Geant4 Cross Reference

Cross-Referencing   Geant4
Geant4/processes/electromagnetic/dna/utils/src/G4DNACrossSectionDataSet.cc

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  1 //
  2 // ********************************************************************
  3 // * License and Disclaimer                                           *
  4 // *                                                                  *
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 10 // *                                                                  *
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 14 // * regarding  this  software system or assume any liability for its *
 15 // * use.  Please see the license in the file  LICENSE  and URL above *
 16 // * for the full disclaimer and the limitation of liability.         *
 17 // *                                                                  *
 18 // * This  code  implementation is the result of  the  scientific and *
 19 // * technical work of the GEANT4 collaboration.                      *
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 21 // * any work based  on the software)  you  agree  to acknowledge its *
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 23 // * acceptance of all terms of the Geant4 Software license.          *
 24 // ********************************************************************
 25 //
 26 //
 27 
 28 //
 29 // Author: Riccardo Capra <capra@ge.infn.it>
 30 // Code review by MGP October 2007: removed inheritance from concrete class
 31 //                                  more improvements needed
 32 //
 33 // History:
 34 // -----------
 35 // 30 Jun 2005  RC           Created
 36 // 14 Oct 2007  MGP          Removed inheritance from concrete class G4ShellEMDataSet
 37 //
 38 // 15 Jul 2009   N.A.Karakatsanis
 39 //
 40 //                           - LoadNonLogData method was created to load only the non-logarithmic data from G4EMLOW
 41 //                             dataset. It is essentially performing the data loading operations as in the past.
 42 //
 43 //                           - LoadData method was revised in order to calculate the logarithmic values of the data
 44 //                             It retrieves the data values from the G4EMLOW data files but, then, calculates the
 45 //                             respective log values and loads them to seperate data structures. 
 46 //
 47 //                           - SetLogEnergiesData method was cretaed to set logarithmic values to G4 data vectors.
 48 //                             The EM data sets, initialized this way, contain both non-log and log values.
 49 //                             These initialized data sets can enhance the computing performance of data interpolation
 50 //                             operations
 51 //
 52 //
 53 // -------------------------------------------------------------------
 54 
 55 
 56 #include "G4DNACrossSectionDataSet.hh"
 57 #include "G4VDataSetAlgorithm.hh"
 58 #include "G4EMDataSet.hh"
 59 #include <vector>
 60 #include <fstream>
 61 #include <sstream>
 62 
 63 
 64 G4DNACrossSectionDataSet::G4DNACrossSectionDataSet(G4VDataSetAlgorithm* argAlgorithm, 
 65                G4double argUnitEnergies, 
 66                G4double argUnitData)
 67   :
 68    algorithm(argAlgorithm), unitEnergies(argUnitEnergies), unitData(argUnitData)
 69 {
 70   z = 0;
 71 
 72 }
 73 
 74 
 75 G4DNACrossSectionDataSet::~G4DNACrossSectionDataSet()
 76 {
 77   CleanUpComponents();
 78  
 79   
 80     delete algorithm;
 81 }
 82 
 83 G4bool G4DNACrossSectionDataSet::LoadData(const G4String & argFileName)
 84 {
 85   CleanUpComponents();
 86 
 87   G4String fullFileName(FullFileName(argFileName));
 88   std::ifstream in(fullFileName, std::ifstream::binary|std::ifstream::in);
 89 
 90   if (!in.is_open())
 91     {
 92       G4String message("Data file \"");
 93       message+=fullFileName;
 94       message+="\" not found";
 95       G4Exception("G4DNACrossSectionDataSet::LoadData","em0003",
 96                       FatalException,message);
 97       return false;
 98     }
 99 
100   std::vector<G4DataVector *> columns;
101   std::vector<G4DataVector *> log_columns;
102 
103   auto stream(new std::stringstream);
104   char c;
105   G4bool comment(false);
106   G4bool space(true);
107   G4bool first(true);
108 
109   try
110     {
111       while (!in.eof())
112   {
113     in.get(c);
114    
115     switch (c)
116       {
117       case '\r':
118       case '\n':
119         if (!first)
120     {
121       unsigned long i(0);
122       G4double value;
123       
124       while (!stream->eof())
125         {
126           (*stream) >> value;
127        
128           while (i>=columns.size())
129                         {
130        columns.push_back(new G4DataVector);
131                          log_columns.push_back(new G4DataVector);
132                         }
133       
134           columns[i]->push_back(value);
135 
136 // N. A. Karakatsanis
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 to allow the computation of the logarithmic value
139 // If a value is zero, this simplification is acceptable
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 interpolation methods.
