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Geant4/processes/electromagnetic/dna/utils/src/G4DNACrossSectionDataSet.cc

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Differences between /processes/electromagnetic/dna/utils/src/G4DNACrossSectionDataSet.cc (Version 11.3.0) and /processes/electromagnetic/dna/utils/src/G4DNACrossSectionDataSet.cc (Version 11.1.1)


  1 //                                                  1 //
  2 // *******************************************      2 // ********************************************************************
  3 // * License and Disclaimer                         3 // * License and Disclaimer                                           *
  4 // *                                                4 // *                                                                  *
  5 // * The  Geant4 software  is  copyright of th      5 // * The  Geant4 software  is  copyright of the Copyright Holders  of *
  6 // * the Geant4 Collaboration.  It is provided      6 // * the Geant4 Collaboration.  It is provided  under  the terms  and *
  7 // * conditions of the Geant4 Software License      7 // * conditions of the Geant4 Software License,  included in the file *
  8 // * LICENSE and available at  http://cern.ch/      8 // * LICENSE and available at  http://cern.ch/geant4/license .  These *
  9 // * include a list of copyright holders.           9 // * include a list of copyright holders.                             *
 10 // *                                               10 // *                                                                  *
 11 // * Neither the authors of this software syst     11 // * Neither the authors of this software system, nor their employing *
 12 // * institutes,nor the agencies providing fin     12 // * institutes,nor the agencies providing financial support for this *
 13 // * work  make  any representation or  warran     13 // * work  make  any representation or  warranty, express or implied, *
 14 // * regarding  this  software system or assum     14 // * regarding  this  software system or assume any liability for its *
 15 // * use.  Please see the license in the file      15 // * use.  Please see the license in the file  LICENSE  and URL above *
 16 // * for the full disclaimer and the limitatio     16 // * for the full disclaimer and the limitation of liability.         *
 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.                      *
 20 // * By using,  copying,  modifying or  distri     20 // * By using,  copying,  modifying or  distributing the software (or *
 21 // * any work based  on the software)  you  ag     21 // * any work based  on the software)  you  agree  to acknowledge its *
 22 // * use  in  resulting  scientific  publicati     22 // * use  in  resulting  scientific  publications,  and indicate your *
 23 // * acceptance of all terms of the Geant4 Sof     23 // * acceptance of all terms of the Geant4 Software license.          *
 24 // *******************************************     24 // ********************************************************************
 25 //                                                 25 //
 26 //                                                 26 //
 27                                                    27 
 28 //                                                 28 //
 29 // Author: Riccardo Capra <capra@ge.infn.it>       29 // Author: Riccardo Capra <capra@ge.infn.it>
 30 // Code review by MGP October 2007: removed in     30 // Code review by MGP October 2007: removed inheritance from concrete class
 31 //                                  more impro     31 //                                  more improvements needed
 32 //                                                 32 //
 33 // History:                                        33 // History:
 34 // -----------                                     34 // -----------
 35 // 30 Jun 2005  RC           Created               35 // 30 Jun 2005  RC           Created
 36 // 14 Oct 2007  MGP          Removed inheritan     36 // 14 Oct 2007  MGP          Removed inheritance from concrete class G4ShellEMDataSet
 37 //                                                 37 //
 38 // 15 Jul 2009   N.A.Karakatsanis                  38 // 15 Jul 2009   N.A.Karakatsanis
 39 //                                                 39 //
 40 //                           - LoadNonLogData      40 //                           - LoadNonLogData method was created to load only the non-logarithmic data from G4EMLOW
 41 //                             dataset. It is      41 //                             dataset. It is essentially performing the data loading operations as in the past.
 42 //                                                 42 //
 43 //                           - LoadData method     43 //                           - LoadData method was revised in order to calculate the logarithmic values of the data
 44 //                             It retrieves th     44 //                             It retrieves the data values from the G4EMLOW data files but, then, calculates the
 45 //                             respective log      45 //                             respective log values and loads them to seperate data structures. 
 46 //                                                 46 //
 47 //                           - SetLogEnergiesD     47 //                           - SetLogEnergiesData method was cretaed to set logarithmic values to G4 data vectors.
