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25 // 25 //
26 // Author: H. N. Tran (Ton Duc Thang Universit 26 // Author: H. N. Tran (Ton Duc Thang University)
27 // p, H, He, He+ and He++ models are assumed i 27 // p, H, He, He+ and He++ models are assumed identical
28 // NIMB 343, 132-137 (2015) 28 // NIMB 343, 132-137 (2015)
29 // 29 //
30 // The Geant4-DNA web site is available at htt 30 // The Geant4-DNA web site is available at http://geant4-dna.org
31 // 31 //
32 32
33 #include "G4DNAIonElasticModel.hh" 33 #include "G4DNAIonElasticModel.hh"
34 #include "G4PhysicalConstants.hh" 34 #include "G4PhysicalConstants.hh"
35 #include "G4SystemOfUnits.hh" 35 #include "G4SystemOfUnits.hh"
36 #include "G4DNAMolecularMaterial.hh" 36 #include "G4DNAMolecularMaterial.hh"
37 #include "G4ParticleTable.hh" 37 #include "G4ParticleTable.hh"
38 #include "G4Exp.hh" 38 #include "G4Exp.hh"
39 39
40 //....oooOO0OOooo........oooOO0OOooo........oo 40 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
41 41
42 using namespace std; 42 using namespace std;
43 43
44 //....oooOO0OOooo........oooOO0OOooo........oo 44 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
45 45
46 G4DNAIonElasticModel::G4DNAIonElasticModel (co 46 G4DNAIonElasticModel::G4DNAIonElasticModel (const G4ParticleDefinition*,
47 co 47 const G4String& nam) :
48 G4VEmModel(nam) << 48 G4VEmModel(nam), isInitialised(false)
49 { 49 {
50 killBelowEnergy = 100 * eV; 50 killBelowEnergy = 100 * eV;
51 lowEnergyLimit = 0 * eV; 51 lowEnergyLimit = 0 * eV;
52 highEnergyLimit = 1 * MeV; 52 highEnergyLimit = 1 * MeV;
53 SetLowEnergyLimit(lowEnergyLimit); 53 SetLowEnergyLimit(lowEnergyLimit);
54 SetHighEnergyLimit(highEnergyLimit); 54 SetHighEnergyLimit(highEnergyLimit);
55 55
56 verboseLevel = 0; 56 verboseLevel = 0;
57 // Verbosity scale: 57 // Verbosity scale:
58 // 0 = nothing 58 // 0 = nothing
59 // 1 = warning for energy non-conservation 59 // 1 = warning for energy non-conservation
60 // 2 = details of energy budget 60 // 2 = details of energy budget
61 // 3 = calculation of cross sections, file o 61 // 3 = calculation of cross sections, file openings, sampling of atoms
62 // 4 = entering in methods 62 // 4 = entering in methods
63 63
64 if(verboseLevel > 0) 64 if(verboseLevel > 0)
65 { 65 {
66 G4cout << "Ion elastic model is constructe 66 G4cout << "Ion elastic model is constructed " << G4endl<< "Energy range: "
67 << lowEnergyLimit / eV << " eV - " 67 << lowEnergyLimit / eV << " eV - "
68 << highEnergyLimit / MeV << " MeV" 68 << highEnergyLimit / MeV << " MeV"
69 << G4endl; 69 << G4endl;
70 } 70 }
71 71
72 fParticleChangeForGamma = nullptr; << 72 fParticleChangeForGamma = 0;
73 fpMolWaterDensity = nullptr; << 73 fpMolWaterDensity = 0;
74 fpTableData = nullptr; << 74 fpTableData = 0;
75 fParticle_Mass = -1; 75 fParticle_Mass = -1;
76 76
77 // Selection of stationary mode 77 // Selection of stationary mode
78 78
79 statCode = false; 79 statCode = false;
80 } 80 }
81 81
82 //....oooOO0OOooo........oooOO0OOooo........oo 82 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
83 83
84 G4DNAIonElasticModel::~G4DNAIonElasticModel () 84 G4DNAIonElasticModel::~G4DNAIonElasticModel ()
85 { 85 {
86 // For total cross section 86 // For total cross section
87 delete fpTableData; << 87 if(fpTableData) delete fpTableData;
