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Geant4/processes/electromagnetic/dna/models/src/G4DNARuddIonisationModel.cc

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Differences between /processes/electromagnetic/dna/models/src/G4DNARuddIonisationModel.cc (Version 11.3.0) and /processes/electromagnetic/dna/models/src/G4DNARuddIonisationModel.cc (Version 2.0)


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 27                                                   
 28 #include "G4DNARuddIonisationModel.hh"            
 29 #include "G4PhysicalConstants.hh"                 
 30 #include "G4SystemOfUnits.hh"                     
 31 #include "G4UAtomicDeexcitation.hh"               
 32 #include "G4LossTableManager.hh"                  
 33 #include "G4DNAChemistryManager.hh"               
 34 #include "G4DNAMolecularMaterial.hh"              
 35 #include "G4DNARuddAngle.hh"                      
 36 #include "G4DeltaAngle.hh"                        
 37 #include "G4Exp.hh"                               
 38 #include "G4Pow.hh"                               
 39 #include "G4Log.hh"                               
 40 #include "G4Alpha.hh"                             
 41                                                   
 42 static G4Pow * gpow = G4Pow::GetInstance();       
 43 //....oooOO0OOooo........oooOO0OOooo........oo    
 44                                                   
 45 using namespace std;                              
 46                                                   
 47 //....oooOO0OOooo........oooOO0OOooo........oo    
 48                                                   
 49 G4DNARuddIonisationModel::G4DNARuddIonisationM    
 50                                                   
 51 G4VEmModel(nam)                                   
 52 {                                                 
 53   slaterEffectiveCharge[0] = 0.;                  
 54   slaterEffectiveCharge[1] = 0.;                  
 55   slaterEffectiveCharge[2] = 0.;                  
 56   sCoefficient[0] = 0.;                           
 57   sCoefficient[1] = 0.;                           
 58   sCoefficient[2] = 0.;                           
 59                                                   
 60   lowEnergyLimitForZ1 = 0 * eV;                   
 61   lowEnergyLimitForZ2 = 0 * eV;                   
 62   lowEnergyLimitOfModelForZ1 = 100 * eV;          
 63   lowEnergyLimitOfModelForZ2 = 1 * keV;           
 64   killBelowEnergyForZ1 = lowEnergyLimitOfModel    
 65   killBelowEnergyForZ2 = lowEnergyLimitOfModel    
 66                                                   
 67   verboseLevel = 0;                               
 68   // Verbosity scale:                             
 69   // 0 = nothing                                  
 70   // 1 = warning for energy non-conservation      
 71   // 2 = details of energy budget                 
 72   // 3 = calculation of cross sections, file o    
 73   // 4 = entering in methods                      
 74                                                   
 75   if (verboseLevel > 0)                           
 76   {                                               
 77     G4cout << "Rudd ionisation model is constr    
 78   }                                               
 79                                                   
 80   // Define default angular generator             
 81   SetAngularDistribution(new G4DNARuddAngle())    
 82                                                   
 83   // Mark this model as "applicable" for atomi    
 84   SetDeexcitationFlag(true);                      
 85                                                   
 86  // Selection of stationary mode                  
 87                                                   
 88   statCode = false;                               
 89 }                                                 
 90                                                   
 91 //....oooOO0OOooo........oooOO0OOooo........oo    
 92                                                   
 93 G4DNARuddIonisationModel::~G4DNARuddIonisation    
 94 {                                                 
 95   // Cross section                                
 96                                                   
 97   std::map<G4String, G4DNACrossSectionDataSet*    
 98   for (pos = tableData.begin(); pos != tableDa    
 99   {                                               
100     G4DNACrossSectionDataSet* table = pos->sec    
101     delete table;                                 
102   }                                               
103                                                   
104   // The following removal is forbidden since     
105   // Coverity however will signal this as an e    
106   // if (fAtomDeexcitation) {delete  fAtomDeex    
107                                                   
108 }                                                 
109                                                   
110 //....oooOO0OOooo........oooOO0OOooo........oo    
111                                                   
112 void G4DNARuddIonisationModel::Initialise(cons    
113                                           cons    
114 {                                                 
115                                                   
116   if (verboseLevel > 3)                           
117   {                                               
118     G4cout << "Calling G4DNARuddIonisationMode    
119   }                                               
120                                                   
121   // Energy limits                                
122                                                   
123   G4String fileProton("dna/sigma_ionisation_p_    
124   G4String fileHydrogen("dna/sigma_ionisation_    
125   G4String fileAlphaPlusPlus("dna/sigma_ionisa    
126   G4String fileAlphaPlus("dna/sigma_ionisation    
127   G4String fileHelium("dna/sigma_ionisation_he    
128                                                   
129   G4DNAGenericIonsManager *instance;              
130   instance = G4DNAGenericIonsManager::Instance    
131   protonDef = G4Proton::ProtonDefinition();       
132   hydrogenDef = instance->GetIon("hydrogen");     
133   alphaPlusPlusDef = G4Alpha::Alpha();            
134   alphaPlusDef = instance->GetIon("alpha+");      
135   heliumDef = instance->GetIon("helium");         
136                                                   
137   G4String proton;                                
138   G4String hydrogen;                              
139   G4String alphaPlusPlus;                         
140   G4String alphaPlus;                             
141   G4String helium;                                
142                                                   
143   G4double scaleFactor = 1 * m*m;                 
144                                                   
145   // LIMITS AND DATA                              
146                                                   
147   // *****************************************    
148                                                   
149   proton = protonDef->GetParticleName();          
150   tableFile[proton] = fileProton;                 
151                                                   
152   lowEnergyLimit[proton] = lowEnergyLimitForZ1    
153   highEnergyLimit[proton] = 500. * keV;           
154                                                   
155   // Cross section                                
156                                                   
157   auto  tableProton = new G4DNACrossSectionDat    
158       eV,                                         
159       scaleFactor );                              
160   tableProton->LoadData(fileProton);              
161   tableData[proton] = tableProton;                
162                                                   
163   // *****************************************    
