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25 // 25 //
>> 26 // $Id$
26 // 27 //
27 28
28 // Created by Z. Francis 29 // Created by Z. Francis
29 30
30 #include "G4DNASancheExcitationModel.hh" 31 #include "G4DNASancheExcitationModel.hh"
31 #include "G4SystemOfUnits.hh" 32 #include "G4SystemOfUnits.hh"
32 #include "G4DNAMolecularMaterial.hh" 33 #include "G4DNAMolecularMaterial.hh"
33 34
34 //....oooOO0OOooo........oooOO0OOooo........oo << 35 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
35 36
36 using namespace std; 37 using namespace std;
37 38
38 //#define SANCHE_VERBOSE << 39 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
39 <<
40 //....oooOO0OOooo........oooOO0OOooo........oo <<
41 40
42 G4DNASancheExcitationModel::G4DNASancheExcitat 41 G4DNASancheExcitationModel::G4DNASancheExcitationModel(const G4ParticleDefinition*,
43 << 42 const G4String& nam)
44 G4VEmModel(nam) << 43 :G4VEmModel(nam),isInitialised(false)
45 { 44 {
46 fpWaterDensity = nullptr; << 45 // nistwater = G4NistManager::Instance()->FindOrBuildMaterial("G4_WATER");
>> 46 fpWaterDensity = 0;
47 47
48 SetLowEnergyLimit(2.*eV); << 48 lowEnergyLimit = 2 * eV;
49 SetHighEnergyLimit(100*eV); << 49 highEnergyLimit = 100 * eV;
50 nLevels = 9; << 50 SetLowEnergyLimit(lowEnergyLimit);
51 << 51 SetHighEnergyLimit(highEnergyLimit);
52 verboseLevel = 0; << 52 nLevels = 9;
53 // Verbosity scale: << 53
54 // 0 = nothing << 54 verboseLevel= 0;
55 // 1 = warning for energy non-conservation << 55 // Verbosity scale:
56 // 2 = details of energy budget << 56 // 0 = nothing
57 // 3 = calculation of cross sections, file o << 57 // 1 = warning for energy non-conservation
58 // 4 = entering in methods << 58 // 2 = details of energy budget
>> 59 // 3 = calculation of cross sections, file openings, sampling of atoms
>> 60 // 4 = entering in methods
59 61
60 #ifdef SANCHE_VERBOSE << 62 if (verboseLevel > 0)
61 if (verboseLevel > 0) << 63 {
62 { << 64 G4cout << "Sanche Excitation model is constructed " << G4endl
63 G4cout << "Sanche Excitation model is cons << 65 << "Energy range: "
64 << G4endl << 66 << lowEnergyLimit / eV << " eV - "
65 << "Energy range: " << 67 << highEnergyLimit / eV << " eV"
66 << LowEnergyLimit() / eV << " eV - << 68 << G4endl;
67 << HighEnergyLimit() / eV << " eV" << 69 }
68 << G4endl; << 70 fParticleChangeForGamma = 0;
69 } << 71 fpWaterDensity = 0;
70 #endif <<
71 <<
72 fParticleChangeForGamma = nullptr; <<
73 fpWaterDensity = nullptr; <<
74 <<
75 // Selection of stationary mode <<
76 <<
77 statCode = false; <<
78 } 72 }
79 73
80 //....oooOO0OOooo........oooOO0OOooo........oo << 74 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
81 75
82 G4DNASancheExcitationModel::~G4DNASancheExcita 76 G4DNASancheExcitationModel::~G4DNASancheExcitationModel()
83 = default; << 77 {}
84 78
85 //....oooOO0OOooo........oooOO0OOooo........oo << 79 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
86 80
87 void << 81 void G4DNASancheExcitationModel::Initialise(const G4ParticleDefinition* /*particle*/,
88 G4DNASancheExcitationModel:: << 82 const G4DataVector& /*cuts*/)
89 Initialise(const G4ParticleDefinition* /*parti <<
90 const G4DataVector& /*cuts*/) <<