 48 //                             The EM data set     48 //                             The EM data sets, initialized this way, contain both non-log and log values.
 49 //                             These initializ     49 //                             These initialized data sets can enhance the computing performance of data interpolation
 50 //                             operations          50 //                             operations
 51 //                                                 51 //
 52 //                                                 52 //
 53 // -------------------------------------------     53 // -------------------------------------------------------------------
 54                                                    54 
 55                                                    55 
 56 #include "G4DNACrossSectionDataSet.hh"             56 #include "G4DNACrossSectionDataSet.hh"
 57 #include "G4VDataSetAlgorithm.hh"                  57 #include "G4VDataSetAlgorithm.hh"
 58 #include "G4EMDataSet.hh"                          58 #include "G4EMDataSet.hh"
 59 #include <vector>                                  59 #include <vector>
 60 #include <fstream>                                 60 #include <fstream>
 61 #include <sstream>                                 61 #include <sstream>
 62                                                    62 
 63                                                    63 
 64 G4DNACrossSectionDataSet::G4DNACrossSectionDat     64 G4DNACrossSectionDataSet::G4DNACrossSectionDataSet(G4VDataSetAlgorithm* argAlgorithm, 
 65                G4double argUnitEnergies,           65                G4double argUnitEnergies, 
 66                G4double argUnitData)               66                G4double argUnitData)
 67   :                                                67   :
 68    algorithm(argAlgorithm), unitEnergies(argUn     68    algorithm(argAlgorithm), unitEnergies(argUnitEnergies), unitData(argUnitData)
 69 {                                                  69 {
 70   z = 0;                                           70   z = 0;
 71                                                    71 
 72 }                                                  72 }
 73                                                    73 
 74                                                    74 
 75 G4DNACrossSectionDataSet::~G4DNACrossSectionDa     75 G4DNACrossSectionDataSet::~G4DNACrossSectionDataSet()
 76 {                                                  76 {
 77   CleanUpComponents();                             77   CleanUpComponents();
 78                                                    78  
 79                                                <<  79   if (algorithm)
 80     delete algorithm;                              80     delete algorithm;
 81 }                                                  81 }
 82                                                    82 
 83 G4bool G4DNACrossSectionDataSet::LoadData(cons     83 G4bool G4DNACrossSectionDataSet::LoadData(const G4String & argFileName)
 84 {                                                  84 {
 85   CleanUpComponents();                             85   CleanUpComponents();
 86                                                    86 
 87   G4String fullFileName(FullFileName(argFileNa     87   G4String fullFileName(FullFileName(argFileName));
 88   std::ifstream in(fullFileName, std::ifstream     88   std::ifstream in(fullFileName, std::ifstream::binary|std::ifstream::in);
 89                                                    89 
 90   if (!in.is_open())                               90   if (!in.is_open())
 91     {                                              91     {
 92       G4String message("Data file \"");            92       G4String message("Data file \"");
 93       message+=fullFileName;                       93       message+=fullFileName;
 94       message+="\" not found";                     94       message+="\" not found";
 95       G4Exception("G4DNACrossSectionDataSet::L     95       G4Exception("G4DNACrossSectionDataSet::LoadData","em0003",
 96                       FatalException,message);     96                       FatalException,message);
 97       return false;                                97       return false;
 98     }                                              98     }
 99                                                    99 
100   std::vector<G4DataVector *> columns;            100   std::vector<G4DataVector *> columns;
101   std::vector<G4DataVector *> log_columns;        101   std::vector<G4DataVector *> log_columns;
102                                                   102 
103   auto stream(new std::stringstream);          << 103   std::stringstream *stream(new std::stringstream);
104   char c;                                         104   char c;
105   G4bool comment(false);                          105   G4bool comment(false);
106   G4bool space(true);                             106   G4bool space(true);
107   G4bool first(true);                             107   G4bool first(true);
108                                                   108 
109   try                                             109   try
110     {                                             110     {
111       while (!in.eof())                           111       while (!in.eof())
112   {                                               112   {
113     in.get(c);                                    113     in.get(c);
114                                                   114    
115     switch (c)                                    115     switch (c)
116       {                                           116       {
117       case '\r':                                  117       case '\r':
118       case '\n':                                  118       case '\n':
119         if (!first)                               119         if (!first)
120     {                                             120     {
121       unsigned long i(0);                         121       unsigned long i(0);
122       G4double value;                             122       G4double value;
123                                                   123       
124       while (!stream->eof())                      124       while (!stream->eof())
125         {                                         125         {
126           (*stream) >> value;                     126           (*stream) >> value;
127                                                   127        
128           while (i>=columns.size())               128           while (i>=columns.size())
129                         {                         129                         {
130        columns.push_back(new G4DataVector);       130        columns.push_back(new G4DataVector);
131                          log_columns.push_back    131                          log_columns.push_back(new G4DataVector);
132                         }                         132                         }
133                                                   133       
134           columns[i]->push_back(value);           134           columns[i]->push_back(value);
135                                                   135 
136 // N. A. Karakatsanis                             136 // N. A. Karakatsanis
137 // A condition is applied to check if negative    137 // A condition is applied to check if negative or zero values are present in the dataset.