88 } 88 }
89 89
90 //....oooOO0OOooo........oooOO0OOooo........oo 90 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
91 91
92 void 92 void
93 G4DNAIonElasticModel::Initialise ( 93 G4DNAIonElasticModel::Initialise (
94 const G4ParticleDefinition* particleDefini 94 const G4ParticleDefinition* particleDefinition,
95 const G4DataVector& /*cuts*/) 95 const G4DataVector& /*cuts*/)
96 { 96 {
97 97
98 if(verboseLevel > 3) 98 if(verboseLevel > 3)
99 { 99 {
100 G4cout << "Calling G4DNAIonElasticModel::I 100 G4cout << "Calling G4DNAIonElasticModel::Initialise()" << G4endl;
101 } 101 }
102 102
103 // Energy limits 103 // Energy limits
104 104
105 if (LowEnergyLimit() < lowEnergyLimit) 105 if (LowEnergyLimit() < lowEnergyLimit)
106 { 106 {
107 G4cout << "G4DNAIonElasticModel: low energ 107 G4cout << "G4DNAIonElasticModel: low energy limit increased from " <<
108 LowEnergyLimit()/eV << " eV to " << lowEne 108 LowEnergyLimit()/eV << " eV to " << lowEnergyLimit/eV << " eV" << G4endl;
109 SetLowEnergyLimit(lowEnergyLimit); 109 SetLowEnergyLimit(lowEnergyLimit);
110 } 110 }
111 111
112 if (HighEnergyLimit() > highEnergyLimit) 112 if (HighEnergyLimit() > highEnergyLimit)
113 { 113 {
114 G4cout << "G4DNAIonElasticModel: high ener 114 G4cout << "G4DNAIonElasticModel: high energy limit decreased from " <<
115 HighEnergyLimit()/MeV << " MeV to " << hig 115 HighEnergyLimit()/MeV << " MeV to " << highEnergyLimit/MeV << " MeV" << G4endl;
116 SetHighEnergyLimit(highEnergyLimit); 116 SetHighEnergyLimit(highEnergyLimit);
117 } 117 }
118 118
119 // Reading of data files 119 // Reading of data files
120 120
121 G4double scaleFactor = 1e-16*cm*cm; 121 G4double scaleFactor = 1e-16*cm*cm;
122 122
123 const char *path = G4FindDataDir("G4LEDATA") << 123 char *path = getenv("G4LEDATA");
124 124
125 if (path == nullptr) << 125 if (!path)
126 { 126 {
127 G4Exception("G4IonElasticModel::Initialise 127 G4Exception("G4IonElasticModel::Initialise","em0006",
128 FatalException,"G4LEDATA environment v 128 FatalException,"G4LEDATA environment variable not set.");
129 return; 129 return;
130 } 130 }
131 131
132 G4String totalXSFile; 132 G4String totalXSFile;
133 std::ostringstream fullFileName; 133 std::ostringstream fullFileName;
134 134
135 G4DNAGenericIonsManager *instance; 135 G4DNAGenericIonsManager *instance;
136 instance = G4DNAGenericIonsManager::Instance 136 instance = G4DNAGenericIonsManager::Instance();
137 G4ParticleDefinition* protonDef = 137 G4ParticleDefinition* protonDef =
138 G4ParticleTable::GetParticleTable()->FindPar 138 G4ParticleTable::GetParticleTable()->FindParticle("proton");
139 G4ParticleDefinition* hydrogenDef = instance 139 G4ParticleDefinition* hydrogenDef = instance->GetIon("hydrogen");
140 G4ParticleDefinition* heliumDef = instance-> 140 G4ParticleDefinition* heliumDef = instance->GetIon("helium");
141 G4ParticleDefinition* alphaplusDef = instanc 141 G4ParticleDefinition* alphaplusDef = instance->GetIon("alpha+");
142 G4ParticleDefinition* alphaplusplusDef = ins 142 G4ParticleDefinition* alphaplusplusDef = instance->GetIon("alpha++");
143 G4String proton, hydrogen, helium, alphaplus 143 G4String proton, hydrogen, helium, alphaplus, alphaplusplus;
144 144
145 if ( 145 if (
146 (particleDefinition == protonDef && prot << 146 (particleDefinition == protonDef && protonDef != 0)