91 { 83 {
92 <<
93 #ifdef SANCHE_VERBOSE <<
94 if (verboseLevel > 3) <<
95 { <<
96 G4cout << "Calling G4DNASancheExcitationMo <<
97 << G4endl; <<
98 } <<
99 #endif <<
100 <<
101 // Energy limits <<
102 84
103 if (LowEnergyLimit() < 2.*eV) <<
104 { <<
105 G4Exception("*** WARNING : the G4DNASanche <<
106 "validated below 2 eV !", <<
107 "", JustWarning, ""); <<
108 } <<
109 85
110 if (HighEnergyLimit() > 100.*eV) << 86 if (verboseLevel > 3)
111 { << 87 G4cout << "Calling G4DNASancheExcitationModel::Initialise()" << G4endl;
112 G4cout << "G4DNASancheExcitationModel: hig <<
113 HighEnergyLimit()/eV << " eV to " << 100. <<
114 SetHighEnergyLimit(100.*eV); <<
115 } <<
116 88
117 // << 89 // Energy limits
118 #ifdef SANCHE_VERBOSE <<
119 if (verboseLevel > 0) <<
120 { <<
121 G4cout << "Sanche Excitation model is init <<
122 << "Energy range: " <<
123 << LowEnergyLimit() / eV << " eV - " <<
124 << HighEnergyLimit() / eV << " eV" <<
125 << G4endl; <<
126 } <<
127 #endif <<
128 <<
129 // Initialize water density pointer <<
130 fpWaterDensity = G4DNAMolecularMaterial::Ins <<
131 GetNumMolPerVolTableFor(G4Material::GetM <<
132 <<
133 if (isInitialised) {return;} <<
134 <<
135 fParticleChangeForGamma = GetParticleChangeF <<
136 isInitialised = true; <<
137 <<
138 const char *path = G4FindDataDir("G4LEDATA") <<
139 std::ostringstream eFullFileName; <<
140 eFullFileName << path << "/dna/sigma_excitat <<
141 std::ifstream input(eFullFileName.str().c_st <<
142 90
143 if (!input) << 91 if (LowEnergyLimit() < lowEnergyLimit)
144 { << 92 {
145 G4Exception("G4DNASancheExcitationModel::I << 93 G4cout << "G4DNASancheExcitationModel: low energy limit increased from " <<
146 FatalException,"Missing data file:/dna << 94 LowEnergyLimit()/eV << " eV to " << lowEnergyLimit/eV << " eV" << G4endl;
147 } << 95 SetLowEnergyLimit(lowEnergyLimit);
>> 96 }
148 97
149 // March 25th, 2014 - Vaclav Stepan, Sebasti << 98 if (HighEnergyLimit() > highEnergyLimit)
150 // Added clear for MT << 99 {
151 tdummyVec.clear(); << 100 G4cout << "G4DNASancheExcitationModel: high energy limit decreased from " <<
152 // << 101 HighEnergyLimit()/eV << " eV to " << highEnergyLimit/eV << " eV" << G4endl;
>> 102 SetHighEnergyLimit(highEnergyLimit);
>> 103 }
153 104
154 G4double t; << 105 //
155 G4double xs; <<
156 106
157 while(!input.eof()) << 107 if (verboseLevel > 0)
158 { << 108 {
159 input>>t; << 109 G4cout << "Sanche Excitation model is initialized " << G4endl
160 tdummyVec.push_back(t); << 110 << "Energy range: "
>> 111 << LowEnergyLimit() / eV << " eV - "
>> 112 << HighEnergyLimit() / eV << " eV"
>> 113 << G4endl;
>> 114 }
161 115
162 fEnergyLevelXS.emplace_back(); << 116 // Initialize water density pointer
163 fEnergyTotalXS.push_back(0); << 117 fpWaterDensity = G4DNAMolecularMaterial::Instance()->GetNumMolPerVolTableFor(G4Material::GetMaterial("G4_WATER"));
164 std::vector<G4double>& levelXS = fEnergyLe <<
165 levelXS.reserve(9); <<
166 118
167 // G4cout<<t; << 119 if (isInitialised) { return; }
>> 120 fParticleChangeForGamma = GetParticleChangeForGamma();
>> 121 isInitialised = true;
>> 122
>> 123 char *path = getenv("G4LEDATA");
>> 124 std::ostringstream eFullFileName;
