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25 // 25 //
>> 26 // $Id: G4DNABornExcitationModel2.cc 90054 2015-05-11 18:47:32Z matkara $
26 // 27 //
27 28
28 #include "G4DNABornExcitationModel2.hh" 29 #include "G4DNABornExcitationModel2.hh"
29 #include "G4SystemOfUnits.hh" 30 #include "G4SystemOfUnits.hh"
30 #include "G4DNAChemistryManager.hh" 31 #include "G4DNAChemistryManager.hh"
31 #include "G4DNAMolecularMaterial.hh" 32 #include "G4DNAMolecularMaterial.hh"
32 #include "G4PhysicsTable.hh" 33 #include "G4PhysicsTable.hh"
33 #include "G4PhysicsVector.hh" 34 #include "G4PhysicsVector.hh"
34 #include "G4UnitsTable.hh" 35 #include "G4UnitsTable.hh"
35 #include <map> 36 #include <map>
36 37
37 //....oooOO0OOooo........oooOO0OOooo........oo 38 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
38 39
39 using namespace std; 40 using namespace std;
40 41
41 //....oooOO0OOooo........oooOO0OOooo........oo 42 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
42 43
43 G4DNABornExcitationModel2::G4DNABornExcitation 44 G4DNABornExcitationModel2::G4DNABornExcitationModel2(const G4ParticleDefinition*,
44 45 const G4String& nam) :
45 G4VEmModel(nam) << 46 G4VEmModel(nam), isInitialised(false), fTableData(0)
46 { 47 {
47 fpMolWaterDensity = nullptr; << 48 fpMolWaterDensity = 0;
48 fHighEnergy = 0; 49 fHighEnergy = 0;
49 fLowEnergy = 0; 50 fLowEnergy = 0;
50 fParticleDefinition = nullptr; << 51 fParticleDefinition = 0;
51 52
52 verboseLevel = 0; 53 verboseLevel = 0;
53 // Verbosity scale: 54 // Verbosity scale:
54 // 0 = nothing 55 // 0 = nothing
55 // 1 = warning for energy non-conservation 56 // 1 = warning for energy non-conservation
56 // 2 = details of energy budget 57 // 2 = details of energy budget
57 // 3 = calculation of cross sections, file o 58 // 3 = calculation of cross sections, file openings, sampling of atoms
58 // 4 = entering in methods 59 // 4 = entering in methods
59 60
60 if (verboseLevel > 0) 61 if (verboseLevel > 0)
61 { 62 {
62 G4cout << "Born excitation model is constr 63 G4cout << "Born excitation model is constructed " << G4endl;
63 } 64 }
64 fParticleChangeForGamma = nullptr; << 65 fParticleChangeForGamma = 0;
65 fLastBinCallForFinalXS = 0; 66 fLastBinCallForFinalXS = 0;
66 fTotalXS = nullptr; << 67 fTotalXS = 0;
67 fTableData = nullptr; << 68 fTableData = 0;
68 69
69 // Selection of stationary mode 70 // Selection of stationary mode
70 71
71 statCode = false; 72 statCode = false;
72 } 73 }
73 74
74 //....oooOO0OOooo........oooOO0OOooo........oo 75 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
75 76
76 G4DNABornExcitationModel2::~G4DNABornExcitatio 77 G4DNABornExcitationModel2::~G4DNABornExcitationModel2()
77 { 78 {
78 // Cross section 79 // Cross section
79 << 80 if (fTableData)
80 delete fTableData; 81 delete fTableData;
81 } 82 }
82 83
83 //....oooOO0OOooo........oooOO0OOooo........oo 84 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
84 85
85 void G4DNABornExcitationModel2::Initialise(con 86 void G4DNABornExcitationModel2::Initialise(const G4ParticleDefinition* particle,
86 con 87 const G4DataVector& /*cuts*/)
87 { 88 {
88 89
89 if (verboseLevel > 3) 90 if (verboseLevel > 3)
90 { 91 {
91 G4cout << "Calling G4DNABornExcitationMode 92 G4cout << "Calling G4DNABornExcitationModel2::Initialise()" << G4endl;
92 } 93 }
93 94
94 if(fParticleDefinition != nullptr && fPartic << 95 if(fParticleDefinition != 0 && fParticleDefinition != particle)
95 { 96 {
96 G4Exception("G4DNABornExcitationModel2::In 97 G4Exception("G4DNABornExcitationModel2::Initialise","em0001",
97 FatalException,"Model already initiali 98 FatalException,"Model already initialized for another particle type.");
98 } 99 }
99 100
100 fParticleDefinition = particle; 101 fParticleDefinition = particle;
101 102
