithm != 0)                             117   if (algorithm != 0) 
116     {                                             118     {
117       delete interpolation;                       119       delete interpolation;
118       interpolation = algorithm;                  120       interpolation = algorithm;
119     }                                             121     }
120   else                                            122   else
121     {                                             123     {
122       interpolation = CreateInterpolation();      124       interpolation = CreateInterpolation();
123     }                                             125     }
124                                                   126 
125   eMin = minE;                                    127   eMin = minE;
126   eMax = maxE;                                    128   eMax = maxE;
127   nBins = numberOfBins;                           129   nBins = numberOfBins;
128   unit1 = unitE;                                  130   unit1 = unitE;
129   unit2 = unitData;                               131   unit2 = unitData;
130   zMin = minZ;                                    132   zMin = minZ;
131   zMax = maxZ;                                    133   zMax = maxZ;
132 }                                                 134 }
133                                                   135 
134 void G4RDVCrossSectionHandler::PrintData() con    136 void G4RDVCrossSectionHandler::PrintData() const
135 {                                                 137 {
136   std::map<G4int,G4RDVEMDataSet*,std::less<G4i    138   std::map<G4int,G4RDVEMDataSet*,std::less<G4int> >::const_iterator pos;
137                                                   139 
138   for (pos = dataMap.begin(); pos != dataMap.e    140   for (pos = dataMap.begin(); pos != dataMap.end(); pos++)
139     {                                             141     {
140       // The following is a workaround for STL    142       // The following is a workaround for STL ObjectSpace implementation, 
141       // which does not support the standard a    143       // which does not support the standard and does not accept 
142       // the syntax pos->first or pos->second     144       // the syntax pos->first or pos->second
143       // G4int z = pos->first;                    145       // G4int z = pos->first;
144       // G4RDVEMDataSet* dataSet = pos->second    146       // G4RDVEMDataSet* dataSet = pos->second;
145       G4int z = (*pos).first;                     147       G4int z = (*pos).first;
146       G4RDVEMDataSet* dataSet = (*pos).second;    148       G4RDVEMDataSet* dataSet = (*pos).second;     
147       G4cout << "---- Data set for Z = "          149       G4cout << "---- Data set for Z = "
148        << z                                       150        << z
149        << G4endl;                                 151        << G4endl;
150       dataSet->PrintData();                       152       dataSet->PrintData();
151       G4cout << "-----------------------------    153       G4cout << "--------------------------------------------------" << G4endl;
152     }                                             154     }
153 }                                                 155 }
154                                                   156 
155 void G4RDVCrossSectionHandler::LoadData(const     157 void G4RDVCrossSectionHandler::LoadData(const G4String& fileName)
156 {                                                 158 {
157   size_t nZ = activeZ.size();                     159   size_t nZ = activeZ.size();
158   for (size_t i=0; i<nZ; i++)                     160   for (size_t i=0; i<nZ; i++)
159     {                                             161     {
160       G4int Z = (G4int) activeZ[i];               162       G4int Z = (G4int) activeZ[i];
161                                                   163 
162       // Build the complete string identifying    164       // Build the complete string identifying the file with the data set
163                                                   165       
164       const char* path = G4FindDataDir("G4LEDA << 166       char* path = getenv("G4LEDATA");
165       if (!path)                                  167       if (!path)
166   {                                               168   { 
167     G4String excep = "G4LEDATA environment var    169     G4String excep = "G4LEDATA environment variable not set!";
168     G4Exception("G4RDVCrossSectionHandler::Loa    170     G4Exception("G4RDVCrossSectionHandler::LoadData()",
169                       "InvalidSetup", FatalExc    171                       "InvalidSetup", FatalException, excep);
170   }                                               172   }
171                                                   173       
172       std::ostringstream ost;                     174       std::ostringstream ost;
173       ost << path << '/' << fileName << Z << "    175       ost << path << '/' << fileName << Z << ".dat";
174       std::ifstream file(ost.str().c_str());      176       std::ifstream file(ost.str().c_str());
175       std::filebuf* lsdp = file.rdbuf();          177       std::filebuf* lsdp = file.rdbuf();