>> 125 eFullFileName << path << "/dna/sigma_excitationvib_e_sanche.dat";
>> 126 std::ifstream input(eFullFileName.str().c_str());
168 127
169 for(size_t i = 0 ; i < 9 ;++i) << 128 if (!input)
170 { 129 {
171 input>>xs; << 130 G4Exception("G4DNASancheExcitationModel::Initialise","em0003",
172 levelXS.push_back(xs); << 131 FatalException,"Missing data file:/dna/sigma_excitationvib_e_sanche.dat");
173 fEnergyTotalXS.back() += xs; <<
174 // G4cout <<" " << levelXS[i]; <<
175 } 132 }
176 133
177 // G4cout << G4endl; << 134 while(!input.eof())
178 } << 135 {
>> 136 double t;
>> 137 input>>t;
>> 138 tdummyVec.push_back(t);
>> 139 input>>map1[t][0]>>map1[t][1]>>map1[t][2]>>map1[t][3]>>map1[t][4]>>map1[t][5]>>map1[t][6]>>map1[t][7]>>map1[t][8];
>> 140 //G4cout<<t<<" "<<map1[t][0]<<map1[t][1]<<map1[t][2]<<map1[t][3]<<map1[t][4]<<map1[t][5]<<map1[t][6]<<map1[t][7]<<map1[t][8]<<G4endl;
>> 141 }
179 } 142 }
180 143
181 //....oooOO0OOooo........oooOO0OOooo........oo << 144 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
182 145
183 G4double G4DNASancheExcitationModel::CrossSect << 146 G4double G4DNASancheExcitationModel::CrossSectionPerVolume(const G4Material* material,
184 << 147 const G4ParticleDefinition* particleDefinition,
185 #ifdef SANCHE_VERBOSE <<
186 <<
187 #endif <<
188 <<
189 148 G4double ekin,
190 149 G4double,
191 150 G4double)
192 { 151 {
193 #ifdef SANCHE_VERBOSE << 152 if (verboseLevel > 3)
194 if (verboseLevel > 3) << 153 G4cout << "Calling CrossSectionPerVolume() of G4DNASancheExcitationModel" << G4endl;
195 { <<
196 G4cout << "Calling CrossSectionPerVolume() <<
197 << G4endl; <<
198 } <<
199 #endif <<
200 154
201 // Calculate total cross section for model << 155 // Calculate total cross section for model
202 156
203 G4double sigma = 0.; << 157 G4double sigma=0;
204 158
205 G4double waterDensity = (*fpWaterDensity)[ma << 159 G4double waterDensity = (*fpWaterDensity)[material->GetIndex()];
206 160
207 if (ekin >= LowEnergyLimit() && ekin <= High << 161 if(waterDensity!= 0.0)
208 sigma = TotalCrossSection(ekin); << 162 // if (material == nistwater || material->GetBaseMaterial() == nistwater)
>> 163 {
209 164
210 #ifdef SANCHE_VERBOSE << 165 if (particleDefinition == G4Electron::ElectronDefinition())
211 if (verboseLevel > 2) << 166 {
212 { << 167 if (ekin >= lowEnergyLimit && ekin < highEnergyLimit)
213 G4cout << "_______________________________ << 168 {
214 G4cout << "=== G4DNASancheExcitationModel << 169 sigma = Sum(ekin);
215 G4cout << "=== Kinetic energy(eV)=" << eki << 170 }
216 G4cout << "=== Cross section per water mol << 171 }
217 G4cout << "=== Cross section per water mol << 172
218 G4cout << "=== G4DNASancheExcitationModel << 173 if (verboseLevel > 2)
219 } << 174 {
220 #endif << 175 G4cout << "__________________________________" << G4endl;
>> 176 G4cout << "°°° G4DNASancheExcitationModel - XS INFO START" << G4endl;
>> 177 G4cout << "°°° Kinetic energy(eV)=" << ekin/eV << " particle : " << particleDefinition->GetParticleName() << G4endl;
>> 178 G4cout << "°°° Cross section per water molecule (cm^2)=" << sigma/cm/cm << G4endl;
>> 179 G4cout << "°°° Cross section per water molecule (cm^-1)=" << sigma*waterDensity/(1./cm) << G4endl;