147 || 147 ||
148 (particleDefinition == hydrogenDef && hy << 148 (particleDefinition == hydrogenDef && hydrogenDef != 0)
149 ) 149 )
150 { 150 {
151 // For total cross section of p,h 151 // For total cross section of p,h
152 fParticle_Mass = 1.; 152 fParticle_Mass = 1.;
153 totalXSFile = "dna/sigma_elastic_proton_HT 153 totalXSFile = "dna/sigma_elastic_proton_HTran";
154 154
155 // For final state 155 // For final state
156 fullFileName << path << "/dna/sigmadiff_cu 156 fullFileName << path << "/dna/sigmadiff_cumulated_elastic_proton_HTran.dat";
157 } 157 }
158 158
159 if ( 159 if (
160 (particleDefinition == instance->GetIon( << 160 (particleDefinition == instance->GetIon("helium") && heliumDef)
161 || 161 ||
162 (particleDefinition == instance->GetIon( << 162 (particleDefinition == instance->GetIon("alpha+") && alphaplusDef)
163 || 163 ||
164 (particleDefinition == instance->GetIon( << 164 (particleDefinition == instance->GetIon("alpha++") && alphaplusplusDef)
165 ) 165 )
166 { 166 {
167 // For total cross section of he,he+,he++ 167 // For total cross section of he,he+,he++
168 fParticle_Mass = 4.; 168 fParticle_Mass = 4.;
169 totalXSFile = "dna/sigma_elastic_alpha_HTr 169 totalXSFile = "dna/sigma_elastic_alpha_HTran";
170 170
171 // For final state 171 // For final state
172 fullFileName << path << "/dna/sigmadiff_cu 172 fullFileName << path << "/dna/sigmadiff_cumulated_elastic_alpha_HTran.dat";
173 } 173 }
174 174
175 fpTableData = new G4DNACrossSectionDataSet(n 175 fpTableData = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, eV,scaleFactor );
176 fpTableData->LoadData(totalXSFile); 176 fpTableData->LoadData(totalXSFile);
177 std::ifstream diffCrossSection(fullFileName. 177 std::ifstream diffCrossSection(fullFileName.str().c_str());
178 178
179 if (!diffCrossSection) 179 if (!diffCrossSection)
180 { 180 {
181 G4ExceptionDescription description; 181 G4ExceptionDescription description;
182 description << "Missing data file:" 182 description << "Missing data file:"
183 <<fullFileName.str().c_str()<< G4endl; 183 <<fullFileName.str().c_str()<< G4endl;
184 G4Exception("G4IonElasticModel::Initialise 184 G4Exception("G4IonElasticModel::Initialise","em0003",
185 FatalException, 185 FatalException,
186 description); 186 description);
187 } 187 }
188 188
189 // Added clear for MT 189 // Added clear for MT
190 190
191 eTdummyVec.clear(); 191 eTdummyVec.clear();
192 eVecm.clear(); 192 eVecm.clear();
193 fDiffCrossSectionData.clear(); 193 fDiffCrossSectionData.clear();
194 194
195 // 195 //
196 196
197 eTdummyVec.push_back(0.); 197 eTdummyVec.push_back(0.);
198 198
199 while(!diffCrossSection.eof()) 199 while(!diffCrossSection.eof())
200 { 200 {
201 G4double tDummy; 201 G4double tDummy;
202 G4double eDummy; 202 G4double eDummy;
203 diffCrossSection>>tDummy>>eDummy; 203 diffCrossSection>>tDummy>>eDummy;
204 204
205 // SI : mandatory eVecm initialization 205 // SI : mandatory eVecm initialization
206 206
207 if (tDummy != eTdummyVec.back()) 207 if (tDummy != eTdummyVec.back())
208 { 208 {
209 eTdummyVec.push_back(tDummy); 209 eTdummyVec.push_back(tDummy);
210 eVecm[tDummy].push_back(0.); 210 eVecm[tDummy].push_back(0.);
211 } 211 }
212 212
213 diffCrossSection>>fDiffCrossSectionData[tD 213 diffCrossSection>>fDiffCrossSectionData[tDummy][eDummy];
