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26 // 26 //
27 27
28 #include "G4DNABornExcitationModel2.hh" 28 #include "G4DNABornExcitationModel2.hh"
29 #include "G4SystemOfUnits.hh" 29 #include "G4SystemOfUnits.hh"
30 #include "G4DNAChemistryManager.hh" 30 #include "G4DNAChemistryManager.hh"
31 #include "G4DNAMolecularMaterial.hh" 31 #include "G4DNAMolecularMaterial.hh"
32 #include "G4PhysicsTable.hh" 32 #include "G4PhysicsTable.hh"
33 #include "G4PhysicsVector.hh" 33 #include "G4PhysicsVector.hh"
34 #include "G4UnitsTable.hh" 34 #include "G4UnitsTable.hh"
35 #include <map> 35 #include <map>
36 36
37 //....oooOO0OOooo........oooOO0OOooo........oo 37 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
38 38
39 using namespace std; 39 using namespace std;
40 40
41 //....oooOO0OOooo........oooOO0OOooo........oo 41 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
42 42
43 G4DNABornExcitationModel2::G4DNABornExcitation 43 G4DNABornExcitationModel2::G4DNABornExcitationModel2(const G4ParticleDefinition*,
44 44 const G4String& nam) :
45 G4VEmModel(nam) << 45 G4VEmModel(nam), isInitialised(false), fTableData(0)
46 { 46 {
47 fpMolWaterDensity = nullptr; << 47 fpMolWaterDensity = 0;
48 fHighEnergy = 0; 48 fHighEnergy = 0;
49 fLowEnergy = 0; 49 fLowEnergy = 0;
50 fParticleDefinition = nullptr; << 50 fParticleDefinition = 0;
51 51
52 verboseLevel = 0; 52 verboseLevel = 0;
53 // Verbosity scale: 53 // Verbosity scale:
54 // 0 = nothing 54 // 0 = nothing
55 // 1 = warning for energy non-conservation 55 // 1 = warning for energy non-conservation
56 // 2 = details of energy budget 56 // 2 = details of energy budget
57 // 3 = calculation of cross sections, file o 57 // 3 = calculation of cross sections, file openings, sampling of atoms
58 // 4 = entering in methods 58 // 4 = entering in methods
59 59
60 if (verboseLevel > 0) 60 if (verboseLevel > 0)
61 { 61 {
62 G4cout << "Born excitation model is constr 62 G4cout << "Born excitation model is constructed " << G4endl;
63 } 63 }
64 fParticleChangeForGamma = nullptr; << 64 fParticleChangeForGamma = 0;
65 fLastBinCallForFinalXS = 0; 65 fLastBinCallForFinalXS = 0;
66 fTotalXS = nullptr; << 66 fTotalXS = 0;
67 fTableData = nullptr; << 67 fTableData = 0;
68 68
69 // Selection of stationary mode 69 // Selection of stationary mode
70 70
71 statCode = false; 71 statCode = false;
72 } 72 }
73 73
74 //....oooOO0OOooo........oooOO0OOooo........oo 74 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
75 75
76 G4DNABornExcitationModel2::~G4DNABornExcitatio 76 G4DNABornExcitationModel2::~G4DNABornExcitationModel2()
77 { 77 {
78 // Cross section 78 // Cross section
79 << 79 if (fTableData)
80 delete fTableData; 80 delete fTableData;
81 } 81 }
82 82
83 //....oooOO0OOooo........oooOO0OOooo........oo 83 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
84 84
85 void G4DNABornExcitationModel2::Initialise(con 85 void G4DNABornExcitationModel2::Initialise(const G4ParticleDefinition* particle,
86 con 86 const G4DataVector& /*cuts*/)
87 { 87 {
88 88
89 if (verboseLevel > 3) 89 if (verboseLevel > 3)
90 { 90 {
91 G4cout << "Calling G4DNABornExcitationMode 91 G4cout << "Calling G4DNABornExcitationModel2::Initialise()" << G4endl;
92 } 92 }
93 93
94 if(fParticleDefinition != nullptr && fPartic << 94 if(fParticleDefinition != 0 && fParticleDefinition != particle)
95 { 95 {
96 G4Exception("G4DNABornExcitationModel2::In 96 G4Exception("G4DNABornExcitationModel2::Initialise","em0001",
97 FatalException,"Model already initiali 97 FatalException,"Model already initialized for another particle type.");
98 } 98 }
99 99
100 fParticleDefinition = particle; 100 fParticleDefinition = particle;
101 101