102 std::ostringstream fullFileName; 103 std::ostringstream fullFileName;
103 const char* path = G4FindDataDir("G4LEDATA") << 104 char *path = getenv("G4LEDATA");
104 105
105 if(G4String(path).empty()) << 106 if(G4String(path) == "")
106 { 107 {
107 G4Exception("G4DNABornExcitationModel2::In 108 G4Exception("G4DNABornExcitationModel2::Initialise","G4LEDATA-CHECK",
108 FatalException, "G4LEDATA not defined 109 FatalException, "G4LEDATA not defined in environment variables");
109 } 110 }
110 111
111 fullFileName << path; 112 fullFileName << path;
112 113
113 if(particle->GetParticleName() == "e-") 114 if(particle->GetParticleName() == "e-")
114 { 115 {
115 fullFileName << "/dna/bornExcitation-e.dat 116 fullFileName << "/dna/bornExcitation-e.dat";
116 fLowEnergy = 9*eV; 117 fLowEnergy = 9*eV;
117 fHighEnergy = 1*MeV; 118 fHighEnergy = 1*MeV;
118 } 119 }
119 else if(particle->GetParticleName() == "prot 120 else if(particle->GetParticleName() == "proton")
120 { 121 {
121 fullFileName << "/dna/bornExcitation-p.dat 122 fullFileName << "/dna/bornExcitation-p.dat";
122 fLowEnergy = 500. * keV; 123 fLowEnergy = 500. * keV;
123 fHighEnergy = 100. * MeV; 124 fHighEnergy = 100. * MeV;
124 } 125 }
125 126
126 SetLowEnergyLimit(fLowEnergy); 127 SetLowEnergyLimit(fLowEnergy);
127 SetHighEnergyLimit(fHighEnergy); 128 SetHighEnergyLimit(fHighEnergy);
128 129
129 //G4double scaleFactor = (1.e-22 / 3.343) * << 130 // G4double scaleFactor = (1.e-22 / 3.343) * m*m;
130 131
131 fTableData = new G4PhysicsTable(); 132 fTableData = new G4PhysicsTable();
132 fTableData->RetrievePhysicsTable(fullFileNam 133 fTableData->RetrievePhysicsTable(fullFileName.str().c_str(), true);
133 /* << 134 for(size_t level = 0; level<fTableData->size(); ++level)
134 for(std::size_t level = 0; level<fTableData- <<
135 { 135 {
136 //(*fTableData)(level)->ScaleVector(1,scal << 136 // (*fTableData)(level)->ScaleVector(1,scaleFactor);
>> 137 (*fTableData)(level)->SetSpline(true);
137 } 138 }
138 */ << 139
139 std::size_t finalBin_i = 2000; << 140 size_t finalBin_i = 2000;
140 G4double E_min = fLowEnergy; 141 G4double E_min = fLowEnergy;
141 G4double E_max = fHighEnergy; 142 G4double E_max = fHighEnergy;
142 fTotalXS = new G4PhysicsLogVector(E_min, E_m << 143 fTotalXS = new G4PhysicsLogVector(E_min, E_max, finalBin_i);
>> 144 fTotalXS->SetSpline(true);
143 G4double energy; 145 G4double energy;
144 G4double finalXS; 146 G4double finalXS;
145 147
146 for(std::size_t energy_i = 0; energy_i < fin << 148 for(size_t energy_i = 0; energy_i < finalBin_i; ++energy_i)
147 { 149 {
148 energy = fTotalXS->Energy(energy_i); 150 energy = fTotalXS->Energy(energy_i);
149 finalXS = 0; 151 finalXS = 0;
150 152
151 for(std::size_t level = 0; level<fTableDat << 153 for(size_t level = 0; level<fTableData->size(); ++level)
152 { 154 {
153 finalXS += (*fTableData)(level)->Value(e 155 finalXS += (*fTableData)(level)->Value(energy);
154 } 156 }
155 fTotalXS->PutValue(energy_i, finalXS); 157 fTotalXS->PutValue(energy_i, finalXS);
156 //G4cout << "energy = " << energy << " " < << 158 // G4cout << "energy = " << energy << " " << fTotalXS->Value(energy)
157 // << " " << energy_i << " " << fina << 159 // << " " << energy_i << " " << finalXS << G4endl;
158 } 160 }
159 161
160 // for(energy = LowEnergyLimit() ; energy << 162 // for(energy = LowEnergyLimit() ; energy < HighEnergyLimit() ; energy += 1*pow(10,log10(energy)))
161 // { << 163 // {
162 // G4cout << "energy = " << energy << " << 164 // G4cout << "energy = " << energy << " " << fTotalXS->Value(energy) << G4endl;
163 // } << 165 // }
164 166
165 if( verboseLevel>0 ) 167 if( verboseLevel>0 )
166 { 168 {
167 G4cout << "Born excitation model is initia 169 G4cout << "Born excitation model is initialized " << G4endl
168 << "Energy range: " 170 << "Energy range: "