138 // If yes, then a near-zero value is applied t    138 // If yes, then a near-zero value is applied to allow the computation of the logarithmic value
139 // If a value is zero, this simplification is     139 // If a value is zero, this simplification is acceptable
140 // If a value is negative, then it is not acce    140 // If a value is negative, then it is not acceptable and the data of the particular column of
141 // logarithmic values should not be used by in    141 // logarithmic values should not be used by interpolation methods.
142 //                                                142 //
143 // Therefore, G4LogLogInterpolation and G4LinL    143 // Therefore, G4LogLogInterpolation and G4LinLogLogInterpolation should not be used if negative values are present.
144 // Instead, G4LinInterpolation is safe in ever    144 // Instead, G4LinInterpolation is safe in every case
145 // SemiLogInterpolation is safe only if the en    145 // SemiLogInterpolation is safe only if the energy columns are non-negative
146 // G4LinLogInterpolation is safe only if the c    146 // G4LinLogInterpolation is safe only if the cross section data columns are non-negative
147                                                   147 
148                       if (value <=0.) value =     148                       if (value <=0.) value = 1e-300;
149                       log_columns[i]->push_bac    149                       log_columns[i]->push_back(std::log10(value));
150                                                   150        
151           i++;                                    151           i++;
152         }                                         152         }
153                                                   153       
154       delete stream;                              154       delete stream;
155       stream=new std::stringstream;               155       stream=new std::stringstream;
156     }                                             156     }
157                                                   157      
158         first=true;                               158         first=true;
159         comment=false;                            159         comment=false;
160         space=true;                               160         space=true;
161         break;                                    161         break;
162                                                   162 
163       case '#':                                   163       case '#':
164         comment=true;                             164         comment=true;
165         break;                                    165         break;
166                                                   166      
167       case '\t':                                  167       case '\t':
168       case ' ':                                   168       case ' ':
169         space = true;                             169         space = true;
170               break;                              170               break;
171                                                   171 
172       default:                                    172       default:
173         if (comment) { break; }                   173         if (comment) { break; }
174         if (space && (!first)) { (*stream) <<     174         if (space && (!first)) { (*stream) << ' '; }
175                                                   175 
176         first=false;                              176         first=false;
177         (*stream) << c;                           177         (*stream) << c;
178         space=false;                              178         space=false;
179       }                                           179       }
180   }                                               180   }
181     }                                             181     }
182   catch(const std::ios::failure &e)               182   catch(const std::ios::failure &e)
183     {                                             183     {
184       // some implementations of STL could thr    184       // some implementations of STL could throw a "failture" exception
185       // when read wants read characters after    185       // when read wants read characters after end of file
186     }                                             186     }
187                                                   187  
188   delete stream;                                  188   delete stream;
189                                                   189  
190   std::size_t maxI(columns.size());               190   std::size_t maxI(columns.size());
191                                                   191  
192   if (maxI<2)                                     192   if (maxI<2)
193     {                                             193     {
194       G4String message("Data file \"");           194       G4String message("Data file \"");
195       message+=fullFileName;                      195       message+=fullFileName;
196       message+="\" should have at least two co    196       message+="\" should have at least two columns";
197       G4Exception("G4DNACrossSectionDataSet::L    197       G4Exception("G4DNACrossSectionDataSet::LoadData","em0005",
198                       FatalException,message);    198                       FatalException,message);
199       return false;                               199       return false;
200     }                                             200     }
201                                                   201  
202   std::size_t i(1);                               202   std::size_t i(1);
203   while (i<maxI)                                  203   while (i<maxI)
204     {                                             204     {
205       std::size_t maxJ(columns[i]->size());       205       std::size_t maxJ(columns[i]->size());
206                                                   206 