102 std::ostringstream fullFileName; 102 std::ostringstream fullFileName;
103 const char* path = G4FindDataDir("G4LEDATA") 103 const char* path = G4FindDataDir("G4LEDATA");
104 104
105 if(G4String(path).empty()) << 105 if(G4String(path) == "")
106 { 106 {
107 G4Exception("G4DNABornExcitationModel2::In 107 G4Exception("G4DNABornExcitationModel2::Initialise","G4LEDATA-CHECK",
108 FatalException, "G4LEDATA not defined 108 FatalException, "G4LEDATA not defined in environment variables");
109 } 109 }
110 110
111 fullFileName << path; 111 fullFileName << path;
112 112
113 if(particle->GetParticleName() == "e-") 113 if(particle->GetParticleName() == "e-")
114 { 114 {
115 fullFileName << "/dna/bornExcitation-e.dat 115 fullFileName << "/dna/bornExcitation-e.dat";
116 fLowEnergy = 9*eV; 116 fLowEnergy = 9*eV;
117 fHighEnergy = 1*MeV; 117 fHighEnergy = 1*MeV;
118 } 118 }
119 else if(particle->GetParticleName() == "prot 119 else if(particle->GetParticleName() == "proton")
120 { 120 {
121 fullFileName << "/dna/bornExcitation-p.dat 121 fullFileName << "/dna/bornExcitation-p.dat";
122 fLowEnergy = 500. * keV; 122 fLowEnergy = 500. * keV;
123 fHighEnergy = 100. * MeV; 123 fHighEnergy = 100. * MeV;
124 } 124 }
125 125
126 SetLowEnergyLimit(fLowEnergy); 126 SetLowEnergyLimit(fLowEnergy);
127 SetHighEnergyLimit(fHighEnergy); 127 SetHighEnergyLimit(fHighEnergy);
128 128
129 //G4double scaleFactor = (1.e-22 / 3.343) * 129 //G4double scaleFactor = (1.e-22 / 3.343) * m*m;
130 130
131 fTableData = new G4PhysicsTable(); 131 fTableData = new G4PhysicsTable();
132 fTableData->RetrievePhysicsTable(fullFileNam 132 fTableData->RetrievePhysicsTable(fullFileName.str().c_str(), true);
133 /* 133 /*
134 for(std::size_t level = 0; level<fTableData- 134 for(std::size_t level = 0; level<fTableData->size(); ++level)
135 { 135 {
136 //(*fTableData)(level)->ScaleVector(1,scal 136 //(*fTableData)(level)->ScaleVector(1,scaleFactor);
137 } 137 }
138 */ 138 */
139 std::size_t finalBin_i = 2000; 139 std::size_t finalBin_i = 2000;
140 G4double E_min = fLowEnergy; 140 G4double E_min = fLowEnergy;
141 G4double E_max = fHighEnergy; 141 G4double E_max = fHighEnergy;
142 fTotalXS = new G4PhysicsLogVector(E_min, E_m 142 fTotalXS = new G4PhysicsLogVector(E_min, E_max, finalBin_i, true);
143 G4double energy; 143 G4double energy;
144 G4double finalXS; 144 G4double finalXS;
145 145
146 for(std::size_t energy_i = 0; energy_i < fin 146 for(std::size_t energy_i = 0; energy_i < finalBin_i; ++energy_i)
147 { 147 {
148 energy = fTotalXS->Energy(energy_i); 148 energy = fTotalXS->Energy(energy_i);
149 finalXS = 0; 149 finalXS = 0;
150 150
151 for(std::size_t level = 0; level<fTableDat 151 for(std::size_t level = 0; level<fTableData->size(); ++level)
152 { 152 {
153 finalXS += (*fTableData)(level)->Value(e 153 finalXS += (*fTableData)(level)->Value(energy);
154 } 154 }
155 fTotalXS->PutValue(energy_i, finalXS); 155 fTotalXS->PutValue(energy_i, finalXS);
156 //G4cout << "energy = " << energy << " " < 156 //G4cout << "energy = " << energy << " " << fTotalXS->Value(energy)
157 // << " " << energy_i << " " << fina 157 // << " " << energy_i << " " << finalXS << G4endl;
158 } 158 }
159 159
160 // for(energy = LowEnergyLimit() ; energy 160 // for(energy = LowEnergyLimit() ; energy < HighEnergyLimit() ; energy += 1*pow(10,log10(energy)))
161 // { 161 // {
162 // G4cout << "energy = " << energy << " 162 // G4cout << "energy = " << energy << " " << fTotalXS->Value(energy) << G4endl;
163 // } 163 // }
164 164
165 if( verboseLevel>0 ) 165 if( verboseLevel>0 )
166 { 166 {
167 G4cout << "Born excitation model is initia 167 G4cout << "Born excitation model is initialized " << G4endl