>> 180 // G4cout << " - Cross section per water molecule (cm^-1)=" << sigma*material->GetAtomicNumDensityVector()[1]/(1./cm) << G4endl;
>> 181 G4cout << "°°° G4DNASancheExcitationModel - XS INFO END" << G4endl;
>> 182 }
>> 183
>> 184 } // if water
>> 185
>> 186
>> 187 // return sigma*2*material->GetAtomicNumDensityVector()[1];
>> 188 return sigma*2*waterDensity;
>> 189 // see papers for factor 2 description
221 190
222 return sigma*2.*waterDensity; <<
223 // see papers for factor 2 description (liqu <<
224 } 191 }
225 192
226 //....oooOO0OOooo........oooOO0OOooo........oo << 193 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
227 194
228 void G4DNASancheExcitationModel::SampleSeconda << 195 void G4DNASancheExcitationModel::SampleSecondaries(std::vector<G4DynamicParticle*>*,
229 <<
230 196 const G4MaterialCutsCouple*,
231 197 const G4DynamicParticle* aDynamicElectron,
232 198 G4double,
233 199 G4double)
234 { 200 {
235 #ifdef SANCHE_VERBOSE <<
236 if (verboseLevel > 3) <<
237 { <<
238 G4cout << "Calling SampleSecondaries() of <<
239 << G4endl; <<
240 } <<
241 #endif <<
242 201
243 G4double electronEnergy0 = aDynamicElectron- << 202 if (verboseLevel > 3)
244 G4int level = RandomSelect(electronEnergy0); << 203 G4cout << "Calling SampleSecondaries() of G4DNASancheExcitationModel" << G4endl;
245 G4double excitationEnergy = VibrationEnergy( <<
246 G4double newEnergy = electronEnergy0 - excit <<
247 <<
248 /* <<
249 if (electronEnergy0 < highEnergyLimit) <<
250 { <<
251 if (newEnergy >= lowEnergyLimit) <<
252 { <<
253 fParticleChangeForGamma->ProposeMomentu <<
254 fParticleChangeForGamma->SetProposedKin <<
255 fParticleChangeForGamma->ProposeLocalEn <<
256 } <<
257 <<
258 else <<
259 { <<
260 fParticleChangeForGamma->ProposeTrackSt <<
261 fParticleChangeForGamma->ProposeLocalEn <<
262 } <<
263 } <<
264 */ <<
265 204
266 if (electronEnergy0 <= HighEnergyLimit() && << 205 G4double electronEnergy0 = aDynamicElectron->GetKineticEnergy();
267 { << 206 G4int level = RandomSelect(electronEnergy0);
>> 207 G4double excitationEnergy = VibrationEnergy(level); // levels go from 0 to 8
>> 208 G4double newEnergy = electronEnergy0 - excitationEnergy;
268 209
269 if (!statCode) << 210 /*
270 { << 211 if (electronEnergy0 < highEnergyLimit)
>> 212 {
>> 213 if (newEnergy >= lowEnergyLimit)
>> 214 {
271 fParticleChangeForGamma->ProposeMomentum 215 fParticleChangeForGamma->ProposeMomentumDirection(aDynamicElectron->GetMomentumDirection());
272 fParticleChangeForGamma->SetProposedKine 216 fParticleChangeForGamma->SetProposedKineticEnergy(newEnergy);
273 fParticleChangeForGamma->ProposeLocalEne 217 fParticleChangeForGamma->ProposeLocalEnergyDeposit(excitationEnergy);
274 } 218 }
275 219
276 else << 220 else
277 { 221 {
278 fParticleChangeForGamma->ProposeMomentum << 222 fParticleChangeForGamma->ProposeTrackStatus(fStopAndKill);
279 fParticleChangeForGamma->SetProposedKine << 223 fParticleChangeForGamma->ProposeLocalEnergyDeposit(electronEnergy0);
280 fParticleChangeForGamma->ProposeLocalEne <<
281 } 224 }
282 <<
283 } 225 }
>> 226 */
284 227
285 // << 228 if (electronEnergy0 < highEnergyLimit && newEnergy>0.)