207       if (maxJ!=columns[0]->size())               207       if (maxJ!=columns[0]->size())
208   {                                               208   {
209     G4String message("Data file \"");             209     G4String message("Data file \"");
210     message+=fullFileName;                        210     message+=fullFileName;
211     message+="\" has lines with a different nu    211     message+="\" has lines with a different number of columns";
212     G4Exception("G4DNACrossSectionDataSet::Loa    212     G4Exception("G4DNACrossSectionDataSet::LoadData","em0005",
213                       FatalException,message);    213                       FatalException,message);
214     return false;                                 214     return false;
215   }                                               215   }
216                                                   216 
217       std::size_t j(0);                           217       std::size_t j(0);
218                                                   218 
219       auto argEnergies=new G4DataVector;       << 219       G4DataVector *argEnergies=new G4DataVector;
220       auto argData=new G4DataVector;           << 220       G4DataVector *argData=new G4DataVector;
221       auto argLogEnergies=new G4DataVector;    << 221       G4DataVector *argLogEnergies=new G4DataVector;
222       auto argLogData=new G4DataVector;        << 222       G4DataVector *argLogData=new G4DataVector;
223                                                   223 
224       while(j<maxJ)                               224       while(j<maxJ)
225   {                                               225   {
226     argEnergies->push_back(columns[0]->operato    226     argEnergies->push_back(columns[0]->operator[] (j)*GetUnitEnergies());
227     argData->push_back(columns[i]->operator[]     227     argData->push_back(columns[i]->operator[] (j)*GetUnitData());
228     argLogEnergies->push_back(log_columns[0]->    228     argLogEnergies->push_back(log_columns[0]->operator[] (j) + std::log10(GetUnitEnergies()));
229     argLogData->push_back(log_columns[i]->oper    229     argLogData->push_back(log_columns[i]->operator[] (j) + std::log10(GetUnitData()));
230     j++;                                          230     j++;
231   }                                               231   }
232                                                   232 
233       AddComponent(new G4EMDataSet(G4int(i-1),    233       AddComponent(new G4EMDataSet(G4int(i-1), argEnergies, argData, argLogEnergies, argLogData, GetAlgorithm()->Clone(), GetUnitEnergies(), GetUnitData()));
234                                                   234   
235       i++;                                        235       i++;
236     }                                             236     }
237                                                   237 
238   i=maxI;                                         238   i=maxI;
239   while (i>0)                                     239   while (i>0)
240     {                                             240     {
241       i--;                                        241       i--;
242       delete columns[i];                          242       delete columns[i];
243       delete log_columns[i];                      243       delete log_columns[i];
244     }                                             244     }
245                                                   245 
246   return true;                                    246   return true;
247 }                                                 247 }
248                                                   248 
249                                                   249 
250 G4bool G4DNACrossSectionDataSet::LoadNonLogDat    250 G4bool G4DNACrossSectionDataSet::LoadNonLogData(const G4String & argFileName)
251 {                                                 251 {
252   CleanUpComponents();                            252   CleanUpComponents();
253                                                   253 
254   G4String fullFileName(FullFileName(argFileNa    254   G4String fullFileName(FullFileName(argFileName));
255   std::ifstream in(fullFileName, std::ifstream    255   std::ifstream in(fullFileName, std::ifstream::binary|std::ifstream::in);
256                                                   256 
257   if (!in.is_open())                              257   if (!in.is_open())
258     {                                             258     {
259       G4String message("Data file \"");           259       G4String message("Data file \"");
260       message+=fullFileName;                      260       message+=fullFileName;
261       message+="\" not found";                    261       message+="\" not found";
262       G4Exception("G4DNACrossSectionDataSet::L    262       G4Exception("G4DNACrossSectionDataSet::LoadData","em0003",
263                       FatalException,message);    263                       FatalException,message);
264       return false;                               264       return false;
265     }                                             265     }
266                                                   266 
267   std::vector<G4DataVector *> columns;            267   std::vector<G4DataVector *> columns;
268                                                   268 
269   auto stream(new std::stringstream);          << 269   std::stringstream *stream(new std::stringstream);
270   char c;                                         270   char c;
271   G4bool comment(false);                          271   G4bool comment(false);
272   G4bool space(true);                             272   G4bool space(true);
273   G4bool first(true);                             273   G4bool first(true);
274                                                   274 
275   try                                             275   try
276     {                                             276     {
277       while (!in.eof())                           277       while (!in.eof())