168 << "Energy range: " 168 << "Energy range: "
169 << LowEnergyLimit() / eV << " eV - " 169 << LowEnergyLimit() / eV << " eV - "
170 << HighEnergyLimit() / keV << " keV for " 170 << HighEnergyLimit() / keV << " keV for "
171 << particle->GetParticleName() 171 << particle->GetParticleName()
172 << G4endl; 172 << G4endl;
173 } 173 }
174 174
175 // Initialize water density pointer 175 // Initialize water density pointer
176 fpMolWaterDensity = G4DNAMolecularMaterial:: 176 fpMolWaterDensity = G4DNAMolecularMaterial::Instance()->GetNumMolPerVolTableFor(G4Material::GetMaterial("G4_WATER"));
177 177
178 if (isInitialised) 178 if (isInitialised)
179 { return;} 179 { return;}
180 fParticleChangeForGamma = GetParticleChangeF 180 fParticleChangeForGamma = GetParticleChangeForGamma();
181 isInitialised = true; 181 isInitialised = true;
182 } 182 }
183 183
184 //....oooOO0OOooo........oooOO0OOooo........oo 184 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
185 185
186 G4double G4DNABornExcitationModel2::CrossSecti 186 G4double G4DNABornExcitationModel2::CrossSectionPerVolume(const G4Material* material,
187 187 const G4ParticleDefinition* particleDefinition,
188 188 G4double ekin,
189 189 G4double,
190 190 G4double)
191 { 191 {
192 if (verboseLevel > 3) 192 if (verboseLevel > 3)
193 { 193 {
194 G4cout << "Calling CrossSectionPerVolume() 194 G4cout << "Calling CrossSectionPerVolume() of G4DNABornExcitationModel2"
195 << G4endl; 195 << G4endl;
196 } 196 }
197 197
198 if(particleDefinition != fParticleDefinition 198 if(particleDefinition != fParticleDefinition) return 0;
199 199
200 // Calculate total cross section for model 200 // Calculate total cross section for model
201 201
202 G4double sigma=0; 202 G4double sigma=0;
203 203
204 G4double waterDensity = (*fpMolWaterDensity) 204 G4double waterDensity = (*fpMolWaterDensity)[material->GetIndex()];
205 205
206 if (ekin >= fLowEnergy && ekin <= fHighEnerg 206 if (ekin >= fLowEnergy && ekin <= fHighEnergy)
207 { 207 {
208 sigma = fTotalXS->Value(ekin, fLastBinCall 208 sigma = fTotalXS->Value(ekin, fLastBinCallForFinalXS);
209 209
210 // for(std::size_t i = 0; i < 5; ++i) 210 // for(std::size_t i = 0; i < 5; ++i)
211 // sigma += (*fTableData)[i]->Value(ekin); 211 // sigma += (*fTableData)[i]->Value(ekin);
212 212
213 if(sigma == 0) 213 if(sigma == 0)
214 { 214 {
215 G4cerr << "PROBLEM SIGMA = 0 at " << G4B 215 G4cerr << "PROBLEM SIGMA = 0 at " << G4BestUnit(ekin, "Energy")<< G4endl;
216 } 216 }
217 } 217 }
218 218
219 if (verboseLevel > 2) 219 if (verboseLevel > 2)
220 { 220 {
221 G4cout << "_______________________________ 221 G4cout << "__________________________________" << G4endl;
222 G4cout << "G4DNABornExcitationModel2 - XS 222 G4cout << "G4DNABornExcitationModel2 - XS INFO START" << G4endl;
223 G4cout << "Kinetic energy(eV)=" << ekin/eV 223 G4cout << "Kinetic energy(eV)=" << ekin/eV << " particle : " << particleDefinition->GetParticleName() << G4endl;
224 G4cout << "Cross section per water molecul 224 G4cout << "Cross section per water molecule (cm^2)=" << sigma/cm/cm << G4endl;
225 G4cout << "Cross section per water molecul 225 G4cout << "Cross section per water molecule (cm^-1)=" << sigma*waterDensity/(1./cm) << G4endl;
226 G4cout << "G4DNABornExcitationModel2 - XS 226 G4cout << "G4DNABornExcitationModel2 - XS INFO END" << G4endl;
227 } 227 }
228 228
229 return sigma*waterDensity; 229 return sigma*waterDensity;
230 } 230 }
231 231
232 //....oooOO0OOooo........oooOO0OOooo........oo 232 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
233 233
234 void G4DNABornExcitationModel2::SampleSecondar 234 void G4DNABornExcitationModel2::SampleSecondaries(std::vector<G4DynamicParticle*>* /*fvect*/,