176                                                   178       
177       if (! (lsdp->is_open()) )                   179       if (! (lsdp->is_open()) )
178   {                                               180   {
179     G4String excep = "Data file: " + ost.str()    181     G4String excep = "Data file: " + ost.str() + " not found!";
180     G4Exception("G4RDVCrossSectionHandler::Loa    182     G4Exception("G4RDVCrossSectionHandler::LoadData()",
181                       "DataNotFound", FatalExc    183                       "DataNotFound", FatalException, excep);
182   }                                               184   }
183       G4double a = 0;                             185       G4double a = 0;
184       G4int k = 1;                                186       G4int k = 1;
185       G4DataVector* energies = new G4DataVecto    187       G4DataVector* energies = new G4DataVector;
186       G4DataVector* data = new G4DataVector;      188       G4DataVector* data = new G4DataVector;
187       do                                          189       do
188   {                                               190   {
189     file >> a;                                    191     file >> a;
190     G4int nColumns = 2;                           192     G4int nColumns = 2;
191     // The file is organized into two columns:    193     // The file is organized into two columns:
192     // 1st column is the energy                   194     // 1st column is the energy
193     // 2nd column is the corresponding value      195     // 2nd column is the corresponding value
194     // The file terminates with the pattern: -    196     // The file terminates with the pattern: -1   -1
195     //                                       -    197     //                                       -2   -2
196     if (a == -1 || a == -2)                       198     if (a == -1 || a == -2)
197       {                                           199       {
198       }                                           200       }
199     else                                          201     else
200       {                                           202       {
201         if (k%nColumns != 0)                      203         if (k%nColumns != 0)
202     {                                             204     { 
203       G4double e = a * unit1;                     205       G4double e = a * unit1;
204       energies->push_back(e);                     206       energies->push_back(e);
205       k++;                                        207       k++;
206     }                                             208     }
207         else if (k%nColumns == 0)                 209         else if (k%nColumns == 0)
208     {                                             210     {
209       G4double value = a * unit2;                 211       G4double value = a * unit2;
210       data->push_back(value);                     212       data->push_back(value);
211       k = 1;                                      213       k = 1;
212     }                                             214     }
213       }                                           215       }
214   } while (a != -2); // end of file               216   } while (a != -2); // end of file
215                                                   217       
216       file.close();                               218       file.close();
217       G4RDVDataSetAlgorithm* algo = interpolat    219       G4RDVDataSetAlgorithm* algo = interpolation->Clone();
218       G4RDVEMDataSet* dataSet = new G4RDEMData    220       G4RDVEMDataSet* dataSet = new G4RDEMDataSet(Z,energies,data,algo);
219       dataMap[Z] = dataSet;                       221       dataMap[Z] = dataSet;
220     }                                             222     }
221 }                                                 223 }
222                                                   224 
223 void G4RDVCrossSectionHandler::LoadShellData(c    225 void G4RDVCrossSectionHandler::LoadShellData(const G4String& fileName)
224 {                                                 226 {
225   size_t nZ = activeZ.size();                     227   size_t nZ = activeZ.size();
226   for (size_t i=0; i<nZ; i++)                     228   for (size_t i=0; i<nZ; i++)
227     {                                             229     {
228       G4int Z = (G4int) activeZ[i];               230       G4int Z = (G4int) activeZ[i];
229                                                   231       
230       // Riccardo Capra <capra@ge.infn.it>: PL    232       // Riccardo Capra <capra@ge.infn.it>: PLEASE CHECK THE FOLLOWING PIECE OF CODE
231       // "energies" AND "data" G4DataVector AR    233       // "energies" AND "data" G4DataVector ARE ALLOCATED, FILLED IN AND NEVER USED OR
232       // DELETED. WHATSMORE LOADING FILE OPERA    234       // DELETED. WHATSMORE LOADING FILE OPERATIONS WERE DONE BY G4RDShellEMDataSet
233       // EVEN BEFORE THE CHANGES I DID ON THIS    235       // EVEN BEFORE THE CHANGES I DID ON THIS FILE. SO THE FOLLOWING CODE IN MY
234       // OPINION SHOULD BE USELESS AND SHOULD     236       // OPINION SHOULD BE USELESS AND SHOULD PRODUCE A MEMORY LEAK. 