278   {                                               278   {
279     in.get(c);                                    279     in.get(c);
280                                                   280    
281     switch (c)                                    281     switch (c)
282       {                                           282       {
283       case '\r':                                  283       case '\r':
284       case '\n':                                  284       case '\n':
285         if (!first)                               285         if (!first)
286     {                                             286     {
287       unsigned long i(0);                         287       unsigned long i(0);
288       G4double value;                             288       G4double value;
289                                                   289       
290       while (!stream->eof())                      290       while (!stream->eof())
291         {                                         291         {
292           (*stream) >> value;                     292           (*stream) >> value;
293                                                   293        
294           while (i>=columns.size())               294           while (i>=columns.size())
295                         {                         295                         {
296        columns.push_back(new G4DataVector);       296        columns.push_back(new G4DataVector);
297                         }                         297                         }
298                                                   298       
299           columns[i]->push_back(value);           299           columns[i]->push_back(value);
300                                                   300        
301           i++;                                    301           i++;
302         }                                         302         }
303                                                   303       
304       delete stream;                              304       delete stream;
305       stream=new std::stringstream;               305       stream=new std::stringstream;
306     }                                             306     }
307                                                   307      
308         first=true;                               308         first=true;
309         comment=false;                            309         comment=false;
310         space=true;                               310         space=true;
311         break;                                    311         break;
312                                                   312 
313       case '#':                                   313       case '#':
314         comment=true;                             314         comment=true;
315         break;                                    315         break;
316                                                   316      
317       case '\t':                                  317       case '\t':
318       case ' ':                                   318       case ' ':
319         space = true;                             319         space = true;
320               break;                              320               break;
321                                                   321 
322       default:                                    322       default:
323         if (comment) { break; }                   323         if (comment) { break; }
324         if (space && (!first)) { (*stream) <<     324         if (space && (!first)) { (*stream) << ' '; }
325                                                   325 
326         first=false;                              326         first=false;
327         (*stream) << c;                           327         (*stream) << c;
328         space=false;                              328         space=false;
329       }                                           329       }
330   }                                               330   }
331     }                                             331     }
332   catch(const std::ios::failure &e)               332   catch(const std::ios::failure &e)
333     {                                             333     {
334       // some implementations of STL could thr    334       // some implementations of STL could throw a "failture" exception
335       // when read wants read characters after    335       // when read wants read characters after end of file
336     }                                             336     }
337                                                   337  
338   delete stream;                                  338   delete stream;
339                                                   339  
340   std::size_t maxI(columns.size());               340   std::size_t maxI(columns.size());
341                                                   341  
342   if (maxI<2)                                     342   if (maxI<2)
343     {                                             343     {
344       G4String message("Data file \"");           344       G4String message("Data file \"");
345       message+=fullFileName;                      345       message+=fullFileName;
346       message+="\" should have at least two co    346       message+="\" should have at least two columns";
347       G4Exception("G4DNACrossSectionDataSet::L    347       G4Exception("G4DNACrossSectionDataSet::LoadData","em0005",
348                       FatalException,message);    348                       FatalException,message);
349       return false;                               349       return false;
350     }                                             350     }
351                                                   351  
352   std::size_t i(1);                               352   std::size_t i(1);
353   while (i<maxI)                                  353   while (i<maxI)