164                                                   
165   hydrogen = hydrogenDef->GetParticleName();      
166   tableFile[hydrogen] = fileHydrogen;             
167                                                   
168   lowEnergyLimit[hydrogen] = lowEnergyLimitFor    
169   highEnergyLimit[hydrogen] = 100. * MeV;         
170                                                   
171   // Cross section                                
172                                                   
173   auto  tableHydrogen = new G4DNACrossSectionD    
174       eV,                                         
175       scaleFactor );                              
176   tableHydrogen->LoadData(fileHydrogen);          
177                                                   
178   tableData[hydrogen] = tableHydrogen;            
179                                                   
180   // *****************************************    
181                                                   
182   alphaPlusPlus = alphaPlusPlusDef->GetParticl    
183   tableFile[alphaPlusPlus] = fileAlphaPlusPlus    
184                                                   
185   lowEnergyLimit[alphaPlusPlus] = lowEnergyLim    
186   highEnergyLimit[alphaPlusPlus] = 400. * MeV;    
187                                                   
188   // Cross section                                
189                                                   
190   auto  tableAlphaPlusPlus = new G4DNACrossSec    
191       eV,                                         
192       scaleFactor );                              
193   tableAlphaPlusPlus->LoadData(fileAlphaPlusPl    
194                                                   
195   tableData[alphaPlusPlus] = tableAlphaPlusPlu    
196                                                   
197   // *****************************************    
198                                                   
199   alphaPlus = alphaPlusDef->GetParticleName();    
200   tableFile[alphaPlus] = fileAlphaPlus;           
201                                                   
202   lowEnergyLimit[alphaPlus] = lowEnergyLimitFo    
203   highEnergyLimit[alphaPlus] = 400. * MeV;        
204                                                   
205   // Cross section                                
206                                                   
207   auto  tableAlphaPlus = new G4DNACrossSection    
208       eV,                                         
209       scaleFactor );                              
210   tableAlphaPlus->LoadData(fileAlphaPlus);        
211   tableData[alphaPlus] = tableAlphaPlus;          
212                                                   
213   // *****************************************    
214                                                   
215   helium = heliumDef->GetParticleName();          
216   tableFile[helium] = fileHelium;                 
217                                                   
218   lowEnergyLimit[helium] = lowEnergyLimitForZ2    
219   highEnergyLimit[helium] = 400. * MeV;           
220                                                   
221   // Cross section                                
222                                                   
223   auto  tableHelium = new G4DNACrossSectionDat    
224       eV,                                         
225       scaleFactor );                              
226   tableHelium->LoadData(fileHelium);              
227   tableData[helium] = tableHelium;                
228                                                   
229   //                                              
230                                                   
231   if (particle==protonDef)                        
232   {                                               
233     SetLowEnergyLimit(lowEnergyLimit[proton]);    
234     SetHighEnergyLimit(highEnergyLimit[proton]    
235   }                                               
236                                                   
237   if (particle==hydrogenDef)                      
238   {                                               
239     SetLowEnergyLimit(lowEnergyLimit[hydrogen]    
240     SetHighEnergyLimit(highEnergyLimit[hydroge    
241   }                                               
242                                                   
243   if (particle==heliumDef)                        
244   {                                               
245     SetLowEnergyLimit(lowEnergyLimit[helium]);    
246     SetHighEnergyLimit(highEnergyLimit[helium]    
247   }                                               
248                                                   
249   if (particle==alphaPlusDef)                     
250   {                                               
251     SetLowEnergyLimit(lowEnergyLimit[alphaPlus    
252     SetHighEnergyLimit(highEnergyLimit[alphaPl    
253   }                                               
254                                                   
255   if (particle==alphaPlusPlusDef)                 
256   {                                               
257     SetLowEnergyLimit(lowEnergyLimit[alphaPlus    
258     SetHighEnergyLimit(highEnergyLimit[alphaPl    
259   }                                               
260                                                   
261   if( verboseLevel>0 )                            
262   {                                               
263     G4cout << "Rudd ionisation model is initia    
264     << "Energy range: "                           
265     << LowEnergyLimit() / eV << " eV - "          
266     << HighEnergyLimit() / keV << " keV for "     
267     << particle->GetParticleName()                
268     << G4endl;                                    
269   }                                               
270                                                   
271   // Initialize water density pointer             
272   fpWaterDensity = G4DNAMolecularMaterial::Ins    
273                                                   
274   //                                              
275                                                   
276   fAtomDeexcitation = G4LossTableManager::Inst    
277                                                   
278   if (isInitialised)                              
279   { return;}                                      
280   fParticleChangeForGamma = GetParticleChangeF    
281   isInitialised = true;                           
282                                                   
283 }                                                 
284                                                   
285 //....oooOO0OOooo........oooOO0OOooo........oo    
286                                                   
287 G4double G4DNARuddIonisationModel::CrossSectio    
288                                                   
289                                                   
290                                                   
291                                                   
292 {                                                 
293   if (verboseLevel > 3)                           
294   {                                               
295     G4cout << "Calling CrossSectionPerVolume()    
296         << G4endl;                                
297   }                                               
298                                                   
299   // Calculate total cross section for model      
300                                                   
301   if (                                            
302       particleDefinition != protonDef             
303       &&                                          
304       particleDefinition != hydrogenDef           
305       &&                                          
306       particleDefinition != alphaPlusPlusDef      
307       &&                                          
308       particleDefinition != alphaPlusDef          