169 << LowEnergyLimit() / eV << " eV - " 171 << LowEnergyLimit() / eV << " eV - "
170 << HighEnergyLimit() / keV << " keV for " 172 << HighEnergyLimit() / keV << " keV for "
171 << particle->GetParticleName() 173 << particle->GetParticleName()
172 << G4endl; 174 << G4endl;
173 } 175 }
174 176
175 // Initialize water density pointer 177 // Initialize water density pointer
176 fpMolWaterDensity = G4DNAMolecularMaterial:: 178 fpMolWaterDensity = G4DNAMolecularMaterial::Instance()->GetNumMolPerVolTableFor(G4Material::GetMaterial("G4_WATER"));
177 179
178 if (isInitialised) 180 if (isInitialised)
179 { return;} 181 { return;}
180 fParticleChangeForGamma = GetParticleChangeF 182 fParticleChangeForGamma = GetParticleChangeForGamma();
181 isInitialised = true; 183 isInitialised = true;
182 } 184 }
183 185
184 //....oooOO0OOooo........oooOO0OOooo........oo 186 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
185 187
186 G4double G4DNABornExcitationModel2::CrossSecti 188 G4double G4DNABornExcitationModel2::CrossSectionPerVolume(const G4Material* material,
187 189 const G4ParticleDefinition* particleDefinition,
188 190 G4double ekin,
189 191 G4double,
190 192 G4double)
191 { 193 {
192 if (verboseLevel > 3) 194 if (verboseLevel > 3)
193 { 195 {
194 G4cout << "Calling CrossSectionPerVolume() 196 G4cout << "Calling CrossSectionPerVolume() of G4DNABornExcitationModel2"
195 << G4endl; 197 << G4endl;
196 } 198 }
197 199
198 if(particleDefinition != fParticleDefinition 200 if(particleDefinition != fParticleDefinition) return 0;
199 201
200 // Calculate total cross section for model 202 // Calculate total cross section for model
201 203
202 G4double sigma=0; 204 G4double sigma=0;
203 205
204 G4double waterDensity = (*fpMolWaterDensity) 206 G4double waterDensity = (*fpMolWaterDensity)[material->GetIndex()];
205 207
206 if (ekin >= fLowEnergy && ekin <= fHighEnerg << 208 if(waterDensity!= 0.0)
207 { 209 {
208 sigma = fTotalXS->Value(ekin, fLastBinCall << 210 if (ekin >= fLowEnergy && ekin < fHighEnergy)
>> 211 {
>> 212 sigma = fTotalXS->Value(ekin, fLastBinCallForFinalXS);
209 213
210 // for(std::size_t i = 0; i < 5; ++i) << 214 // for(size_t i = 0; i < 5; ++i)
211 // sigma += (*fTableData)[i]->Value(ekin); << 215 // sigma += (*fTableData)[i]->Value(ekin);
212 216
213 if(sigma == 0) << 217 if(sigma == 0)
214 { << 218 {
215 G4cerr << "PROBLEM SIGMA = 0 at " << G4B << 219 G4cerr << "PROBLEM SIGMA = 0 at " << G4BestUnit(ekin, "Energy")<< G4endl;
>> 220 }
216 } 221 }
217 } <<
218 222
219 if (verboseLevel > 2) << 223 if (verboseLevel > 2)
>> 224 {
>> 225 G4cout << "__________________________________" << G4endl;
>> 226 G4cout << "G4DNABornExcitationModel2 - XS INFO START" << G4endl;
>> 227 G4cout << "Kinetic energy(eV)=" << ekin/eV << " particle : " << particleDefinition->GetParticleName() << G4endl;
>> 228 G4cout << "Cross section per water molecule (cm^2)=" << sigma/cm/cm << G4endl;
>> 229 G4cout << "Cross section per water molecule (cm^-1)=" << sigma*waterDensity/(1./cm) << G4endl;
>> 230 G4cout << "G4DNABornExcitationModel2 - XS INFO END" << G4endl;
>> 231 }
>> 232 } // if (waterMaterial)
>> 233 else
220 { 234 {
221 G4cout << "_______________________________ << 235 G4cerr << "PROBLEM NO WATER MATERIAL ?" << G4endl;
222 G4cout << "G4DNABornExcitationModel2 - XS <<
223 G4cout << "Kinetic energy(eV)=" << ekin/eV <<
224 G4cout << "Cross section per water molecul <<
225 G4cout << "Cross section per water molecul <<
226 G4cout << "G4DNABornExcitationModel2 - XS <<
227 } 236 }
228 237
229 return sigma*waterDensity; 238 return sigma*waterDensity;
230 } 239 }
231 240
232 //....oooOO0OOooo........oooOO0OOooo........oo 241 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
233 242