354     {                                             354     {
355       std::size_t maxJ(columns[i]->size());       355       std::size_t maxJ(columns[i]->size());
356                                                   356 
357       if (maxJ!=columns[0]->size())               357       if (maxJ!=columns[0]->size())
358   {                                               358   {
359     G4String message("Data file \"");             359     G4String message("Data file \"");
360     message+=fullFileName;                        360     message+=fullFileName;
361     message+="\" has lines with a different nu    361     message+="\" has lines with a different number of columns.";
362           G4Exception("G4DNACrossSectionDataSe    362           G4Exception("G4DNACrossSectionDataSet::LoadData","em0005",
363                       FatalException,message);    363                       FatalException,message);
364     return false;                                 364     return false;
365   }                                               365   }
366                                                   366 
367       std::size_t j(0);                           367       std::size_t j(0);
368                                                   368 
369       auto argEnergies=new G4DataVector;       << 369       G4DataVector *argEnergies=new G4DataVector;
370       auto argData=new G4DataVector;           << 370       G4DataVector *argData=new G4DataVector;
371                                                   371 
372       while(j<maxJ)                               372       while(j<maxJ)
373   {                                               373   {
374     argEnergies->push_back(columns[0]->operato    374     argEnergies->push_back(columns[0]->operator[] (j)*GetUnitEnergies());
375     argData->push_back(columns[i]->operator[]     375     argData->push_back(columns[i]->operator[] (j)*GetUnitData());
376     j++;                                          376     j++;
377   }                                               377   }
378                                                   378 
379       AddComponent(new G4EMDataSet(G4int(i-1),    379       AddComponent(new G4EMDataSet(G4int(i-1), argEnergies, argData, GetAlgorithm()->Clone(), GetUnitEnergies(), GetUnitData()));
380                                                   380   
381       i++;                                        381       i++;
382     }                                             382     }
383                                                   383 
384   i=maxI;                                         384   i=maxI;
385   while (i>0)                                     385   while (i>0)
386     {                                             386     {
387       i--;                                        387       i--;
388       delete columns[i];                          388       delete columns[i];
389     }                                             389     }
390                                                   390 
391   return true;                                    391   return true;
392 }                                                 392 }
393                                                   393 
394                                                   394 
395 G4bool G4DNACrossSectionDataSet::SaveData(cons    395 G4bool G4DNACrossSectionDataSet::SaveData(const G4String & argFileName) const
396 {                                                 396 {
397   const std::size_t n(NumberOfComponents());      397   const std::size_t n(NumberOfComponents());
398                                                   398  
399   if (n==0)                                       399   if (n==0)
400     {                                             400     {
401       G4Exception("G4DNACrossSectionDataSet::S    401       G4Exception("G4DNACrossSectionDataSet::SaveData","em0005",
402                       FatalException,"Expected    402                       FatalException,"Expected at least one component");
403                                                   403 
404       return false;                               404       return false;
405     }                                             405     }
406                                                   406  
407   G4String fullFileName(FullFileName(argFileNa    407   G4String fullFileName(FullFileName(argFileName));
408   std::ofstream out(fullFileName);                408   std::ofstream out(fullFileName);
409                                                   409 
410   if (!out.is_open())                             410   if (!out.is_open())
411     {                                             411     {
412       G4String message("Cannot open \"");         412       G4String message("Cannot open \"");
413       message+=fullFileName;                      413       message+=fullFileName;
414       message+="\"";                              414       message+="\"";
415       G4Exception("G4DNACrossSectionDataSet::S    415       G4Exception("G4DNACrossSectionDataSet::SaveData","em0005",
416                       FatalException,message);    416                       FatalException,message);
417       return false;                               417       return false;
418     }                                             418     }
419                                                   419  
420   auto iEnergies(GetComponent(0)->GetEnergies( << 420   G4DataVector::const_iterator iEnergies(GetComponent(0)->GetEnergies(0).begin());
421   auto iEnergiesEnd(GetComponent(0)->GetEnergi << 421   G4DataVector::const_iterator iEnergiesEnd(GetComponent(0)->GetEnergies(0).end());
422   auto  iData(new G4DataVector::const_iterator << 422   G4DataVector::const_iterator * iData(new G4DataVector::const_iterator[n]);
423                                                   423  
424   std::size_t k(n);                               424   std::size_t k(n);