286 } << 229 {
287 << 230 fParticleChangeForGamma->ProposeMomentumDirection(aDynamicElectron->GetMomentumDirection());
288 //....oooOO0OOooo........oooOO0OOooo........oo << 231 fParticleChangeForGamma->SetProposedKineticEnergy(newEnergy);
>> 232 fParticleChangeForGamma->ProposeLocalEnergyDeposit(excitationEnergy);
>> 233 }
289 234
290 G4double G4DNASancheExcitationModel::PartialCr << 235 //
291 <<
292 { <<
293 // Protection against out of boundary access <<
294 if (t/eV==tdummyVec.back()) t=t*(1.-1e-12); <<
295 // <<
296 <<
297 auto t2 = std::upper_bound(tdummyVec.begin() <<
298 <<
299 auto t1 = t2 - 1; <<
300 <<
301 size_t i1 = t1 - tdummyVec.begin(); <<
302 size_t i2 = t2 - tdummyVec.begin(); <<
303 <<
304 G4double sigma = LinInterpolate((*t1), (*t2) <<
305 t / eV, <<
306 fEnergyLevelXS <<
307 fEnergyLevelXS <<
308 <<
309 static const G4double conv_factor = 1e-16 * <<
310 <<
311 sigma *= conv_factor; <<
312 if (sigma == 0.) sigma = 1e-30; <<
313 return (sigma); <<
314 } 236 }
315 237
316 //....oooOO0OOooo........oooOO0OOooo........oo 238 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
317 239
318 G4double G4DNASancheExcitationModel::TotalCros << 240 G4double G4DNASancheExcitationModel::PartialCrossSection(G4double t, G4int level)
319 { 241 {
320 // Protection against out of boundary access << 242 std::vector<double>::iterator t2 = std::upper_bound(tdummyVec.begin(),tdummyVec.end(), t/eV);
321 if (t/eV==tdummyVec.back()) t=t*(1.-1e-12); << 243 std::vector<double>::iterator t1 = t2-1;
322 // << 244
323 << 245 double sigma = LinInterpolate((*t1), (*t2), t/eV, map1[*t1][level], map1[*t2][level]);
324 auto t2 = std::upper_bound(tdummyVec.begin() << 246 sigma*=1e-16*cm*cm;
325 << 247 if(sigma==0.)sigma=1e-30;
326 auto t1 = t2 - 1; << 248 return (sigma);
327 <<
328 size_t i1 = t1 - tdummyVec.begin(); <<
329 size_t i2 = t2 - tdummyVec.begin(); <<
330 <<
331 G4double sigma = LinInterpolate((*t1), (*t2) <<
332 t / eV, <<
333 fEnergyTotalXS <<
334 fEnergyTotalXS <<
335 <<
336 static const G4double conv_factor = 1e-16 * <<
337 <<
338 sigma *= conv_factor; <<
339 if (sigma == 0.) sigma = 1e-30; <<
340 return (sigma); <<
341 } 249 }
342 250
343 //....oooOO0OOooo........oooOO0OOooo........oo 251 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
344 252
345 G4double G4DNASancheExcitationModel::Vibration 253 G4double G4DNASancheExcitationModel::VibrationEnergy(G4int level)
346 { 254 {
347 static G4double energies[9] = { 0.01, 0.024, << 255 G4double energies[9] = {0.01, 0.024, 0.061, 0.092, 0.204, 0.417, 0.460, 0.500, 0.835};
348 0.500, 0.835 }; << 256 return(energies[level]*eV);
349 return (energies[level] * eV); <<
350 } 257 }
351 258
352 //....oooOO0OOooo........oooOO0OOooo........oo 259 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
353 260
354 G4int G4DNASancheExcitationModel::RandomSelect 261 G4int G4DNASancheExcitationModel::RandomSelect(G4double k)
355 { 262 {
356 263
357 // Level Selection Counting can be done here << 264 // Level Selection Counting can be done here !