235 235 const G4MaterialCutsCouple* /*couple*/,
236 236 const G4DynamicParticle* aDynamicParticle,
237 237 G4double,
238 238 G4double)
239 { 239 {
240 240
241 if (verboseLevel > 3) 241 if (verboseLevel > 3)
242 { 242 {
243 G4cout << "Calling SampleSecondaries() of 243 G4cout << "Calling SampleSecondaries() of G4DNABornExcitationModel2"
244 << G4endl; 244 << G4endl;
245 } 245 }
246 246
247 G4double k = aDynamicParticle->GetKineticEne 247 G4double k = aDynamicParticle->GetKineticEnergy();
248 248
249 G4int level = RandomSelect(k); 249 G4int level = RandomSelect(k);
250 G4double excitationEnergy = waterStructure.E 250 G4double excitationEnergy = waterStructure.ExcitationEnergy(level);
251 G4double newEnergy = k - excitationEnergy; 251 G4double newEnergy = k - excitationEnergy;
252 252
253 if (newEnergy > 0) 253 if (newEnergy > 0)
254 { 254 {
255 fParticleChangeForGamma->ProposeMomentumDi 255 fParticleChangeForGamma->ProposeMomentumDirection(aDynamicParticle->GetMomentumDirection());
256 256
257 if (!statCode) fParticleChangeForGamma->Se 257 if (!statCode) fParticleChangeForGamma->SetProposedKineticEnergy(newEnergy);
258 else fParticleChangeForGamma->SetProposedK 258 else fParticleChangeForGamma->SetProposedKineticEnergy(k);
259 259
260 fParticleChangeForGamma->ProposeLocalEnerg 260 fParticleChangeForGamma->ProposeLocalEnergyDeposit(excitationEnergy);
261 } 261 }
262 262
263 const G4Track * theIncomingTrack = fParticle 263 const G4Track * theIncomingTrack = fParticleChangeForGamma->GetCurrentTrack();
264 G4DNAChemistryManager::Instance()->CreateWat 264 G4DNAChemistryManager::Instance()->CreateWaterMolecule(eExcitedMolecule,
265 level, 265 level,
266 theIncomingTrack); 266 theIncomingTrack);
267 } 267 }
268 268
269 //....oooOO0OOooo........oooOO0OOooo........oo 269 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
270 270
271 G4double G4DNABornExcitationModel2::GetPartial 271 G4double G4DNABornExcitationModel2::GetPartialCrossSection(const G4Material*,
272 272 G4int level,
273 273 const G4ParticleDefinition* particle,
274 274 G4double kineticEnergy)
275 { 275 {
276 if (fParticleDefinition != particle) 276 if (fParticleDefinition != particle)
277 { 277 {
278 G4Exception("G4DNABornExcitationModel2::Ge 278 G4Exception("G4DNABornExcitationModel2::GetPartialCrossSection",
279 "bornParticleType", 279 "bornParticleType",
280 FatalException, 280 FatalException,
281 "Model initialized for another 281 "Model initialized for another particle type.");
282 } 282 }
283 283
284 return (*fTableData)(level)->Value(kineticEn 284 return (*fTableData)(level)->Value(kineticEnergy);
285 } 285 }
286 286
287 //....oooOO0OOooo........oooOO0OOooo........oo 287 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
288 288
289 G4int G4DNABornExcitationModel2::RandomSelect( 289 G4int G4DNABornExcitationModel2::RandomSelect(G4double k)
290 { 290 {
291 const std::size_t n(fTableData->size()); 291 const std::size_t n(fTableData->size());
292 std::size_t i(n); 292 std::size_t i(n);
293 293
294 G4double value = fTotalXS->Value(k, fLastBin 294 G4double value = fTotalXS->Value(k, fLastBinCallForFinalXS);
295 295
296 value *= G4UniformRand(); 296 value *= G4UniformRand();
297 i = n; 297 i = n;
298 298
299 G4double partialXS; 299 G4double partialXS;
300 300
301 while (i > 0) 301 while (i > 0)
302 { 302 {
303 i--; 303 i--;
304 304
305 partialXS = (*fTableData)(i)->Value(k); 305 partialXS = (*fTableData)(i)->Value(k);
306 if (partialXS > value) 306 if (partialXS > value)
307 { 307 {
308 return (G4int)i; 308 return (G4int)i;
309 } 309 }
310 value -= partialXS; 310 value -= partialXS;
311 } 311 }
312 312
313 return 0; 313 return 0;
314 } 314 }
315 315
316 316