309       &&                                          
310       particleDefinition != heliumDef             
311   )                                               
312                                                   
313   return 0;                                       
314                                                   
315   G4double lowLim = 0;                            
316                                                   
317   if ( particleDefinition == protonDef            
318       || particleDefinition == hydrogenDef        
319   )                                               
320                                                   
321   lowLim = lowEnergyLimitOfModelForZ1;            
322                                                   
323   if ( particleDefinition == alphaPlusPlusDef     
324       || particleDefinition == alphaPlusDef       
325       || particleDefinition == heliumDef          
326   )                                               
327                                                   
328   lowLim = lowEnergyLimitOfModelForZ2;            
329                                                   
330   G4double highLim = 0;                           
331   G4double sigma=0;                               
332                                                   
333   G4double waterDensity = (*fpWaterDensity)[ma    
334                                                   
335   const G4String& particleName = particleDefin    
336                                                   
337   // SI - the following is useless since lowLi    
338   /*                                              
339   std::map< G4String,G4double,std::less<G4Stri    
340   pos1 = lowEnergyLimit.find(particleName);       
341                                                   
342   if (pos1 != lowEnergyLimit.end())               
343   {                                               
344     lowLim = pos1->second;                        
345   }                                               
346   */                                              
347                                                   
348   std::map< G4String,G4double,std::less<G4Stri    
349   pos2 = highEnergyLimit.find(particleName);      
350                                                   
351   if (pos2 != highEnergyLimit.end())              
352   {                                               
353     highLim = pos2->second;                       
354   }                                               
355                                                   
356   if (k <= highLim)                               
357   {                                               
358     //SI : XS must not be zero otherwise sampl    
359                                                   
360     if (k < lowLim) k = lowLim;                   
361                                                   
362     //                                            
363                                                   
364     std::map< G4String,G4DNACrossSectionDataSe    
365     pos = tableData.find(particleName);           
366                                                   
367     if (pos != tableData.end())                   
368     {                                             
369       G4DNACrossSectionDataSet* table = pos->s    
370       if (table != nullptr)                       
371       {                                           
372         sigma = table->FindValue(k);              
373       }                                           
374     }                                             
375     else                                          
376     {                                             
377       G4Exception("G4DNARuddIonisationModel::C    
378           FatalException,"Model not applicable    
379     }                                             
380                                                   
381   }                                               
382                                                   
383   if (verboseLevel > 2)                           
384   {                                               
385     G4cout << "_______________________________    
386     G4cout << "G4DNARuddIonisationModel - XS I    
387     G4cout << "Kinetic energy(eV)=" << k/eV <<    
388     G4cout << "Cross section per water molecul    
389     G4cout << "Cross section per water molecul    
390     //G4cout << " - Cross section per water mo    
391     //<< sigma*material->GetAtomicNumDensityVe    
392     G4cout << "G4DNARuddIonisationModel - XS I    
393   }                                               
394                                                   
395   return sigma*waterDensity;                      
396                                                   
397 }                                                 
398                                                   
399 //....oooOO0OOooo........oooOO0OOooo........oo    
400                                                   
401 void G4DNARuddIonisationModel::SampleSecondari    
402                                                   
403                                                   
404                                                   
405                                                   
406 {                                                 
407   if (verboseLevel > 3)                           
408   {                                               
409     G4cout << "Calling SampleSecondaries() of     
410         << G4endl;                                
411   }                                               
412                                                   
413   G4double lowLim = 0;                            
414   G4double highLim = 0;                           
415                                                   
416   if ( particle->GetDefinition() == protonDef     
417       || particle->GetDefinition() == hydrogen    
418   )                                               
419                                                   
420   lowLim = killBelowEnergyForZ1;                  
421                                                   
422   if ( particle->GetDefinition() == alphaPlusP    
423       || particle->GetDefinition() == alphaPlu    
424       || particle->GetDefinition() == heliumDe    
425   )                                               
426                                                   
427   lowLim = killBelowEnergyForZ2;                  
428                                                   
429   G4double k = particle->GetKineticEnergy();      
430                                                   
431   const G4String& particleName = particle->Get    
432                                                   
433   // SI - the following is useless since lowLi    
434   /*                                              
435    std::map< G4String,G4double,std::less<G4Str    
436    pos1 = lowEnergyLimit.find(particleName);      
437                                                   
438    if (pos1 != lowEnergyLimit.end())              
439    {                                              
440    lowLim = pos1->second;                         
441    }                                              
442   */                                              
443                                                   
444   std::map< G4String,G4double,std::less<G4Stri    
445   pos2 = highEnergyLimit.find(particleName);      
446                                                   
447   if (pos2 != highEnergyLimit.end())              
448   {                                               
449     highLim = pos2->second;                       
450   }                                               
451                                                   
452   if (k >= lowLim && k <= highLim)                
453   {                                               