235                                                   237 
236       // Build the complete string identifying    238       // Build the complete string identifying the file with the data set
237                                                   239       
238       const char* path = G4FindDataDir("G4LEDA << 240       char* path = getenv("G4LEDATA");
239       if (!path)                                  241       if (!path)
240   {                                               242   { 
241     G4String excep = "G4LEDATA environment var    243     G4String excep = "G4LEDATA environment variable not set!";
242     G4Exception("G4RDVCrossSectionHandler::Loa    244     G4Exception("G4RDVCrossSectionHandler::LoadShellData()",
243                       "InvalidSetup", FatalExc    245                       "InvalidSetup", FatalException, excep);
244   }                                               246   }
245                                                   247       
246       std::ostringstream ost;                     248       std::ostringstream ost;
247                                                   249 
248       ost << path << '/' << fileName << Z << "    250       ost << path << '/' << fileName << Z << ".dat";
249                                                   251       
250       std::ifstream file(ost.str().c_str());      252       std::ifstream file(ost.str().c_str());
251       std::filebuf* lsdp = file.rdbuf();          253       std::filebuf* lsdp = file.rdbuf();
252                                                   254       
253       if (! (lsdp->is_open()) )                   255       if (! (lsdp->is_open()) )
254   {                                               256   {
255     G4String excep = "Data file: " + ost.str()    257     G4String excep = "Data file: " + ost.str() + " not found!";
256     G4Exception("G4RDVCrossSectionHandler::Loa    258     G4Exception("G4RDVCrossSectionHandler::LoadShellData()",
257                       "DataNotFound", FatalExc    259                       "DataNotFound", FatalException, excep);
258   }                                               260   }
259       G4double a = 0;                             261       G4double a = 0;
260       G4int k = 1;                                262       G4int k = 1;
261       G4DataVector* energies = new G4DataVecto    263       G4DataVector* energies = new G4DataVector;
262       G4DataVector* data = new G4DataVector;      264       G4DataVector* data = new G4DataVector;
263       do                                          265       do
264   {                                               266   {
265     file >> a;                                    267     file >> a;
266     G4int nColumns = 2;                           268     G4int nColumns = 2;
267     // The file is organized into two columns:    269     // The file is organized into two columns:
268     // 1st column is the energy                   270     // 1st column is the energy
269     // 2nd column is the corresponding value      271     // 2nd column is the corresponding value
270     // The file terminates with the pattern: -    272     // The file terminates with the pattern: -1   -1
271     //                                       -    273     //                                       -2   -2
272     if (a == -1 || a == -2)                       274     if (a == -1 || a == -2)
273       {                                           275       {
274       }                                           276       }
275     else                                          277     else
276       {                                           278       {
277         if (k%nColumns != 0)                      279         if (k%nColumns != 0)
278     {                                             280     { 
279       G4double e = a * unit1;                     281       G4double e = a * unit1;
280       energies->push_back(e);                     282       energies->push_back(e);
281       k++;                                        283       k++;
282     }                                             284     }
283         else if (k%nColumns == 0)                 285         else if (k%nColumns == 0)
284     {                                             286     {
285       G4double value = a * unit2;                 287       G4double value = a * unit2;
286       data->push_back(value);                     288       data->push_back(value);
287       k = 1;                                      289       k = 1;
288     }                                             290     }
289       }                                           291       }
290   } while (a != -2); // end of file               292   } while (a != -2); // end of file
291                                                   293       
292       file.close();                               294       file.close();
293                                                   295       
294       // Riccardo Capra <capra@ge.infn.it>: EN    296       // Riccardo Capra <capra@ge.infn.it>: END OF CODE THAT IN MY OPINION SHOULD BE
295       // REMOVED.                                 297       // REMOVED.
296                                                   298       
297       G4RDVDataSetAlgorithm* algo = interpolat    299       G4RDVDataSetAlgorithm* algo = interpolation->Clone();
298       G4RDVEMDataSet* dataSet = new G4RDShellE    300       G4RDVEMDataSet* dataSet = new G4RDShellEMDataSet(Z, algo);
299       dataSet->LoadData(fileName);                301       dataSet->LoadData(fileName);
300       dataMap[Z] = dataSet;                       302       dataMap[Z] = dataSet;
301     }                                             303     }
302 }                                                 304 }
303                                                   305 
304 void G4RDVCrossSectionHandler::Clear()            306 void G4RDVCrossSectionHandler::Clear()
305 {                                                 307 {
306   // Reset the map of data sets: remove the da    308   // Reset the map of data sets: remove the data sets from the map 
307   std::map<G4int,G4RDVEMDataSet*,std::less<G4i    309   std::map<G4int,G4RDVEMDataSet*,std::less<G4int> >::iterator pos;
308                                                   310 
309   if(! dataMap.empty())                           311   if(! dataMap.empty())
310     {                                             312     {
311         for (pos = dataMap.begin(); pos != dat    313         for (pos = dataMap.begin(); pos != dataMap.end(); ++pos)
312   {                                               314   {
313     // The following is a workaround for STL O    315     // The following is a workaround for STL ObjectSpace implementation, 
314     // which does not support the standard and    316     // which does not support the standard and does not accept
315     // the syntax pos->first or pos->second       317     // the syntax pos->first or pos->second
316     // G4RDVEMDataSet* dataSet = pos->second;     318     // G4RDVEMDataSet* dataSet = pos->second;