214 214
215 if (eDummy != eVecm[tDummy].back()) eVecm[ 215 if (eDummy != eVecm[tDummy].back()) eVecm[tDummy].push_back(eDummy);
216 216
217 } 217 }
218 218
219 // End final state 219 // End final state
220 if( verboseLevel>0 ) 220 if( verboseLevel>0 )
221 { 221 {
222 if (verboseLevel > 2) 222 if (verboseLevel > 2)
223 { 223 {
224 G4cout << "Loaded cross section files fo 224 G4cout << "Loaded cross section files for ion elastic model" << G4endl;
225 } 225 }
226 G4cout << "Ion elastic model is initialize 226 G4cout << "Ion elastic model is initialized " << G4endl
227 << "Energy range: " 227 << "Energy range: "
228 << LowEnergyLimit() / eV << " eV - " 228 << LowEnergyLimit() / eV << " eV - "
229 << HighEnergyLimit() / MeV << " MeV" 229 << HighEnergyLimit() / MeV << " MeV"
230 << G4endl; 230 << G4endl;
231 } 231 }
232 232
233 // Initialize water density pointer 233 // Initialize water density pointer
234 G4DNAMolecularMaterial::Instance()->Initiali 234 G4DNAMolecularMaterial::Instance()->Initialize();
235 fpMolWaterDensity = G4DNAMolecularMaterial:: 235 fpMolWaterDensity = G4DNAMolecularMaterial::Instance()->
236 GetNumMolPerVolTableFor(G4Material::GetMater 236 GetNumMolPerVolTableFor(G4Material::GetMaterial("G4_WATER"));
237 237
238 if (isInitialised) return; 238 if (isInitialised) return;
239 fParticleChangeForGamma = GetParticleChangeF 239 fParticleChangeForGamma = GetParticleChangeForGamma();
240 isInitialised = true; 240 isInitialised = true;
241 } 241 }
242 242
243 //....oooOO0OOooo........oooOO0OOooo........oo 243 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
244 244
245 G4double 245 G4double
246 G4DNAIonElasticModel::CrossSectionPerVolume (c 246 G4DNAIonElasticModel::CrossSectionPerVolume (const G4Material* material,
247 c 247 const G4ParticleDefinition* p,
248 G 248 G4double ekin, G4double, G4double)
249 { 249 {
250 if(verboseLevel > 3) 250 if(verboseLevel > 3)
251 { 251 {
252 G4cout << "Calling CrossSectionPerVolume() 252 G4cout << "Calling CrossSectionPerVolume() of G4DNAIonElasticModel"
253 << G4endl; 253 << G4endl;
254 } 254 }
255 255
256 // Calculate total cross section for model 256 // Calculate total cross section for model
257 257
258 G4double sigma=0; 258 G4double sigma=0;
259 259
260 G4double waterDensity = (*fpMolWaterDensity) 260 G4double waterDensity = (*fpMolWaterDensity)[material->GetIndex()];
261 261
262 const G4String& particleName = p->GetParticl 262 const G4String& particleName = p->GetParticleName();
263 263
264 if (ekin <= highEnergyLimit) 264 if (ekin <= highEnergyLimit)
265 { 265 {
266 //SI : XS must not be zero otherwise sampl 266 //SI : XS must not be zero otherwise sampling of secondaries method ignored
267 if (ekin < killBelowEnergy) return DBL_MAX 267 if (ekin < killBelowEnergy) return DBL_MAX;
268 // 268 //
269 269
270 if (fpTableData != nullptr) << 270 if (fpTableData != 0)
271 { 271 {
272 sigma = fpTableData->FindValue(ekin); 272 sigma = fpTableData->FindValue(ekin);
273 } 273 }
274 else 274 else
275 { 275 {
276 G4Exception("G4DNAIonElasticModel::Compu 276 G4Exception("G4DNAIonElasticModel::ComputeCrossSectionPerVolume","em0002",
277 FatalException,"Model not applicable 277 FatalException,"Model not applicable to particle type.");
278 } 278 }
279 } 279 }
280 280