425                                                   425  
426   while (k>0)                                     426   while (k>0)
427     {                                             427     {
428       k--;                                        428       k--;
429       iData[k]=GetComponent((G4int)k)->GetData    429       iData[k]=GetComponent((G4int)k)->GetData(0).cbegin();
430     }                                             430     }
431                                                   431  
432   while (iEnergies!=iEnergiesEnd)                 432   while (iEnergies!=iEnergiesEnd)
433     {                                             433     {
434       out.precision(10);                          434       out.precision(10);
435       out.width(15);                              435       out.width(15);
436       out.setf(std::ofstream::left);              436       out.setf(std::ofstream::left);
437       out << ((*iEnergies)/GetUnitEnergies());    437       out << ((*iEnergies)/GetUnitEnergies());
438                                                   438   
439       k=0;                                        439       k=0;
440                                                   440   
441       while (k<n)                                 441       while (k<n)
442   {                                               442   {
443     out << ' ';                                   443     out << ' ';
444     out.precision(10);                            444     out.precision(10);
445     out.width(15);                                445     out.width(15);
446     out.setf(std::ofstream::left);                446     out.setf(std::ofstream::left);
447     out << ((*(iData[k]))/GetUnitData());         447     out << ((*(iData[k]))/GetUnitData());
448                                                   448 
449     iData[k]++;                                   449     iData[k]++;
450     k++;                                          450     k++;
451   }                                               451   }
452                                                   452   
453       out << std::endl;                           453       out << std::endl;
454                                                   454   
455       iEnergies++;                                455       iEnergies++;
456     }                                             456     }
457                                                   457  
458   delete[] iData;                                 458   delete[] iData;
459                                                   459 
460   return true;                                    460   return true;
461 }                                                 461 }
462                                                   462 
463                                                   463 
464 G4String G4DNACrossSectionDataSet::FullFileNam    464 G4String G4DNACrossSectionDataSet::FullFileName(const G4String& argFileName) const
465 {                                                 465 {
466   const char* path = G4FindDataDir("G4LEDATA")    466   const char* path = G4FindDataDir("G4LEDATA");
467   if (path == nullptr)                         << 467   if (!path)
468   {                                               468   {
469       G4Exception("G4DNACrossSectionDataSet::F    469       G4Exception("G4DNACrossSectionDataSet::FullFileName","em0006",
470                       FatalException,"G4LEDATA    470                       FatalException,"G4LEDATA environment variable not set.");
471                                                   471       
472       return "";                                  472       return "";
473   }                                               473   }
474                                                   474   
475   std::ostringstream fullFileName;                475   std::ostringstream fullFileName;
476                                                   476  
477   fullFileName << path << "/" << argFileName <    477   fullFileName << path << "/" << argFileName << ".dat";
478                                                   478                       
479   return G4String(fullFileName.str().c_str());    479   return G4String(fullFileName.str().c_str());
480 }                                                 480 }
481                                                   481 
482                                                   482 
483 G4double G4DNACrossSectionDataSet::FindValue(G    483 G4double G4DNACrossSectionDataSet::FindValue(G4double argEnergy, G4int /* argComponentId */) const
484 {                                                 484 {
485   // Returns the sum over the shells correspon    485   // Returns the sum over the shells corresponding to e
486   G4double value = 0.;                            486   G4double value = 0.;
487                                                   487 
488   auto i(components.begin());                  << 488   std::vector<G4VEMDataSet *>::const_iterator i(components.begin());
489   auto end(components.end());                  << 489   std::vector<G4VEMDataSet *>::const_iterator end(components.end());
490                                                   490 
491   while (i!=end)                                  491   while (i!=end)
492     {                                             492     {
493       value+=(*i)->FindValue(argEnergy);          493       value+=(*i)->FindValue(argEnergy);
494       i++;                                        494       i++;
495     }                                             495     }
496                                                   496 
497   return value;                                   497   return value;
498 }                                                 498 }
499                                                   499 
500                                                   500 