317     G4RDVEMDataSet* dataSet = (*pos).second;      319     G4RDVEMDataSet* dataSet = (*pos).second;
318     delete dataSet;                               320     delete dataSet;
319     dataSet = 0;                                  321     dataSet = 0;
320     G4int i = (*pos).first;                       322     G4int i = (*pos).first;
321     dataMap[i] = 0;                               323     dataMap[i] = 0;
322   }                                               324   }
323   dataMap.clear();                                325   dataMap.clear();
324     }                                             326     }
325                                                   327 
326   activeZ.clear();                                328   activeZ.clear();
327   ActiveElements();                               329   ActiveElements();
328 }                                                 330 }
329                                                   331 
330 G4double G4RDVCrossSectionHandler::FindValue(G    332 G4double G4RDVCrossSectionHandler::FindValue(G4int Z, G4double energy) const
331 {                                                 333 {
332   G4double value = 0.;                            334   G4double value = 0.;
333                                                   335   
334   std::map<G4int,G4RDVEMDataSet*,std::less<G4i    336   std::map<G4int,G4RDVEMDataSet*,std::less<G4int> >::const_iterator pos;
335   pos = dataMap.find(Z);                          337   pos = dataMap.find(Z);
336   if (pos!= dataMap.end())                        338   if (pos!= dataMap.end())
337     {                                             339     {
338       // The following is a workaround for STL    340       // The following is a workaround for STL ObjectSpace implementation, 
339       // which does not support the standard a    341       // which does not support the standard and does not accept 
340       // the syntax pos->first or pos->second     342       // the syntax pos->first or pos->second
341       // G4RDVEMDataSet* dataSet = pos->second    343       // G4RDVEMDataSet* dataSet = pos->second;
342       G4RDVEMDataSet* dataSet = (*pos).second;    344       G4RDVEMDataSet* dataSet = (*pos).second;
343       value = dataSet->FindValue(energy);         345       value = dataSet->FindValue(energy);
344     }                                             346     }
345   else                                            347   else
346     {                                             348     {
347       G4cout << "WARNING: G4RDVCrossSectionHan    349       G4cout << "WARNING: G4RDVCrossSectionHandler::FindValue did not find Z = "
348        << Z << G4endl;                            350        << Z << G4endl;
349     }                                             351     }
350   return value;                                   352   return value;
351 }                                                 353 }
352                                                   354 
353 G4double G4RDVCrossSectionHandler::FindValue(G    355 G4double G4RDVCrossSectionHandler::FindValue(G4int Z, G4double energy, 
354                                            G4i    356                                            G4int shellIndex) const
355 {                                                 357 {
356   G4double value = 0.;                            358   G4double value = 0.;
357                                                   359 
358   std::map<G4int,G4RDVEMDataSet*,std::less<G4i    360   std::map<G4int,G4RDVEMDataSet*,std::less<G4int> >::const_iterator pos;
359   pos = dataMap.find(Z);                          361   pos = dataMap.find(Z);
360   if (pos!= dataMap.end())                        362   if (pos!= dataMap.end())
361     {                                             363     {
362       // The following is a workaround for STL    364       // The following is a workaround for STL ObjectSpace implementation, 
363       // which does not support the standard a    365       // which does not support the standard and does not accept 
364       // the syntax pos->first or pos->second     366       // the syntax pos->first or pos->second
365       // G4RDVEMDataSet* dataSet = pos->second    367       // G4RDVEMDataSet* dataSet = pos->second;
366       G4RDVEMDataSet* dataSet = (*pos).second;    368       G4RDVEMDataSet* dataSet = (*pos).second;
367       if (shellIndex >= 0)                        369       if (shellIndex >= 0) 
368   {                                               370   {
369     G4int nComponents = dataSet->NumberOfCompo    371     G4int nComponents = dataSet->NumberOfComponents();
370     if(shellIndex < nComponents)                  372     if(shellIndex < nComponents)    
371       // - MGP - Why doesn't it use G4RDVEMDat    373       // - MGP - Why doesn't it use G4RDVEMDataSet::FindValue directly?
372       value = dataSet->GetComponent(shellIndex    374       value = dataSet->GetComponent(shellIndex)->FindValue(energy);
373     else                                          375     else 
374       {                                           376       {
375         G4cout << "WARNING: G4RDVCrossSectionH    377         G4cout << "WARNING: G4RDVCrossSectionHandler::FindValue did not find"
376          << " shellIndex= " << shellIndex         378          << " shellIndex= " << shellIndex
377          << " for  Z= "                           379          << " for  Z= "
378          << Z << G4endl;                          380          << Z << G4endl;
379       }                                           381       }
380   } else {                                        382   } else {
381     value = dataSet->FindValue(energy);           383     value = dataSet->FindValue(energy);
382   }                                               384   }
383     }                                             385     }
384   else                                            386   else
385     {                                             387     {
386       G4cout << "WARNING: G4RDVCrossSectionHan    388       G4cout << "WARNING: G4RDVCrossSectionHandler::FindValue did not find Z = "
387        << Z << G4endl;                            389        << Z << G4endl;
388     }                                             390     }
389   return value;                                   391   return value;
390 }                                                 392 }
391                                                   393 
392                                                   394 
393 G4double G4RDVCrossSectionHandler::ValueForMat    395 G4double G4RDVCrossSectionHandler::ValueForMaterial(const G4Material* material,
394               G4double energy) const              396               G4double energy) const
395 {                                                 397 {
396   G4double value = 0.;                            398   G4double value = 0.;
397                                                   399 
398   const G4ElementVector* elementVector = mater    400   const G4ElementVector* elementVector = material->GetElementVector();