281 if (verboseLevel > 2) 281 if (verboseLevel > 2)
282 { 282 {
283 G4cout << "_______________________________ 283 G4cout << "__________________________________" << G4endl;
284 G4cout << "G4DNAIonElasticModel - XS INFO 284 G4cout << "G4DNAIonElasticModel - XS INFO START" << G4endl;
285 G4cout << "Kinetic energy(eV)=" << ekin/eV 285 G4cout << "Kinetic energy(eV)=" << ekin/eV << " particle : " << particleName << G4endl;
286 G4cout << "Cross section per water molecul 286 G4cout << "Cross section per water molecule (cm^2)=" << sigma/cm/cm << G4endl;
287 G4cout << "Cross section per water molecul 287 G4cout << "Cross section per water molecule (cm^-1)=" << sigma*waterDensity/(1./cm) << G4endl;
288 G4cout << "G4DNAIonElasticModel - XS INFO 288 G4cout << "G4DNAIonElasticModel - XS INFO END" << G4endl;
289 } 289 }
290 290
291 return sigma*waterDensity; 291 return sigma*waterDensity;
292 } 292 }
293 293
294 //....oooOO0OOooo........oooOO0OOooo........oo 294 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
295 295
296 void 296 void
297 G4DNAIonElasticModel::SampleSecondaries ( 297 G4DNAIonElasticModel::SampleSecondaries (
298 std::vector<G4DynamicParticle*>* /*fvect*/ 298 std::vector<G4DynamicParticle*>* /*fvect*/,
299 const G4MaterialCutsCouple* /*couple*/, 299 const G4MaterialCutsCouple* /*couple*/,
300 const G4DynamicParticle* aDynamicParticle, 300 const G4DynamicParticle* aDynamicParticle, G4double, G4double)
301 { 301 {
302 302
303 if(verboseLevel > 3) 303 if(verboseLevel > 3)
304 { 304 {
305 G4cout << "Calling SampleSecondaries() of 305 G4cout << "Calling SampleSecondaries() of G4DNAIonElasticModel" << G4endl;
306 } 306 }
307 307
308 G4double particleEnergy0 = aDynamicParticle- 308 G4double particleEnergy0 = aDynamicParticle->GetKineticEnergy();
309 309
310 if (particleEnergy0 < killBelowEnergy) 310 if (particleEnergy0 < killBelowEnergy)
311 { 311 {
312 fParticleChangeForGamma->SetProposedKineti 312 fParticleChangeForGamma->SetProposedKineticEnergy(0.);
313 fParticleChangeForGamma->ProposeTrackStatu 313 fParticleChangeForGamma->ProposeTrackStatus(fStopAndKill);
314 fParticleChangeForGamma->ProposeLocalEnerg 314 fParticleChangeForGamma->ProposeLocalEnergyDeposit(particleEnergy0);
315 return; 315 return;
316 } 316 }
317 317
318 if (particleEnergy0>= killBelowEnergy && par 318 if (particleEnergy0>= killBelowEnergy && particleEnergy0 <= highEnergyLimit)
319 { 319 {
320 G4double water_mass = 18.; 320 G4double water_mass = 18.;
321 321
322 G4double thetaCM = RandomizeThetaCM(partic 322 G4double thetaCM = RandomizeThetaCM(particleEnergy0, aDynamicParticle->GetDefinition());
323 323
324 //HT:convert to laboratory system 324 //HT:convert to laboratory system
325 325
326 G4double theta = std::atan(std::sin(thetaC 326 G4double theta = std::atan(std::sin(thetaCM*CLHEP::pi/180)
327 /(fParticle_Mass/water_mass+std::cos(t 327 /(fParticle_Mass/water_mass+std::cos(thetaCM*CLHEP::pi/180)));
328 328
329 G4double cosTheta= std::cos(theta); 329 G4double cosTheta= std::cos(theta);
330 330
331 // 331 //
332 332
333 G4double phi = 2. * CLHEP::pi * G4UniformR 333 G4double phi = 2. * CLHEP::pi * G4UniformRand();
334 334
335 G4ThreeVector zVers = aDynamicParticle->Ge 335 G4ThreeVector zVers = aDynamicParticle->GetMomentumDirection();
336 G4ThreeVector xVers = zVers.orthogonal(); 336 G4ThreeVector xVers = zVers.orthogonal();
