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