399   const G4double* nAtomsPerVolume = material->    401   const G4double* nAtomsPerVolume = material->GetVecNbOfAtomsPerVolume();
400   G4int nElements = material->GetNumberOfEleme    402   G4int nElements = material->GetNumberOfElements();
401                                                   403 
402   for (G4int i=0 ; i<nElements ; i++)             404   for (G4int i=0 ; i<nElements ; i++)
403     {                                             405     {
404       G4int Z = (G4int) (*elementVector)[i]->G    406       G4int Z = (G4int) (*elementVector)[i]->GetZ();
405       G4double elementValue = FindValue(Z,ener    407       G4double elementValue = FindValue(Z,energy);
406       G4double nAtomsVol = nAtomsPerVolume[i];    408       G4double nAtomsVol = nAtomsPerVolume[i];
407       value += nAtomsVol * elementValue;          409       value += nAtomsVol * elementValue;
408     }                                             410     }
409                                                   411 
410   return value;                                   412   return value;
411 }                                                 413 }
412                                                   414 
413                                                   415 
414 G4RDVEMDataSet* G4RDVCrossSectionHandler::Buil    416 G4RDVEMDataSet* G4RDVCrossSectionHandler::BuildMeanFreePathForMaterials(const G4DataVector* energyCuts)
415 {                                                 417 {
416   // Builds a CompositeDataSet containing the     418   // Builds a CompositeDataSet containing the mean free path for each material
417   // in the material table                        419   // in the material table
418                                                   420 
419   G4DataVector energyVector;                      421   G4DataVector energyVector;
420   G4double dBin = std::log10(eMax/eMin) / nBin    422   G4double dBin = std::log10(eMax/eMin) / nBins;
421                                                   423 
422   for (G4int i=0; i<nBins+1; i++)                 424   for (G4int i=0; i<nBins+1; i++)
423     {                                             425     {
424       energyVector.push_back(std::pow(10., std    426       energyVector.push_back(std::pow(10., std::log10(eMin)+i*dBin));
425     }                                             427     }
426                                                   428 
427   // Factory method to build cross sections in    429   // Factory method to build cross sections in derived classes,
428   // related to the type of physics process       430   // related to the type of physics process
429                                                   431 
430   if (crossSections != 0)                         432   if (crossSections != 0)
431     {  // Reset the list of cross sections        433     {  // Reset the list of cross sections
432       std::vector<G4RDVEMDataSet*>::iterator m    434       std::vector<G4RDVEMDataSet*>::iterator mat;
433       if (! crossSections->empty())               435       if (! crossSections->empty())
434   {                                               436   {
435     for (mat = crossSections->begin(); mat!= c    437     for (mat = crossSections->begin(); mat!= crossSections->end(); ++mat)
436       {                                           438       {
437         G4RDVEMDataSet* set = *mat;               439         G4RDVEMDataSet* set = *mat;
438         delete set;                               440         delete set;
439         set = 0;                                  441         set = 0;
440       }                                           442       }
441     crossSections->clear();                       443     crossSections->clear();
442     delete crossSections;                         444     delete crossSections;
443     crossSections = 0;                            445     crossSections = 0;
444   }                                               446   }
445     }                                             447     }
446                                                   448 
447   crossSections = BuildCrossSectionsForMateria    449   crossSections = BuildCrossSectionsForMaterials(energyVector,energyCuts);
448                                                   450 
449   if (crossSections == 0)                         451   if (crossSections == 0)
450     G4Exception("G4RDVCrossSectionHandler::Bui    452     G4Exception("G4RDVCrossSectionHandler::BuildMeanFreePathForMaterials()",
451                 "InvalidCondition", FatalExcep    453                 "InvalidCondition", FatalException, "CrossSections = 0!");
452                                                   454 
453   G4RDVDataSetAlgorithm* algo = CreateInterpol    455   G4RDVDataSetAlgorithm* algo = CreateInterpolation();
454   G4RDVEMDataSet* materialSet = new G4RDCompos    456   G4RDVEMDataSet* materialSet = new G4RDCompositeEMDataSet(algo);
455                                                   457 
456   G4DataVector* energies;                         458   G4DataVector* energies;
457   G4DataVector* data;                             459   G4DataVector* data;
458                                                   460   
459   const G4ProductionCutsTable* theCoupleTable=    461   const G4ProductionCutsTable* theCoupleTable=
460         G4ProductionCutsTable::GetProductionCu    462         G4ProductionCutsTable::GetProductionCutsTable();
461   size_t numOfCouples = theCoupleTable->GetTab    463   size_t numOfCouples = theCoupleTable->GetTableSize();
462                                                   464 
463                                                   465 
464   for (size_t m=0; m<numOfCouples; m++)           466   for (size_t m=0; m<numOfCouples; m++)
465     {                                             467     {
466       energies = new G4DataVector;                468       energies = new G4DataVector;
467       data = new G4DataVector;                    469       data = new G4DataVector;
468       for (G4int bin=0; bin<nBins; bin++)         470       for (G4int bin=0; bin<nBins; bin++)
469   {                                               471   {
470     G4double energy = energyVector[bin];          472     G4double energy = energyVector[bin];
471     energies->push_back(energy);                  473     energies->push_back(energy);
472     G4RDVEMDataSet* matCrossSet = (*crossSecti    474     G4RDVEMDataSet* matCrossSet = (*crossSections)[m];
473     G4double materialCrossSection = 0.0;          475     G4double materialCrossSection = 0.0;
474           G4int nElm = matCrossSet->NumberOfCo    476           G4int nElm = matCrossSet->NumberOfComponents();
475           for(G4int j=0; j<nElm; j++) {           477           for(G4int j=0; j<nElm; j++) {
476             materialCrossSection += matCrossSe    478             materialCrossSection += matCrossSet->GetComponent(j)->FindValue(energy);
477     }                                             479     }
478                                                   480 
479     if (materialCrossSection > 0.)                481     if (materialCrossSection > 0.)