337 G4ThreeVector yVers = zVers.cross(xVers); 337 G4ThreeVector yVers = zVers.cross(xVers);
338 338
339 G4double xDir = std::sqrt(1. - cosTheta*co 339 G4double xDir = std::sqrt(1. - cosTheta*cosTheta);
340 G4double yDir = xDir; 340 G4double yDir = xDir;
341 xDir *= std::cos(phi); 341 xDir *= std::cos(phi);
342 yDir *= std::sin(phi); 342 yDir *= std::sin(phi);
343 343
344 G4ThreeVector zPrimeVers((xDir*xVers + yDi 344 G4ThreeVector zPrimeVers((xDir*xVers + yDir*yVers + cosTheta*zVers));
345 345
346 fParticleChangeForGamma->ProposeMomentumDi 346 fParticleChangeForGamma->ProposeMomentumDirection(zPrimeVers.unit());
347 347
348 G4double depositEnergyCM = 0; 348 G4double depositEnergyCM = 0;
349 349
350 //HT: deposited energy 350 //HT: deposited energy
351 depositEnergyCM = 4. * particleEnergy0 * f 351 depositEnergyCM = 4. * particleEnergy0 * fParticle_Mass * water_mass *
352 (1-std::cos(thetaCM*CLHEP::pi/180)) 352 (1-std::cos(thetaCM*CLHEP::pi/180))
353 / (2 * std::pow((fParticle_Mass+water_mass 353 / (2 * std::pow((fParticle_Mass+water_mass),2));
354 354
355 //SI: added protection particleEnergy0 >= 355 //SI: added protection particleEnergy0 >= depositEnergyCM
356 if (!statCode && (particleEnergy0 >= depos 356 if (!statCode && (particleEnergy0 >= depositEnergyCM) )
357 357
358 fParticleChangeForGamma->SetProposedKine 358 fParticleChangeForGamma->SetProposedKineticEnergy(particleEnergy0 - depositEnergyCM);
359 359
360 else fParticleChangeForGamma->SetProposedK 360 else fParticleChangeForGamma->SetProposedKineticEnergy(particleEnergy0);
361 361
362 fParticleChangeForGamma->ProposeLocalEnerg 362 fParticleChangeForGamma->ProposeLocalEnergyDeposit(depositEnergyCM);
363 } 363 }
364 } 364 }
365 365
366 //....oooOO0OOooo........oooOO0OOooo........oo 366 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
367 367
368 G4double 368 G4double
369 G4DNAIonElasticModel::Theta (G4ParticleDefinit 369 G4DNAIonElasticModel::Theta (G4ParticleDefinition * /*particleDefinition*/,
370 G4double k, G4dou 370 G4double k, G4double integrDiff)
371 { 371 {
372 G4double theta = 0.; 372 G4double theta = 0.;
373 G4double valueT1 = 0; 373 G4double valueT1 = 0;
374 G4double valueT2 = 0; 374 G4double valueT2 = 0;
375 G4double valueE21 = 0; 375 G4double valueE21 = 0;
376 G4double valueE22 = 0; 376 G4double valueE22 = 0;
377 G4double valueE12 = 0; 377 G4double valueE12 = 0;
378 G4double valueE11 = 0; 378 G4double valueE11 = 0;
379 G4double xs11 = 0; 379 G4double xs11 = 0;
380 G4double xs12 = 0; 380 G4double xs12 = 0;
381 G4double xs21 = 0; 381 G4double xs21 = 0;
382 G4double xs22 = 0; 382 G4double xs22 = 0;
383 383
384 // Protection against out of boundary access 384 // Protection against out of boundary access
385 if (k==eTdummyVec.back()) k=k*(1.-1e-12); 385 if (k==eTdummyVec.back()) k=k*(1.-1e-12);
386 // 386 //
387 387
388 auto t2 = std::upper_bound(eTdummyVec.begin( << 388 std::vector<G4double>::iterator t2 = std::upper_bound(eTdummyVec.begin(),
389 389 eTdummyVec.end(), k);
390 auto t1 = t2 - 1; << 390 std::vector<G4double>::iterator t1 = t2 - 1;
391 391
392 auto e12 = std::upper_bound(eVecm[(*t1)].beg << 392 std::vector<G4double>::iterator e12 = std::upper_bound(eVecm[(*t1)].begin(),
393 393 eVecm[(*t1)].end(),
394 394 integrDiff);