142 //
143 // Therefore, G4LogLogInterpolation and G4LinLogLogInterpolation should not be used if negative values are present.
144 // Instead, G4LinInterpolation is safe in every case
145 // SemiLogInterpolation is safe only if the energy columns are non-negative
146 // G4LinLogInterpolation is safe only if the cross section data columns are non-negative
147 
148                       if (value <=0.) value = 1e-300;
149                       log_columns[i]->push_back(std::log10(value));
150        
151           i++;
152         }
153       
154       delete stream;
155       stream=new std::stringstream;
156     }
157      
158         first=true;
159         comment=false;
160         space=true;
161         break;
162 
163       case '#':
164         comment=true;
165         break;
166      
167       case '\t':
168       case ' ':
169         space = true;
170               break;
171 
172       default:
173         if (comment) { break; }
174         if (space && (!first)) { (*stream) << ' '; }
175 
176         first=false;
177         (*stream) << c;
178         space=false;
179       }
180   }
181     }
182   catch(const std::ios::failure &e)
183     {
184       // some implementations of STL could throw a "failture" exception
185       // when read wants read characters after end of file
186     }
187  
188   delete stream;
189  
190   std::size_t maxI(columns.size());
191  
192   if (maxI<2)
193     {
194       G4String message("Data file \"");
195       message+=fullFileName;
196       message+="\" should have at least two columns";
197       G4Exception("G4DNACrossSectionDataSet::LoadData","em0005",
198                       FatalException,message);
199       return false;
200     }
201  
202   std::size_t i(1);
203   while (i<maxI)
204     {
205       std::size_t maxJ(columns[i]->size());
206 
207       if (maxJ!=columns[0]->size())
208   {
209     G4String message("Data file \"");
210     message+=fullFileName;
211     message+="\" has lines with a different number of columns";
212     G4Exception("G4DNACrossSectionDataSet::LoadData","em0005",
213                       FatalException,message);
214     return false;
215   }
216 
217       std::size_t j(0);
218 
219       auto argEnergies=new G4DataVector;
220       auto argData=new G4DataVector;
221       auto argLogEnergies=new G4DataVector;
222       auto argLogData=new G4DataVector;
223 
224       while(j<maxJ)
225   {
226     argEnergies->push_back(columns[0]->operator[] (j)*GetUnitEnergies());
227     argData->push_back(columns[i]->operator[] (j)*GetUnitData());
228     argLogEnergies->push_back(log_columns[0]->operator[] (j) + std::log10(GetUnitEnergies()));
229     argLogData->push_back(log_columns[i]->operator[] (j) + std::log10(GetUnitData()));
230     j++;
231   }
232 
233       AddComponent(new G4EMDataSet(G4int(i-1), argEnergies, argData, argLogEnergies, argLogData, GetAlgorithm()->Clone(), GetUnitEnergies(), GetUnitData()));
234   
235       i++;
236     }
237 
238   i=maxI;
239   while (i>0)
240     {
241       i--;
242       delete columns[i];
243       delete log_columns[i];
244     }
245 
246   return true;
247 }
248 
249 
250 G4bool G4DNACrossSectionDataSet::LoadNonLogData(const G4String & argFileName)
251 {
252   CleanUpComponents();
253 
254   G4String fullFileName(FullFileName(argFileName));
255   std::ifstream in(fullFileName, std::ifstream::binary|std::ifstream::in);
256 
257   if (!in.is_open())
258     {
259       G4String message("Data file \"");
260       message+=fullFileName;
261       message+="\" not found";
262       G4Exception("G4DNACrossSectionDataSet::LoadData","em0003",
263                       FatalException,message);
264       return false;
265     }
266 
267   std::vector<G4DataVector *> columns;
268 
269   auto stream(new std::stringstream);
270   char c;
271   G4bool comment(false);