234 void G4DNABornExcitationModel2::SampleSecondar 243 void G4DNABornExcitationModel2::SampleSecondaries(std::vector<G4DynamicParticle*>* /*fvect*/,
235 244 const G4MaterialCutsCouple* /*couple*/,
236 245 const G4DynamicParticle* aDynamicParticle,
237 246 G4double,
238 247 G4double)
239 { 248 {
240 249
241 if (verboseLevel > 3) 250 if (verboseLevel > 3)
242 { 251 {
243 G4cout << "Calling SampleSecondaries() of 252 G4cout << "Calling SampleSecondaries() of G4DNABornExcitationModel2"
244 << G4endl; << 253 << G4endl;
245 } 254 }
246 255
247 G4double k = aDynamicParticle->GetKineticEne 256 G4double k = aDynamicParticle->GetKineticEnergy();
248 257
249 G4int level = RandomSelect(k); 258 G4int level = RandomSelect(k);
250 G4double excitationEnergy = waterStructure.E 259 G4double excitationEnergy = waterStructure.ExcitationEnergy(level);
251 G4double newEnergy = k - excitationEnergy; 260 G4double newEnergy = k - excitationEnergy;
252 261
253 if (newEnergy > 0) 262 if (newEnergy > 0)
254 { 263 {
255 fParticleChangeForGamma->ProposeMomentumDi 264 fParticleChangeForGamma->ProposeMomentumDirection(aDynamicParticle->GetMomentumDirection());
256 265
257 if (!statCode) fParticleChangeForGamma->Se 266 if (!statCode) fParticleChangeForGamma->SetProposedKineticEnergy(newEnergy);
258 else fParticleChangeForGamma->SetProposedK 267 else fParticleChangeForGamma->SetProposedKineticEnergy(k);
259 268
260 fParticleChangeForGamma->ProposeLocalEnerg 269 fParticleChangeForGamma->ProposeLocalEnergyDeposit(excitationEnergy);
261 } 270 }
262 271
263 const G4Track * theIncomingTrack = fParticle 272 const G4Track * theIncomingTrack = fParticleChangeForGamma->GetCurrentTrack();
264 G4DNAChemistryManager::Instance()->CreateWat 273 G4DNAChemistryManager::Instance()->CreateWaterMolecule(eExcitedMolecule,
265 level, 274 level,
266 theIncomingTrack); 275 theIncomingTrack);
267 } 276 }
268 277
269 //....oooOO0OOooo........oooOO0OOooo........oo 278 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
270 279
271 G4double G4DNABornExcitationModel2::GetPartial 280 G4double G4DNABornExcitationModel2::GetPartialCrossSection(const G4Material*,
272 281 G4int level,
273 282 const G4ParticleDefinition* particle,
274 283 G4double kineticEnergy)
275 { 284 {
276 if (fParticleDefinition != particle) 285 if (fParticleDefinition != particle)
277 { 286 {
278 G4Exception("G4DNABornExcitationModel2::Ge 287 G4Exception("G4DNABornExcitationModel2::GetPartialCrossSection",
279 "bornParticleType", 288 "bornParticleType",
280 FatalException, 289 FatalException,
281 "Model initialized for another 290 "Model initialized for another particle type.");
282 } 291 }
283 292
284 return (*fTableData)(level)->Value(kineticEn 293 return (*fTableData)(level)->Value(kineticEnergy);
285 } 294 }
286 295
287 //....oooOO0OOooo........oooOO0OOooo........oo 296 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
288 297
289 G4int G4DNABornExcitationModel2::RandomSelect( 298 G4int G4DNABornExcitationModel2::RandomSelect(G4double k)
290 { 299 {
291 const std::size_t n(fTableData->size()); << 300 const size_t n(fTableData->size());
292 std::size_t i(n); << 301 size_t i(n);
293 302
294 G4double value = fTotalXS->Value(k, fLastBin 303 G4double value = fTotalXS->Value(k, fLastBinCallForFinalXS);
295 304
296 value *= G4UniformRand(); 305 value *= G4UniformRand();
297 i = n; 306 i = n;
298 307
299 G4double partialXS; 308 G4double partialXS;
300 309
301 while (i > 0) 310 while (i > 0)
302 { 311 {
303 i--; 312 i--;
304 313
305 partialXS = (*fTableData)(i)->Value(k); 314 partialXS = (*fTableData)(i)->Value(k);
306 if (partialXS > value) 315 if (partialXS > value)
307 { 316 {
308 return (G4int)i; << 317 return i;
309 } 318 }
310 value -= partialXS; 319 value -= partialXS;
311 } 320 }
312 321
313 return 0; 322 return 0;
314 } 323 }
315 324
316 325