454     G4ParticleDefinition* definition = particl    
455     G4ParticleMomentum primaryDirection = part    
456     /*                                            
457      G4double particleMass = definition->GetPD    
458      G4double totalEnergy = k + particleMass;     
459      G4double pSquare = k*(totalEnergy+particl    
460      G4double totalMomentum = std::sqrt(pSquar    
461     */                                            
462                                                   
463     G4int ionizationShell = RandomSelect(k,par    
464                                                   
465     G4double bindingEnergy = 0;                   
466     bindingEnergy = waterStructure.IonisationE    
467                                                   
468     //SI: additional protection if tcs interpo    
469     if (k<bindingEnergy) return;                  
470     //                                            
471                                                   
472     // SI - For atom. deexc. tagging - 23/05/2    
473     G4int Z = 8;                                  
474     //                                            
475                                                   
476     G4double secondaryKinetic = RandomizeEject    
477                                                   
478     G4ThreeVector deltaDirection =                
479     GetAngularDistribution()->SampleDirectionF    
480         Z, ionizationShell,                       
481         couple->GetMaterial());                   
482                                                   
483     auto  dp = new G4DynamicParticle (G4Electr    
484     fvect->push_back(dp);                         
485                                                   
486     // Ignored for ions on electrons              
487     /*                                            
488      G4double deltaTotalMomentum = std::sqrt(s    
489                                                   
490      G4double finalPx = totalMomentum*primaryD    
491      G4double finalPy = totalMomentum*primaryD    
492      G4double finalPz = totalMomentum*primaryD    
493      G4double finalMomentum = std::sqrt(finalP    
494      finalPx /= finalMomentum;                    
495      finalPy /= finalMomentum;                    
496      finalPz /= finalMomentum;                    
497                                                   
498      G4ThreeVector direction;                     
499      direction.set(finalPx,finalPy,finalPz);      
500                                                   
501      fParticleChangeForGamma->ProposeMomentumD    
502     */                                            
503                                                   
504     fParticleChangeForGamma->ProposeMomentumDi    
505                                                   
506     // sample deexcitation                        
507     // here we assume that H_{2}O electronic l    
508     // this can be considered true with a roug    
509                                                   
510     size_t secNumberInit = 0;// need to know a    
511     size_t secNumberFinal = 0;// So I'll make     
512                                                   
513     G4double scatteredEnergy = k-bindingEnergy    
514                                                   
515     // SI: only atomic deexcitation from K she    
516     if((fAtomDeexcitation != nullptr) && ioniz    
517     {                                             
518       const G4AtomicShell* shell                  
519         = fAtomDeexcitation->GetAtomicShell(Z,    
520       secNumberInit = fvect->size();              
521       fAtomDeexcitation->GenerateParticles(fve    
522       secNumberFinal = fvect->size();             
523                                                   
524       if(secNumberFinal > secNumberInit)          
525       {                                           
526   for (size_t i=secNumberInit; i<secNumberFina    
527         {                                         
528           //Check if there is enough residual     
529           if (bindingEnergy >= ((*fvect)[i])->    
530           {                                       
531              //Ok, this is a valid secondary:     
532        bindingEnergy -= ((*fvect)[i])->GetKine    
533           }                                       
534           else                                    
535           {                                       
536        //Invalid secondary: not enough energy     
537        //Keep its energy in the local deposit     
538              delete (*fvect)[i];                  
539              (*fvect)[i]=nullptr;                 
540           }                                       
541   }                                               
542       }                                           
543                                                   
544     }                                             
545                                                   
546     //This should never happen                    
547     if(bindingEnergy < 0.0)                       
548      G4Exception("G4DNAEmfietzoglouIonisatioMo    
549                  "em2050",FatalException,"Nega    
550                                                   
551     //bindingEnergy has been decreased            
552     //by the amount of energy taken away by de    
553     if (!statCode)                                
554     {                                             
555       fParticleChangeForGamma->SetProposedKine    
556       fParticleChangeForGamma->ProposeLocalEne    
557     }                                             
558     else                                          
559     {                                             
560       fParticleChangeForGamma->SetProposedKine    
561       fParticleChangeForGamma->ProposeLocalEne    
562     }                                             
563                                                   
564     // debug                                      
565     // k-scatteredEnergy-secondaryKinetic-deex    
566     // = k-k+bindingEnergy+secondaryKinetic-se    
567     // = bindingEnergy-deexSecEnergy              
568     // SO deexSecEnergy=0 => LocalEnergyDeposi    
569                                                   
570     // TEST //////////////////////////            
571     // if (secondaryKinetic<0) abort();           
572     // if (scatteredEnergy<0) abort();            
573     // if (k-scatteredEnergy-secondaryKinetic-    
574     // if (k-scatteredEnergy<0) abort();          
575     /////////////////////////////////             
576                                                   
577     const G4Track * theIncomingTrack = fPartic    
578     G4DNAChemistryManager::Instance()->CreateW    
579         ionizationShell,                          
580         theIncomingTrack);                        
581   }                                               
582                                                   
583   // SI - not useful since low energy of model    
584                                                   
585   if (k < lowLim)                                 
586   {                                               
587     fParticleChangeForGamma->SetProposedKineti    
588     fParticleChangeForGamma->ProposeTrackStatu    
589     fParticleChangeForGamma->ProposeLocalEnerg    
590   }                                               
591                                                   
592 }                                                 
593                                                   
594 //....oooOO0OOooo........oooOO0OOooo........oo    
595                                                   
596 G4double G4DNARuddIonisationModel::RandomizeEj    
597                                                   
598                                                   