480       {                                           482       {
481         data->push_back(1./materialCrossSectio    483         data->push_back(1./materialCrossSection);
482       }                                           484       }
483     else                                          485     else
484       {                                           486       {
485         data->push_back(DBL_MAX);                 487         data->push_back(DBL_MAX);
486       }                                           488       }
487   }                                               489   }
488       G4RDVDataSetAlgorithm* algo = CreateInte    490       G4RDVDataSetAlgorithm* algo = CreateInterpolation();
489       G4RDVEMDataSet* dataSet = new G4RDEMData    491       G4RDVEMDataSet* dataSet = new G4RDEMDataSet(m,energies,data,algo,1.,1.);
490       materialSet->AddComponent(dataSet);         492       materialSet->AddComponent(dataSet);
491     }                                             493     }
492                                                   494 
493   return materialSet;                             495   return materialSet;
494 }                                                 496 }
495                                                   497 
496 G4int G4RDVCrossSectionHandler::SelectRandomAt    498 G4int G4RDVCrossSectionHandler::SelectRandomAtom(const G4MaterialCutsCouple* couple,
497                                                   499                                                      G4double e) const
498 {                                                 500 {
499   // Select randomly an element within the mat    501   // Select randomly an element within the material, according to the weight
500   // determined by the cross sections in the d    502   // determined by the cross sections in the data set
501                                                   503 
502   const G4Material* material = couple->GetMate    504   const G4Material* material = couple->GetMaterial();
503   G4int nElements = material->GetNumberOfEleme    505   G4int nElements = material->GetNumberOfElements();
504                                                   506 
505   // Special case: the material consists of on    507   // Special case: the material consists of one element
506   if (nElements == 1)                             508   if (nElements == 1)
507     {                                             509     {
508       G4int Z = (G4int) material->GetZ();         510       G4int Z = (G4int) material->GetZ();
509       return Z;                                   511       return Z;
510     }                                             512     }
511                                                   513 
512   // Composite material                           514   // Composite material
513                                                   515 
514   const G4ElementVector* elementVector = mater    516   const G4ElementVector* elementVector = material->GetElementVector();
515   size_t materialIndex = couple->GetIndex();      517   size_t materialIndex = couple->GetIndex();
516                                                   518 
517   G4RDVEMDataSet* materialSet = (*crossSection    519   G4RDVEMDataSet* materialSet = (*crossSections)[materialIndex];
518   G4double materialCrossSection0 = 0.0;           520   G4double materialCrossSection0 = 0.0;
519   G4DataVector cross;                             521   G4DataVector cross;
520   cross.clear();                                  522   cross.clear();
521   for ( G4int i=0; i < nElements; i++ )           523   for ( G4int i=0; i < nElements; i++ )
522     {                                             524     {
523       G4double cr = materialSet->GetComponent(    525       G4double cr = materialSet->GetComponent(i)->FindValue(e);
524       materialCrossSection0 += cr;                526       materialCrossSection0 += cr;
525       cross.push_back(materialCrossSection0);     527       cross.push_back(materialCrossSection0);
526     }                                             528     }
527                                                   529 
528   G4double random = G4UniformRand() * material    530   G4double random = G4UniformRand() * materialCrossSection0;
529                                                   531 
530   for (G4int k=0 ; k < nElements ; k++ )          532   for (G4int k=0 ; k < nElements ; k++ )
531     {                                             533     {
532       if (random <= cross[k]) return (G4int) (    534       if (random <= cross[k]) return (G4int) (*elementVector)[k]->GetZ();
533     }                                             535     }
534   // It should never get here                     536   // It should never get here
535   return 0;                                       537   return 0;
536 }                                                 538 }
537                                                   539 
538 const G4Element* G4RDVCrossSectionHandler::Sel    540 const G4Element* G4RDVCrossSectionHandler::SelectRandomElement(const G4MaterialCutsCouple* couple,
539                    G4double e) const              541                    G4double e) const
540 {                                                 542 {
541   // Select randomly an element within the mat    543   // Select randomly an element within the material, according to the weight determined
542   // by the cross sections in the data set        544   // by the cross sections in the data set
543                                                   545 
544   const G4Material* material = couple->GetMate    546   const G4Material* material = couple->GetMaterial();