272   G4bool space(true);
273   G4bool first(true);
274 
275   try
276     {
277       while (!in.eof())
278   {
279     in.get(c);
280    
281     switch (c)
282       {
283       case '\r':
284       case '\n':
285         if (!first)
286     {
287       unsigned long i(0);
288       G4double value;
289       
290       while (!stream->eof())
291         {
292           (*stream) >> value;
293        
294           while (i>=columns.size())
295                         {
296        columns.push_back(new G4DataVector);
297                         }
298       
299           columns[i]->push_back(value);
300        
301           i++;
302         }
303       
304       delete stream;
305       stream=new std::stringstream;
306     }
307      
308         first=true;
309         comment=false;
310         space=true;
311         break;
312 
313       case '#':
314         comment=true;
315         break;
316      
317       case '\t':
318       case ' ':
319         space = true;
320               break;
321 
322       default:
323         if (comment) { break; }
324         if (space && (!first)) { (*stream) << ' '; }
325 
326         first=false;
327         (*stream) << c;
328         space=false;
329       }
330   }
331     }
332   catch(const std::ios::failure &e)
333     {
334       // some implementations of STL could throw a "failture" exception
335       // when read wants read characters after end of file
336     }
337  
338   delete stream;
339  
340   std::size_t maxI(columns.size());
341  
342   if (maxI<2)
343     {
344       G4String message("Data file \"");
345       message+=fullFileName;
346       message+="\" should have at least two columns";
347       G4Exception("G4DNACrossSectionDataSet::LoadData","em0005",
348                       FatalException,message);
349       return false;
350     }
351  
352   std::size_t i(1);
353   while (i<maxI)
354     {
355       std::size_t maxJ(columns[i]->size());
356 
357       if (maxJ!=columns[0]->size())
358   {
359     G4String message("Data file \"");
360     message+=fullFileName;
361     message+="\" has lines with a different number of columns.";
362           G4Exception("G4DNACrossSectionDataSet::LoadData","em0005",
363                       FatalException,message);
364     return false;
365   }
366 
367       std::size_t j(0);
368 
369       auto argEnergies=new G4DataVector;
370       auto argData=new G4DataVector;
371 
372       while(j<maxJ)
373   {
374     argEnergies->push_back(columns[0]->operator[] (j)*GetUnitEnergies());
375     argData->push_back(columns[i]->operator[] (j)*GetUnitData());
376     j++;
377   }
378 
379       AddComponent(new G4EMDataSet(G4int(i-1), argEnergies, argData, GetAlgorithm()->Clone(), GetUnitEnergies(), GetUnitData()));
380   
381       i++;
382     }
383 
384   i=maxI;
385   while (i>0)
386     {
387       i--;
388       delete columns[i];
389     }
390 
391   return true;
392 }
393 
394 
395 G4bool G4DNACrossSectionDataSet::SaveData(const G4String & argFileName) const
396 {
397   const std::size_t n(NumberOfComponents());
398  
399   if (n==0)
400     {
401       G4Exception("G4DNACrossSectionDataSet::SaveData","em0005",
402                       FatalException,"Expected at least one component");
403 
404       return false;
405     }
406  
407   G4String fullFileName(FullFileName(argFileName));
408   std::ofstream out(fullFileName);
409 
410   if (!out.is_open())
411     {
412       G4String message("Cannot open \"");
413       message+=fullFileName;
414       message+="\"";
415       G4Exception("G4DNACrossSectionDataSet::SaveData","em0005",
416                       FatalException,message);
417       return false;
418     }
419  
420   auto iEnergies(GetComponent(0)->GetEnergies(0).begin());
421   auto iEnergiesEnd(GetComponent(0)->GetEnergies(0).end());
422   auto  iData(new G4DataVector::const_iterator[n]);