501 void G4DNACrossSectionDataSet::PrintData() con << 501 void G4DNACrossSectionDataSet::PrintData(void) const
502 {                                                 502 {
503   const auto  n = (G4int)NumberOfComponents(); << 503   const G4int n = (G4int)NumberOfComponents();
504                                                   504 
505   G4cout << "The data set has " << n << " comp    505   G4cout << "The data set has " << n << " components" << G4endl;
506   G4cout << G4endl;                               506   G4cout << G4endl;
507                                                   507  
508   G4int i(0);                                     508   G4int i(0);
509                                                   509  
510   while (i<n)                                     510   while (i<n)
511     {                                             511     {
512       G4cout << "--- Component " << i << " ---    512       G4cout << "--- Component " << i << " ---" << G4endl;
513       GetComponent(i)->PrintData();               513       GetComponent(i)->PrintData();
514       ++i;                                        514       ++i;
515     }                                             515     }
516 }                                                 516 }
517                                                   517 
518                                                   518 
519 void G4DNACrossSectionDataSet::SetEnergiesData    519 void G4DNACrossSectionDataSet::SetEnergiesData(G4DataVector* argEnergies, 
520            G4DataVector* argData,                 520            G4DataVector* argData, 
521            G4int argComponentId)                  521            G4int argComponentId)
522 {                                                 522 {
523   G4VEMDataSet * component(components[argCompo    523   G4VEMDataSet * component(components[argComponentId]);
524                                                   524  
525   if (component != nullptr)                    << 525   if (component)
526     {                                             526     {
527       component->SetEnergiesData(argEnergies,     527       component->SetEnergiesData(argEnergies, argData, 0);
528       return;                                     528       return;
529     }                                             529     }
530                                                   530 
531   std::ostringstream message;                     531   std::ostringstream message;
532   message << "Component " << argComponentId <<    532   message << "Component " << argComponentId << " not found";
533                                                   533  
534   G4Exception("G4DNACrossSectionDataSet::SetEn    534   G4Exception("G4DNACrossSectionDataSet::SetEnergiesData","em0005",
535                  FatalException,message.str().    535                  FatalException,message.str().c_str());
536                                                   536   
537 }                                                 537 }
538                                                   538 
539                                                   539 
540 void G4DNACrossSectionDataSet::SetLogEnergiesD    540 void G4DNACrossSectionDataSet::SetLogEnergiesData(G4DataVector* argEnergies, 
541            G4DataVector* argData,                 541            G4DataVector* argData,
542                                          G4Dat    542                                          G4DataVector* argLogEnergies,
543                                          G4Dat    543                                          G4DataVector* argLogData, 
544            G4int argComponentId)                  544            G4int argComponentId)
545 {                                                 545 {
546   G4VEMDataSet * component(components[argCompo    546   G4VEMDataSet * component(components[argComponentId]);
547                                                   547  
548   if (component != nullptr)                    << 548   if (component)
549     {                                             549     {
550       component->SetLogEnergiesData(argEnergie    550       component->SetLogEnergiesData(argEnergies, argData, argLogEnergies, argLogData, 0);
551       return;                                     551       return;
552     }                                             552     }
553                                                   553 
554   std::ostringstream message;                     554   std::ostringstream message;
555   message << "Component " << argComponentId <<    555   message << "Component " << argComponentId << " not found";
556                                                   556  
557   G4Exception("G4DNACrossSectionDataSet::SetLo    557   G4Exception("G4DNACrossSectionDataSet::SetLogEnergiesData","em0005",
558                  FatalException,message.str().    558                  FatalException,message.str().c_str());
559                                                   559 
560 }                                                 560 }
561                                                   561 
562                                                   562 
563 void G4DNACrossSectionDataSet::CleanUpComponen    563 void G4DNACrossSectionDataSet::CleanUpComponents()
564 {                                                 564 {
565   while (!components.empty())                     565   while (!components.empty())
566     {                                             566     {
567       if (components.back() != nullptr) delete << 567       if (components.back()) delete components.back();
568       components.pop_back();                      568       components.pop_back();
569     }                                             569     }
570 }                                                 570 }
571                                                   571 
572                                                   572 
573                                                   573