599 {                                                 
600   G4double maximumKineticEnergyTransfer = 0.;     
601                                                   
602   if (particleDefinition == protonDef             
603       || particleDefinition == hydrogenDef)       
604   {                                               
605     maximumKineticEnergyTransfer = 4. * (elect    
606   }                                               
607                                                   
608   else if (particleDefinition == heliumDef        
609       || particleDefinition == alphaPlusDef       
610       || particleDefinition == alphaPlusPlusDe    
611   {                                               
612     maximumKineticEnergyTransfer = 4. * (0.511    
613   }                                               
614                                                   
615   G4double crossSectionMaximum = 0.;              
616                                                   
617   for (G4double value = waterStructure.Ionisat    
618       value <= 5. * waterStructure.IonisationE    
619       value += 0.1 * eV)                          
620   {                                               
621     G4double differentialCrossSection =           
622         DifferentialCrossSection(particleDefin    
623     if (differentialCrossSection >= crossSecti    
624       crossSectionMaximum = differentialCrossS    
625   }                                               
626                                                   
627   G4double secElecKinetic = 0.;                   
628                                                   
629   do                                              
630   {                                               
631     secElecKinetic = G4UniformRand()* maximumK    
632   }while(G4UniformRand()*crossSectionMaximum >    
633           k,                                      
634           secElecKinetic+waterStructure.Ionisa    
635           shell));                                
636                                                   
637   return (secElecKinetic);                        
638 }                                                 
639                                                   
640 //....oooOO0OOooo........oooOO0OOooo........oo    
641                                                   
642 // The following section is not used anymore b    
643 // GetAngularDistribution()->SampleDirectionFo    
644                                                   
645 /*                                                
646  void G4DNARuddIonisationModel::RandomizeEject    
647  G4double k,                                      
648  G4double secKinetic,                             
649  G4double & cosTheta,                             
650  G4double & phi )                                 
651  {                                                
652  G4DNAGenericIonsManager *instance;               
653  instance = G4DNAGenericIonsManager::Instance(    
654                                                   
655  G4double maxSecKinetic = 0.;                     
656                                                   
657  if (particleDefinition == protonDef              
658  || particleDefinition == hydrogenDef)            
659  {                                                
660  maxSecKinetic = 4.* (electron_mass_c2 / proto    
661  }                                                
662                                                   
663  else if (particleDefinition == heliumDef         
664  || particleDefinition == alphaPlusDef            
665  || particleDefinition == alphaPlusPlusDef)       
666  {                                                
667  maxSecKinetic = 4.* (0.511 / 3728) * k;          
668  }                                                
669                                                   
670  phi = twopi * G4UniformRand();                   
671                                                   
672  // cosTheta = std::sqrt(secKinetic / maxSecKi    
673                                                   
674  // Restriction below 100 eV from Emfietzoglou    
675                                                   
676  if (secKinetic>100*eV) cosTheta = std::sqrt(s    
677  else cosTheta = (2.*G4UniformRand())-1.;         
678                                                   
679  }                                                
680  */                                               
681 //....oooOO0OOooo........oooOO0OOooo........oo    
682 G4double G4DNARuddIonisationModel::Differentia    
683                                                   
684                                                   
685                                                   
686 {                                                 
687   // Shells ids are 0 1 2 3 4 (4 is k shell)      
688   // !!Attention, "energyTransfer" here is the    
689   //             that the secondary kinetic en    
690   //                                              
691   //   ds            S                F1(nu) +    
692   //  ---- = G(k) * ----     -----------------    
693   //   dw            Bj       (1+w)^3 * [1 + e    
694   //                                              
695   // w is the secondary electron kinetic Energ    
696   //                                              
697   // All the other parameters can be found in     
698   //                                              
699   // M.Eugene Rudd, 1988, User-Friendly model     
700   // electrons from protons or electron collis    
701   //                                              
702                                                   
703   const G4int j = ionizationLevelIndex;           
704                                                   
705   G4double A1;                                    
706   G4double B1;                                    
707   G4double C1;                                    
708   G4double D1;                                    
709   G4double E1;                                    
710   G4double A2;                                    
711   G4double B2;                                    
712   G4double C2;                                    
713   G4double D2;                                    
714   G4double alphaConst;                            
715                                                   
716   //  const G4double Bj[5] = {12.61*eV, 14.73*    
717   // The following values are provided by M. d    
718   const G4double Bj[5] = { 12.60 * eV, 14.70 *    
719       * eV };                                     
720                                                   
721   if (j == 4)                                     
722   {                                               
723     //Data For Liquid Water K SHELL from Dingf    
724     A1 = 1.25;                                    
725     B1 = 0.5;                                     
726     C1 = 1.00;                                    
727     D1 = 1.00;                                    
728     E1 = 3.00;                                    
729     A2 = 1.10;                                    
730     B2 = 1.30;                                    
731     C2 = 1.00;                                    
732     D2 = 0.00;                                    
733     alphaConst = 0.66;                            
734   } else                                          
735   {                                               
736     //Data For Liquid Water from Dingfelder (P    
737     A1 = 1.02;                                    
738     B1 = 82.0;                                    
739     C1 = 0.45;                                    
740     D1 = -0.80;                                   
741     E1 = 0.38;                                    
742     A2 = 1.07;                                    
743     // Value provided by M. Dingfelder (priv.     