545   G4Element* nullElement = 0;                     547   G4Element* nullElement = 0;
546   G4int nElements = material->GetNumberOfEleme    548   G4int nElements = material->GetNumberOfElements();
547   const G4ElementVector* elementVector = mater    549   const G4ElementVector* elementVector = material->GetElementVector();
548                                                   550 
549   // Special case: the material consists of on    551   // Special case: the material consists of one element
550   if (nElements == 1)                             552   if (nElements == 1)
551     {                                             553     {
552       G4Element* element = (*elementVector)[0]    554       G4Element* element = (*elementVector)[0];
553       return element;                             555       return element;
554     }                                             556     }
555   else                                            557   else
556     {                                             558     {
557       // Composite material                       559       // Composite material
558                                                   560 
559       size_t materialIndex = couple->GetIndex(    561       size_t materialIndex = couple->GetIndex();
560                                                   562 
561       G4RDVEMDataSet* materialSet = (*crossSec    563       G4RDVEMDataSet* materialSet = (*crossSections)[materialIndex];
562       G4double materialCrossSection0 = 0.0;       564       G4double materialCrossSection0 = 0.0;
563       G4DataVector cross;                         565       G4DataVector cross;
564       cross.clear();                              566       cross.clear();
565       for (G4int i=0; i<nElements; i++)           567       for (G4int i=0; i<nElements; i++)
566         {                                         568         {
567           G4double cr = materialSet->GetCompon    569           G4double cr = materialSet->GetComponent(i)->FindValue(e);
568           materialCrossSection0 += cr;            570           materialCrossSection0 += cr;
569           cross.push_back(materialCrossSection    571           cross.push_back(materialCrossSection0);
570         }                                         572         }
571                                                   573 
572       G4double random = G4UniformRand() * mate    574       G4double random = G4UniformRand() * materialCrossSection0;
573                                                   575 
574       for (G4int k=0 ; k < nElements ; k++ )      576       for (G4int k=0 ; k < nElements ; k++ )
575         {                                         577         {
576           if (random <= cross[k]) return (*ele    578           if (random <= cross[k]) return (*elementVector)[k];
577         }                                         579         }
578       // It should never end up here              580       // It should never end up here
579       G4cout << "G4RDVCrossSectionHandler::Sel    581       G4cout << "G4RDVCrossSectionHandler::SelectRandomElement - no element found" << G4endl;
580       return nullElement;                         582       return nullElement;
581     }                                             583     }
582 }                                                 584 }
583                                                   585 
584 G4int G4RDVCrossSectionHandler::SelectRandomSh    586 G4int G4RDVCrossSectionHandler::SelectRandomShell(G4int Z, G4double e) const
585 {                                                 587 {
586   // Select randomly a shell, according to the    588   // Select randomly a shell, according to the weight determined by the cross sections
587   // in the data set                              589   // in the data set
588                                                   590 
589   // Note for later improvement: it would be u    591   // Note for later improvement: it would be useful to add a cache mechanism for already
590   // used shells to improve performance           592   // used shells to improve performance
591                                                   593 
592   G4int shell = 0;                                594   G4int shell = 0;
593                                                   595 
594   G4double totCrossSection = FindValue(Z,e);      596   G4double totCrossSection = FindValue(Z,e);
595   G4double random = G4UniformRand() * totCross    597   G4double random = G4UniformRand() * totCrossSection;
596   G4double partialSum = 0.;                       598   G4double partialSum = 0.;
597                                                   599 
598   G4RDVEMDataSet* dataSet = 0;                    600   G4RDVEMDataSet* dataSet = 0;
599   std::map<G4int,G4RDVEMDataSet*,std::less<G4i    601   std::map<G4int,G4RDVEMDataSet*,std::less<G4int> >::const_iterator pos;
600   pos = dataMap.find(Z);                          602   pos = dataMap.find(Z);
601   // The following is a workaround for STL Obj    603   // The following is a workaround for STL ObjectSpace implementation,
602   // which does not support the standard and d    604   // which does not support the standard and does not accept
603   // the syntax pos->first or pos->second         605   // the syntax pos->first or pos->second
604   // if (pos != dataMap.end()) dataSet = pos->    606   // if (pos != dataMap.end()) dataSet = pos->second;
605   if (pos != dataMap.end()) dataSet = (*pos).s    607   if (pos != dataMap.end()) dataSet = (*pos).second;
606                                                   608 
607   size_t nShells = dataSet->NumberOfComponents    609   size_t nShells = dataSet->NumberOfComponents();
608   for (size_t i=0; i<nShells; i++)                610   for (size_t i=0; i<nShells; i++)