358 265
359 G4int i = nLevels; << 266 G4int i = nLevels;
360 G4double value = 0.; << 267 G4double value = 0.;
361 std::deque<G4double> values; << 268 std::deque<double> values;
362 269
363 while (i > 0) << 270 while (i > 0)
364 { << 271 {
365 i--; << 272 i--;
366 G4double partial = PartialCrossSection(k, << 273 G4double partial = PartialCrossSection(k,i);
367 values.push_front(partial); << 274 values.push_front(partial);
368 value += partial; << 275 value += partial;
369 } << 276 }
370 <<
371 value *= G4UniformRand(); <<
372 277
373 i = nLevels; << 278 value *= G4UniformRand();
>> 279
>> 280 i = nLevels;
374 281
375 while (i > 0) << 282 while (i > 0)
376 { <<
377 i--; <<
378 if (values[i] > value) <<
379 { 283 {
380 //outcount<<i<<" "<<VibrationEnergy(i)< << 284 i--;
381 return i; << 285 if (values[i] > value)
>> 286 {
>> 287 //outcount<<i<<" "<<VibrationEnergy(i)<<G4endl;
>> 288 return i;
>> 289 }
>> 290 value -= values[i];
382 } 291 }
383 value -= values[i]; <<
384 } <<
385 292
386 //outcount<<0<<" "<<VibrationEnergy(0)<<G4e << 293 //outcount<<0<<" "<<VibrationEnergy(0)<<G4endl;
387 294
388 return 0; << 295 return 0;
389 } 296 }
390 297
391 //....oooOO0OOooo........oooOO0OOooo........oo 298 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
392 299
393 G4double G4DNASancheExcitationModel::Sum(G4dou 300 G4double G4DNASancheExcitationModel::Sum(G4double k)
394 { 301 {
395 G4double totalCrossSection = 0.; << 302 G4double totalCrossSection = 0.;
396 <<
397 for (G4int i = 0; i < nLevels; i++) <<
398 { <<
399 totalCrossSection += PartialCrossSection(k <<
400 } <<
401 303
402 return totalCrossSection; << 304 for (G4int i=0; i<nLevels; i++)
>> 305 {
>> 306 totalCrossSection += PartialCrossSection(k,i);
>> 307 }
>> 308 return totalCrossSection;
403 } 309 }
404 310
405 //....oooOO0OOooo........oooOO0OOooo........oo 311 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
406 312
407 G4double G4DNASancheExcitationModel::LinInterp << 313 G4double G4DNASancheExcitationModel::LinInterpolate(G4double e1,
408 314 G4double e2,
409 315 G4double e,
410 316 G4double xs1,
411 317 G4double xs2)
412 { 318 {
413 G4double a = (xs2 - xs1) / (e2 - e1); << 319 G4double a = (xs2 - xs1) / (e2 - e1);
414 G4double b = xs2 - a * e2; << 320 G4double b = xs2 - a*e2;
415 G4double value = a * e + b; << 321 G4double value = a*e + b;
416 // G4cout<<"interP >> "<<e1<<" "<<e2<<" " << 322 // G4cout<<"interP >> "<<e1<<" "<<e2<<" "<<e<<" "<<xs1<<" "<<xs2<<" "<<a<<" "<<b<<" "<<value<<G4endl;
417 // <<xs1<<" "<<xs2<<" "<<a<<" "<<b<<" "< <<
418 323
419 return value; << 324 return value;
420 } 325 }
421 326
422 327