744     B2 = 11.6;                                    
745     //                                            
746     C2 = 0.60;                                    
747     D2 = 0.04;                                    
748     alphaConst = 0.64;                            
749   }                                               
750                                                   
751   const G4double n = 2.;                          
752   const G4double Gj[5] = { 0.99, 1.11, 1.11, 0    
753                                                   
754   G4double wBig = (energyTransfer                 
755       - waterStructure.IonisationEnergy(ioniza    
756   if (wBig < 0)                                   
757     return 0.;                                    
758                                                   
759   G4double w = wBig / Bj[ionizationLevelIndex]    
760   // Note that the following (j==4) cases are     
761   if (j == 4)                                     
762     w = wBig / waterStructure.IonisationEnergy    
763                                                   
764   G4double Ry = 13.6 * eV;                        
765                                                   
766   G4double tau = 0.;                              
767                                                   
768   G4bool isProtonOrHydrogen = false;              
769   G4bool isHelium = false;                        
770                                                   
771   if (particleDefinition == protonDef             
772       || particleDefinition == hydrogenDef)       
773   {                                               
774     isProtonOrHydrogen = true;                    
775     tau = (electron_mass_c2 / proton_mass_c2)     
776   }                                               
777                                                   
778   else if (particleDefinition == heliumDef        
779       || particleDefinition == alphaPlusDef       
780       || particleDefinition == alphaPlusPlusDe    
781   {                                               
782     isHelium = true;                              
783     tau = (0.511 / 3728.) * k;                    
784   }                                               
785                                                   
786   G4double S = 4. * pi * Bohr_radius * Bohr_ra    
787       * gpow->powN((Ry / Bj[ionizationLevelInd    
788   if (j == 4)                                     
789     S = 4. * pi * Bohr_radius * Bohr_radius *     
790         * gpow->powN((Ry / waterStructure.Ioni    
791                    2);                            
792                                                   
793   G4double v2 = tau / Bj[ionizationLevelIndex]    
794   if (j == 4)                                     
795     v2 = tau / waterStructure.IonisationEnergy    
796                                                   
797   G4double v = std::sqrt(v2);                     
798   G4double wc = 4. * v2 - 2. * v - (Ry / (4. *    
799   if (j == 4)                                     
800     wc = 4. * v2 - 2. * v                         
801         - (Ry / (4. * waterStructure.Ionisatio    
802                                                   
803   G4double L1 = (C1 * gpow->powA(v, (D1))) / (    
804   G4double L2 = C2 * gpow->powA(v, (D2));         
805   G4double H1 = (A1 * G4Log(1. + v2)) / (v2 +     
806   G4double H2 = (A2 / v2) + (B2 / (v2 * v2));     
807                                                   
808   G4double F1 = L1 + H1;                          
809   G4double F2 = (L2 * H2) / (L2 + H2);            
810                                                   
811   G4double sigma =                                
812       CorrectionFactor(particleDefinition, k)     
813           * (S / Bj[ionizationLevelIndex])        
814           * ((F1 + w * F2)                        
815               / (gpow->powN((1. + w), 3)          
816                   * (1. + G4Exp(alphaConst * (    
817                                                   
818   if (j == 4)                                     
819     sigma = CorrectionFactor(particleDefinitio    
820         * (S / waterStructure.IonisationEnergy    
821         * ((F1 + w * F2)                          
822             / (gpow->powN((1. + w), 3)            
823                 * (1. + G4Exp(alphaConst * (w     
824                                                   
825   if ((particleDefinition == hydrogenDef)         
826       && (ionizationLevelIndex == 4))             
827   {                                               
828     //    sigma = Gj[j] * (S/Bj[ionizationLeve    
829     sigma = Gj[j] * (S / waterStructure.Ionisa    
830         * ((F1 + w * F2)                          
831             / (gpow->powN((1. + w), 3)            
832                 * (1. + G4Exp(alphaConst * (w     
833   }                                               
834                                                   
835   //    if (    particleDefinition == protonDe    
836   //            || particleDefinition == hydro    
837   //            )                                 
838                                                   
839   if (isProtonOrHydrogen)                         
840   {                                               
841     return (sigma);                               
842   }                                               
843                                                   
844   if (particleDefinition == alphaPlusPlusDef)     
845   {                                               
846     slaterEffectiveCharge[0] = 0.;                
847     slaterEffectiveCharge[1] = 0.;                
848     slaterEffectiveCharge[2] = 0.;                
849     sCoefficient[0] = 0.;                         
850     sCoefficient[1] = 0.;                         
851     sCoefficient[2] = 0.;                         
852   }                                               
853                                                   
854   else if (particleDefinition == alphaPlusDef)    
855   {                                               
856     slaterEffectiveCharge[0] = 2.0;               
857     // The following values are provided by M.    