423  
424   std::size_t k(n);
425  
426   while (k>0)
427     {
428       k--;
429       iData[k]=GetComponent((G4int)k)->GetData(0).cbegin();
430     }
431  
432   while (iEnergies!=iEnergiesEnd)
433     {
434       out.precision(10);
435       out.width(15);
436       out.setf(std::ofstream::left);
437       out << ((*iEnergies)/GetUnitEnergies());
438   
439       k=0;
440   
441       while (k<n)
442   {
443     out << ' ';
444     out.precision(10);
445     out.width(15);
446     out.setf(std::ofstream::left);
447     out << ((*(iData[k]))/GetUnitData());
448 
449     iData[k]++;
450     k++;
451   }
452   
453       out << std::endl;
454   
455       iEnergies++;
456     }
457  
458   delete[] iData;
459 
460   return true;
461 }
462 
463 
464 G4String G4DNACrossSectionDataSet::FullFileName(const G4String& argFileName) const
465 {
466   const char* path = G4FindDataDir("G4LEDATA");
467   if (path == nullptr)
468   {
469       G4Exception("G4DNACrossSectionDataSet::FullFileName","em0006",
470                       FatalException,"G4LEDATA environment variable not set.");
471       
472       return "";
473   }
474   
475   std::ostringstream fullFileName;
476  
477   fullFileName << path << "/" << argFileName << ".dat";
478                       
479   return G4String(fullFileName.str().c_str());
480 }
481 
482 
483 G4double G4DNACrossSectionDataSet::FindValue(G4double argEnergy, G4int /* argComponentId */) const
484 {
485   // Returns the sum over the shells corresponding to e
486   G4double value = 0.;
487 
488   auto i(components.begin());
489   auto end(components.end());
490 
491   while (i!=end)
492     {
493       value+=(*i)->FindValue(argEnergy);
494       i++;
495     }
496 
497   return value;
498 }
499 
500 
501 void G4DNACrossSectionDataSet::PrintData() const
502 {
503   const auto  n = (G4int)NumberOfComponents();
504 
505   G4cout << "The data set has " << n << " components" << G4endl;
506   G4cout << G4endl;
507  
508   G4int i(0);
509  
510   while (i<n)
511     {
512       G4cout << "--- Component " << i << " ---" << G4endl;
513       GetComponent(i)->PrintData();
514       ++i;
515     }
516 }
517 
518 
519 void G4DNACrossSectionDataSet::SetEnergiesData(G4DataVector* argEnergies, 
520            G4DataVector* argData, 
521            G4int argComponentId)
522 {
523   G4VEMDataSet * component(components[argComponentId]);
524  
525   if (component != nullptr)
526     {
527       component->SetEnergiesData(argEnergies, argData, 0);
528       return;
529     }
530 
531   std::ostringstream message;
532   message << "Component " << argComponentId << " not found";
533  
534   G4Exception("G4DNACrossSectionDataSet::SetEnergiesData","em0005",
535                  FatalException,message.str().c_str());
536   
537 }
538 
539 
540 void G4DNACrossSectionDataSet::SetLogEnergiesData(G4DataVector* argEnergies, 
541            G4DataVector* argData,
542                                          G4DataVector* argLogEnergies,
543                                          G4DataVector* argLogData, 
544            G4int argComponentId)
545 {
546   G4VEMDataSet * component(components[argComponentId]);
547  
548   if (component != nullptr)
549     {
550       component->SetLogEnergiesData(argEnergies, argData, argLogEnergies, argLogData, 0);
551       return;
552     }
553 
554   std::ostringstream message;
555   message << "Component " << argComponentId << " not found";
556  
557   G4Exception("G4DNACrossSectionDataSet::SetLogEnergiesData","em0005",
558                  FatalException,message.str().c_str());
559 
560 }
561 
562 
563 void G4DNACrossSectionDataSet::CleanUpComponents()
564 {
565   while (!components.empty())
566     {
567       if (components.back() != nullptr) delete components.back();
568       components.pop_back();
569     }
570 }
571 
572 
573