395 auto e11 = e12 - 1; << 395 std::vector<G4double>::iterator e11 = e12 - 1;
396 396
397 auto e22 = std::upper_bound(eVecm[(*t2)].beg << 397 std::vector<G4double>::iterator e22 = std::upper_bound(eVecm[(*t2)].begin(),
398 398 eVecm[(*t2)].end(),
399 399 integrDiff);
400 auto e21 = e22 - 1; << 400 std::vector<G4double>::iterator e21 = e22 - 1;
401 401
402 valueT1 = *t1; 402 valueT1 = *t1;
403 valueT2 = *t2; 403 valueT2 = *t2;
404 valueE21 = *e21; 404 valueE21 = *e21;
405 valueE22 = *e22; 405 valueE22 = *e22;
406 valueE12 = *e12; 406 valueE12 = *e12;
407 valueE11 = *e11; 407 valueE11 = *e11;
408 408
409 xs11 = fDiffCrossSectionData[valueT1][valueE 409 xs11 = fDiffCrossSectionData[valueT1][valueE11];
410 xs12 = fDiffCrossSectionData[valueT1][valueE 410 xs12 = fDiffCrossSectionData[valueT1][valueE12];
411 xs21 = fDiffCrossSectionData[valueT2][valueE 411 xs21 = fDiffCrossSectionData[valueT2][valueE21];
412 xs22 = fDiffCrossSectionData[valueT2][valueE 412 xs22 = fDiffCrossSectionData[valueT2][valueE22];
413 413
414 if(xs11 == 0 && xs12 == 0 && xs21 == 0 && xs 414 if(xs11 == 0 && xs12 == 0 && xs21 == 0 && xs22 == 0) return (0.);
415 415
416 theta = QuadInterpolator(valueE11, valueE12, 416 theta = QuadInterpolator(valueE11, valueE12, valueE21, valueE22, xs11, xs12,
417 xs21, xs22, valueT1 417 xs21, xs22, valueT1, valueT2, k, integrDiff);
418 418
419 return theta; 419 return theta;
420 } 420 }
421 421
422 //....oooOO0OOooo........oooOO0OOooo........oo 422 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
423 423
424 G4double 424 G4double
425 G4DNAIonElasticModel::LinLinInterpolate (G4dou 425 G4DNAIonElasticModel::LinLinInterpolate (G4double e1, G4double e2, G4double e,
426 G4dou 426 G4double xs1, G4double xs2)
427 { 427 {
428 G4double d1 = xs1; 428 G4double d1 = xs1;
429 G4double d2 = xs2; 429 G4double d2 = xs2;
430 G4double value = (d1 + (d2 - d1) * (e - e1) 430 G4double value = (d1 + (d2 - d1) * (e - e1) / (e2 - e1));
431 return value; 431 return value;
432 } 432 }
433 433
434 //....oooOO0OOooo........oooOO0OOooo........oo 434 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
435 435
436 G4double 436 G4double
437 G4DNAIonElasticModel::LinLogInterpolate (G4dou 437 G4DNAIonElasticModel::LinLogInterpolate (G4double e1, G4double e2, G4double e,
438 G4dou 438 G4double xs1, G4double xs2)
439 { 439 {
440 G4double d1 = std::log(xs1); 440 G4double d1 = std::log(xs1);
441 G4double d2 = std::log(xs2); 441 G4double d2 = std::log(xs2);
442 G4double value = G4Exp(d1 + (d2 - d1) * (e - 442 G4double value = G4Exp(d1 + (d2 - d1) * (e - e1) / (e2 - e1));
443 return value; 443 return value;
444 } 444 }
445 445
446 //....oooOO0OOooo........oooOO0OOooo........oo 446 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
447 447
448 G4double 448 G4double
449 G4DNAIonElasticModel::LogLogInterpolate (G4dou 449 G4DNAIonElasticModel::LogLogInterpolate (G4double e1, G4double e2, G4double e,
450 G4dou 450 G4double xs1, G4double xs2)
451 { 451 {
452 G4double a = (std::log10(xs2) - std::log10(x 452 G4double a = (std::log10(xs2) - std::log10(xs1))
453 / (std::log10(e2) - std::log10(e1)); 453 / (std::log10(e2) - std::log10(e1));
454 G4double b = std::log10(xs2) - a * std::log1 454 G4double b = std::log10(xs2) - a * std::log10(e2);
455 G4double sigma = a * std::log10(e) + b; 455 G4double sigma = a * std::log10(e) + b;