858     slaterEffectiveCharge[1] = 2.0;               
859     slaterEffectiveCharge[2] = 2.0;               
860     //                                            
861     sCoefficient[0] = 0.7;                        
862     sCoefficient[1] = 0.15;                       
863     sCoefficient[2] = 0.15;                       
864   }                                               
865                                                   
866   else if (particleDefinition == heliumDef)       
867   {                                               
868     slaterEffectiveCharge[0] = 1.7;               
869     slaterEffectiveCharge[1] = 1.15;              
870     slaterEffectiveCharge[2] = 1.15;              
871     sCoefficient[0] = 0.5;                        
872     sCoefficient[1] = 0.25;                       
873     sCoefficient[2] = 0.25;                       
874   }                                               
875                                                   
876   //    if (    particleDefinition == heliumDe    
877   //            || particleDefinition == alpha    
878   //            || particleDefinition == alpha    
879   //            )                                 
880   if (isHelium)                                   
881   {                                               
882     sigma = Gj[j] * (S / Bj[ionizationLevelInd    
883         * ((F1 + w * F2)                          
884             / (gpow->powN((1. + w), 3)            
885                 * (1. + G4Exp(alphaConst * (w     
886                                                   
887     if (j == 4)                                   
888       sigma = Gj[j]                               
889           * (S / waterStructure.IonisationEner    
890           * ((F1 + w * F2)                        
891               / (gpow->powN((1. + w), 3)          
892                   * (1. + G4Exp(alphaConst * (    
893                                                   
894     G4double zEff = particleDefinition->GetPDG    
895         + particleDefinition->GetLeptonNumber(    
896                                                   
897     zEff -= (sCoefficient[0]                      
898         * S_1s(k, energyTransfer, slaterEffect    
899         + sCoefficient[1]                         
900             * S_2s(k, energyTransfer, slaterEf    
901         + sCoefficient[2]                         
902             * S_2p(k, energyTransfer, slaterEf    
903                                                   
904     return zEff * zEff * sigma;                   
905   }                                               
906                                                   
907   return 0;                                       
908 }                                                 
909                                                   
910 //....oooOO0OOooo........oooOO0OOooo........oo    
911                                                   
912 G4double G4DNARuddIonisationModel::S_1s(G4doub    
913                                         G4doub    
914                                         G4doub    
915                                         G4doub    
916 {                                                 
917   // 1 - e^(-2r) * ( 1 + 2 r + 2 r^2)             
918   // Dingfelder, in Chattanooga 2005 proceedin    
919                                                   
920   G4double r = R(t, energyTransferred, slaterE    
921   G4double value = 1. - G4Exp(-2 * r) * ((2. *    
922                                                   
923   return value;                                   
924 }                                                 
925                                                   
926 //....oooOO0OOooo........oooOO0OOooo........oo    
927                                                   
928 G4double G4DNARuddIonisationModel::S_2s(G4doub    
929                                         G4doub    
930                                         G4doub    
931                                         G4doub    
932 {                                                 
933   // 1 - e^(-2 r) * ( 1 + 2 r + 2 r^2 + 2 r^4)    
934   // Dingfelder, in Chattanooga 2005 proceedin    
935                                                   
936   G4double r = R(t, energyTransferred, slaterE    
937   G4double value = 1.                             
938       - G4Exp(-2 * r) * (((2. * r * r + 2.) *     
939                                                   
940   return value;                                   
941                                                   
942 }                                                 
943                                                   
944 //....oooOO0OOooo........oooOO0OOooo........oo    
945                                                   
946 G4double G4DNARuddIonisationModel::S_2p(G4doub    
947                                         G4doub    
948                                         G4doub    
949                                         G4doub    
950 {                                                 
951   // 1 - e^(-2 r) * ( 1 + 2 r + 2 r^2 + 4/3 r^    
952   // Dingfelder, in Chattanooga 2005 proceedin    
953                                                   
954   G4double r = R(t, energyTransferred, slaterE    
955   G4double value = 1.                             
956       - G4Exp(-2 * r)                             
957           * ((((2. / 3. * r + 4. / 3.) * r + 2    
958                                                   
959   return value;                                   
960 }                                                 
961                                                   
962 //....oooOO0OOooo........oooOO0OOooo........oo    
963                                                   
964 G4double G4DNARuddIonisationModel::R(G4double     
965                                      G4double     
966                                      G4double     
967                                      G4double     
968 {                                                 
969   // tElectron = m_electron / m_alpha * t         
970   // Dingfelder, in Chattanooga 2005 proceedin    
971                                                   
972   G4double tElectron = 0.511 / 3728. * t;         
973   // The following values are provided by M. D    
974   G4double H = 2. * 13.60569172 * eV;             
975   G4double value = std::sqrt(2. * tElectron /     
976       * (slaterEffectiveChg / shellNumber);       
977                                                   
978   return value;                                   
979 }                                                 
980                                                   
981 //....oooOO0OOooo........oooOO0OOooo........oo    
982                                                   
983 G4double G4DNARuddIonisationModel::CorrectionF    
984                                                   
985 {                                                 
986                                                   
987   if (particleDefinition == G4Proton::Proton()    
988   {                                               
989     return (1.);                                  
990   }                                               
991   if (particleDefinition == hydrogenDef)          
992   {                                               
993     G4double value = (G4Log(k / eV)/gpow->logZ    
994     // The following values are provided by M.    