609     {                                             611     {
610       const G4RDVEMDataSet* shellDataSet = dat    612       const G4RDVEMDataSet* shellDataSet = dataSet->GetComponent(i);
611       if (shellDataSet != 0)                      613       if (shellDataSet != 0)
612   {                                               614   {
613     G4double value = shellDataSet->FindValue(e    615     G4double value = shellDataSet->FindValue(e);
614     partialSum += value;                          616     partialSum += value;
615     if (random <= partialSum) return i;           617     if (random <= partialSum) return i;
616   }                                               618   }
617     }                                             619     }
618   // It should never get here                     620   // It should never get here
619   return shell;                                   621   return shell;
620 }                                                 622 }
621                                                   623 
622 void G4RDVCrossSectionHandler::ActiveElements(    624 void G4RDVCrossSectionHandler::ActiveElements()
623 {                                                 625 {
624   const G4MaterialTable* materialTable = G4Mat    626   const G4MaterialTable* materialTable = G4Material::GetMaterialTable();
625   if (materialTable == 0)                         627   if (materialTable == 0)
626     G4Exception("G4RDVCrossSectionHandler::Act    628     G4Exception("G4RDVCrossSectionHandler::ActiveElements",
627                 "InvalidSetup", FatalException    629                 "InvalidSetup", FatalException, "No MaterialTable found!");
628                                                   630 
629   G4int nMaterials = G4Material::GetNumberOfMa    631   G4int nMaterials = G4Material::GetNumberOfMaterials();
630                                                   632 
631   for (G4int m=0; m<nMaterials; m++)              633   for (G4int m=0; m<nMaterials; m++)
632     {                                             634     {
633       const G4Material* material= (*materialTa    635       const G4Material* material= (*materialTable)[m];
634       const G4ElementVector* elementVector = m    636       const G4ElementVector* elementVector = material->GetElementVector();
635       const G4int nElements = material->GetNum    637       const G4int nElements = material->GetNumberOfElements();
636                                                   638 
637       for (G4int iEl=0; iEl<nElements; iEl++)     639       for (G4int iEl=0; iEl<nElements; iEl++)
638   {                                               640   {
639     G4Element* element = (*elementVector)[iEl]    641     G4Element* element = (*elementVector)[iEl];
640     G4double Z = element->GetZ();                 642     G4double Z = element->GetZ();
641     if (!(activeZ.contains(Z)) && Z >= zMin &&    643     if (!(activeZ.contains(Z)) && Z >= zMin && Z <= zMax)
642       {                                           644       {
643         activeZ.push_back(Z);                     645         activeZ.push_back(Z);
644       }                                           646       }
645   }                                               647   }
646     }                                             648     }
647 }                                                 649 }
648                                                   650 
649 G4RDVDataSetAlgorithm* G4RDVCrossSectionHandle    651 G4RDVDataSetAlgorithm* G4RDVCrossSectionHandler::CreateInterpolation()
650 {                                                 652 {
651   G4RDVDataSetAlgorithm* algorithm = new G4RDL    653   G4RDVDataSetAlgorithm* algorithm = new G4RDLogLogInterpolation;
652   return algorithm;                               654   return algorithm;
653 }                                                 655 }
654                                                   656 
655 G4int G4RDVCrossSectionHandler::NumberOfCompon    657 G4int G4RDVCrossSectionHandler::NumberOfComponents(G4int Z) const
656 {                                                 658 {
657   G4int n = 0;                                    659   G4int n = 0;
658                                                   660 
659   std::map<G4int,G4RDVEMDataSet*,std::less<G4i    661   std::map<G4int,G4RDVEMDataSet*,std::less<G4int> >::const_iterator pos;
660   pos = dataMap.find(Z);                          662   pos = dataMap.find(Z);
661   if (pos!= dataMap.end())                        663   if (pos!= dataMap.end())
662     {                                             664     {
663       G4RDVEMDataSet* dataSet = (*pos).second;    665       G4RDVEMDataSet* dataSet = (*pos).second;
664       n = dataSet->NumberOfComponents();          666       n = dataSet->NumberOfComponents();
665     }                                             667     }
666   else                                            668   else
667     {                                             669     {
668       G4cout << "WARNING: G4RDVCrossSectionHan    670       G4cout << "WARNING: G4RDVCrossSectionHandler::NumberOfComponents did not "
669              << "find Z = "                       671              << "find Z = "
670              << Z << G4endl;                      672              << Z << G4endl;
671     }                                             673     }
672   return n;                                       674   return n;
673 }                                                 675 }
674                                                   676 
675                                                   677 
676                                                   678