456 G4double value = (std::pow(10., sigma)); 456 G4double value = (std::pow(10., sigma));
457 return value; 457 return value;
458 } 458 }
459 459
460 //....oooOO0OOooo........oooOO0OOooo........oo 460 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
461 461
462 G4double 462 G4double
463 G4DNAIonElasticModel::QuadInterpolator (G4doub 463 G4DNAIonElasticModel::QuadInterpolator (G4double e11, G4double e12,
464 G4doub 464 G4double e21, G4double e22,
465 G4doub 465 G4double xs11, G4double xs12,
466 G4doub 466 G4double xs21, G4double xs22,
467 G4doub 467 G4double t1, G4double t2, G4double t,
468 G4doub 468 G4double e)
469 { 469 {
470 // Log-Log 470 // Log-Log
471 /* 471 /*
472 G4double interpolatedvalue1 = LogLogInterpo 472 G4double interpolatedvalue1 = LogLogInterpolate(e11, e12, e, xs11, xs12);
473 G4double interpolatedvalue2 = LogLogInterpo 473 G4double interpolatedvalue2 = LogLogInterpolate(e21, e22, e, xs21, xs22);
474 G4double value = LogLogInterpolate(t1, t2, 474 G4double value = LogLogInterpolate(t1, t2, t, interpolatedvalue1, interpolatedvalue2);
475 */ 475 */
476 476
477 // Lin-Log 477 // Lin-Log
478 /* 478 /*
479 G4double interpolatedvalue1 = LinLogInterpo 479 G4double interpolatedvalue1 = LinLogInterpolate(e11, e12, e, xs11, xs12);
480 G4double interpolatedvalue2 = LinLogInterpo 480 G4double interpolatedvalue2 = LinLogInterpolate(e21, e22, e, xs21, xs22);
481 G4double value = LinLogInterpolate(t1, t2, 481 G4double value = LinLogInterpolate(t1, t2, t, interpolatedvalue1, interpolatedvalue2);
482 */ 482 */
483 483
484 // Lin-Lin 484 // Lin-Lin
485 G4double interpolatedvalue1 = LinLinInterpol 485 G4double interpolatedvalue1 = LinLinInterpolate(e11, e12, e, xs11, xs12);
486 G4double interpolatedvalue2 = LinLinInterpol 486 G4double interpolatedvalue2 = LinLinInterpolate(e21, e22, e, xs21, xs22);
487 G4double value = LinLinInterpolate(t1, t2, t 487 G4double value = LinLinInterpolate(t1, t2, t, interpolatedvalue1,
488 interpola 488 interpolatedvalue2);
489 489
490 return value; 490 return value;
491 } 491 }
492 492
493 //....oooOO0OOooo........oooOO0OOooo........oo 493 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
494 494
495 G4double 495 G4double
496 G4DNAIonElasticModel::RandomizeThetaCM ( 496 G4DNAIonElasticModel::RandomizeThetaCM (
497 G4double k, G4ParticleDefinition * particl 497 G4double k, G4ParticleDefinition * particleDefinition)
498 { 498 {
499 G4double integrdiff = G4UniformRand(); 499 G4double integrdiff = G4UniformRand();
500 return Theta(particleDefinition, k / eV, int 500 return Theta(particleDefinition, k / eV, integrdiff);
501 } 501 }
502 502
503 //....oooOO0OOooo........oooOO0OOooo........oo 503 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
504 504
505 void 505 void
506 G4DNAIonElasticModel::SetKillBelowThreshold (G 506 G4DNAIonElasticModel::SetKillBelowThreshold (G4double threshold)
507 { 507 {
508 killBelowEnergy = threshold; 508 killBelowEnergy = threshold;
509 509
510 if(killBelowEnergy < 100 * eV) 510 if(killBelowEnergy < 100 * eV)
511 { 511 {
512 G4cout << "*** WARNING : the G4DNAIonElast 512 G4cout << "*** WARNING : the G4DNAIonElasticModel class is not "
513 "activated below 100 eV !" 513 "activated below 100 eV !"
514 << G4endl; 514 << G4endl;
515 } 515 }
516 } 516 }
517 517
518 518