995     return ((0.6 / (1 + G4Exp(value))) + 0.9);    
996   }                                               
997   return (1.);                                    
998 }                                                 
999                                                   
1000 //....oooOO0OOooo........oooOO0OOooo........o    
1001                                                  
1002 G4int G4DNARuddIonisationModel::RandomSelect(    
1003                                                  
1004 {                                                
1005                                                  
1006   // BEGIN PART 1/2 OF ELECTRON CORRECTION       
1007                                                  
1008   // add ONE or TWO electron-water ionisation    
1009                                                  
1010   G4int level = 0;                               
1011                                                  
1012   // Retrieve data table corresponding to the    
1013                                                  
1014   std::map<G4String, G4DNACrossSectionDataSet    
1015   pos = tableData.find(particle);                
1016                                                  
1017   if (pos != tableData.end())                    
1018   {                                              
1019     G4DNACrossSectionDataSet* table = pos->se    
1020                                                  
1021     if (table != nullptr)                        
1022     {                                            
1023       auto  valuesBuffer = new G4double[table    
1024                                                  
1025       const auto  n = (G4int)table->NumberOfC    
1026       G4int i(n);                                
1027       G4double value = 0.;                       
1028                                                  
1029       while (i > 0)                              
1030       {                                          
1031         --i;                                     
1032         valuesBuffer[i] = table->GetComponent    
1033         value += valuesBuffer[i];                
1034       }                                          
1035                                                  
1036       value *= G4UniformRand();                  
1037                                                  
1038       i = n;                                     
1039                                                  
1040       while (i > 0)                              
1041       {                                          
1042         --i;                                     
1043                                                  
1044         if (valuesBuffer[i] > value)             
1045         {                                        
1046           delete[] valuesBuffer;                 
1047           return i;                              
1048         }                                        
1049         value -= valuesBuffer[i];                
1050       }                                          
1051                                                  
1052                                                  
1053         delete[] valuesBuffer;                   
1054                                                  
1055     }                                            
1056   } else                                         
1057   {                                              
1058     G4Exception("G4DNARuddIonisationModel::Ra    
1059                 "em0002",                        
1060                 FatalException,                  
1061                 "Model not applicable to part    
1062   }                                              
1063                                                  
1064   return level;                                  
1065 }                                                
1066                                                  
1067 //....oooOO0OOooo........oooOO0OOooo........o    
1068                                                  
1069 G4double G4DNARuddIonisationModel::PartialCro    
1070 {                                                
1071   G4double sigma = 0.;                           
1072                                                  
1073   const G4DynamicParticle* particle = track.G    
1074   G4double k = particle->GetKineticEnergy();     
1075                                                  
1076   G4double lowLim = 0;                           
1077   G4double highLim = 0;                          
1078                                                  
1079   const G4String& particleName = particle->Ge    
1080                                                  
1081   std::map<G4String, G4double, std::less<G4St    
1082   pos1 = lowEnergyLimit.find(particleName);      
1083                                                  
1084   if (pos1 != lowEnergyLimit.end())              
1085   {                                              
1086     lowLim = pos1->second;                       
1087   }                                              
1088                                                  
1089   std::map<G4String, G4double, std::less<G4St    
1090   pos2 = highEnergyLimit.find(particleName);     
1091                                                  
1092   if (pos2 != highEnergyLimit.end())             
1093   {                                              
1094     highLim = pos2->second;                      
1095   }                                              
1096                                                  
1097   if (k >= lowLim && k <= highLim)               
1098   {                                              
1099     std::map<G4String, G4DNACrossSectionDataS    
1100     pos = tableData.find(particleName);          
1101                                                  
1102     if (pos != tableData.end())                  
1103     {                                            
1104       G4DNACrossSectionDataSet* table = pos->    
1105       if (table != nullptr)                      
1106       {                                          
1107         sigma = table->FindValue(k);             
1108       }                                          
1109     } else                                       
1110     {                                            
1111       G4Exception("G4DNARuddIonisationModel::    
1112                   "em0002",                      
1113                   FatalException,                
1114                   "Model not applicable to pa    
1115     }                                            
1116   }                                              
1117                                                  
1118   return sigma;                                  
1119 }                                                
1120                                                  
1121 //....oooOO0OOooo........oooOO0OOooo........o    
1122                                                  
1123 G4double G4DNARuddIonisationModel::Sum(G4doub    
1124                                        const     
1125 {                                                
1126   return 0;                                      
1127 }                                                
1128                                                  
1129