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25 //
26 //
27
28 #include "G4DNABornExcitationModel2.hh"
29 #include "G4SystemOfUnits.hh"
30 #include "G4DNAChemistryManager.hh"
31 #include "G4DNAMolecularMaterial.hh"
32 #include "G4PhysicsTable.hh"
33 #include "G4PhysicsVector.hh"
34 #include "G4UnitsTable.hh"
35 #include <map>
36
37 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
38
39 using namespace std;
40
41 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
42
43 G4DNABornExcitationModel2::G4DNABornExcitationModel2(const G4ParticleDefinition*,
44 const G4String& nam) :
45 G4VEmModel(nam)
46 {
47 fpMolWaterDensity = nullptr;
48 fHighEnergy = 0;
49 fLowEnergy = 0;
50 fParticleDefinition = nullptr;
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 if (verboseLevel > 0)
61 {
62 G4cout << "Born excitation model is constructed " << G4endl;
63 }
64 fParticleChangeForGamma = nullptr;
65 fLastBinCallForFinalXS = 0;
66 fTotalXS = nullptr;
67 fTableData = nullptr;
68
69 // Selection of stationary mode
70
71 statCode = false;
72 }
73
74 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
75
76 G4DNABornExcitationModel2::~G4DNABornExcitationModel2()
77 {
78 // Cross section
79
80 delete fTableData;
81 }
82
83 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
84
85 void G4DNABornExcitationModel2::Initialise(const G4ParticleDefinition* particle,
86 const G4DataVector& /*cuts*/)
87 {
88
89 if (verboseLevel > 3)
90 {
91 G4cout << "Calling G4DNABornExcitationModel2::Initialise()" << G4endl;
92 }
93
94 if(fParticleDefinition != nullptr && fParticleDefinition != particle)
95 {
96 G4Exception("G4DNABornExcitationModel2::Initialise","em0001",
97 FatalException,"Model already initialized for another particle type.");
98 }
99
100 fParticleDefinition = particle;
101
102 std::ostringstream fullFileName;
103 const char* path = G4FindDataDir("G4LEDATA");
104
105 if(G4String(path).empty())
106 {
107 G4Exception("G4DNABornExcitationModel2::Initialise","G4LEDATA-CHECK",
108 FatalException, "G4LEDATA not defined in environment variables");
109 }
110
111 fullFileName << path;
112
113 if(particle->GetParticleName() == "e-")
114 {
115 fullFileName << "/dna/bornExcitation-e.dat";
116 fLowEnergy = 9*eV;
117 fHighEnergy = 1*MeV;
118 }
119 else if(particle->GetParticleName() == "proton")
120 {
121 fullFileName << "/dna/bornExcitation-p.dat";
122 fLowEnergy = 500. * keV;
123 fHighEnergy = 100. * MeV;
124 }
125
126 SetLowEnergyLimit(fLowEnergy);
127 SetHighEnergyLimit(fHighEnergy);
128
129 //G4double scaleFactor = (1.e-22 / 3.343) * m*m;
130
131 fTableData = new G4PhysicsTable();
132 fTableData->RetrievePhysicsTable(fullFileName.str().c_str(), true);
133 /*
134 for(std::size_t level = 0; level<fTableData->size(); ++level)
135 {
136 //(*fTableData)(level)->ScaleVector(1,scaleFactor);
137 }
138 */
139 std::size_t finalBin_i = 2000;
140 G4double E_min = fLowEnergy;
141 G4double E_max = fHighEnergy;
142 fTotalXS = new G4PhysicsLogVector(E_min, E_max, finalBin_i, true);
143 G4double energy;
144 G4double finalXS;
145
146 for(std::size_t energy_i = 0; energy_i < finalBin_i; ++energy_i)
147 {
148 energy = fTotalXS->Energy(energy_i);
149 finalXS = 0;
150
151 for(std::size_t level = 0; level<fTableData->size(); ++level)
152 {
153 finalXS += (*fTableData)(level)->Value(energy);
154 }
155 fTotalXS->PutValue(energy_i, finalXS);
156 //G4cout << "energy = " << energy << " " << fTotalXS->Value(energy)
157 // << " " << energy_i << " " << finalXS << G4endl;
158 }
159
160 // for(energy = LowEnergyLimit() ; energy < HighEnergyLimit() ; energy += 1*pow(10,log10(energy)))
161 // {
162 // G4cout << "energy = " << energy << " " << fTotalXS->Value(energy) << G4endl;
163 // }
164
165 if( verboseLevel>0 )
166 {
167 G4cout << "Born excitation model is initialized " << G4endl
168 << "Energy range: "
169 << LowEnergyLimit() / eV << " eV - "
170 << HighEnergyLimit() / keV << " keV for "
171 << particle->GetParticleName()
172 << G4endl;
173 }
174
175 // Initialize water density pointer
176 fpMolWaterDensity = G4DNAMolecularMaterial::Instance()->GetNumMolPerVolTableFor(G4Material::GetMaterial("G4_WATER"));
177
178 if (isInitialised)
179 { return;}
180 fParticleChangeForGamma = GetParticleChangeForGamma();
181 isInitialised = true;
182 }
183
184 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
185
186 G4double G4DNABornExcitationModel2::CrossSectionPerVolume(const G4Material* material,
187 const G4ParticleDefinition* particleDefinition,
188 G4double ekin,
189 G4double,
190 G4double)
191 {
192 if (verboseLevel > 3)
193 {
194 G4cout << "Calling CrossSectionPerVolume() of G4DNABornExcitationModel2"
195 << G4endl;
196 }
197
198 if(particleDefinition != fParticleDefinition) return 0;
199
200 // Calculate total cross section for model
201
202 G4double sigma=0;
203
204 G4double waterDensity = (*fpMolWaterDensity)[material->GetIndex()];
205
206 if (ekin >= fLowEnergy && ekin <= fHighEnergy)
207 {
208 sigma = fTotalXS->Value(ekin, fLastBinCallForFinalXS);
209
210 // for(std::size_t i = 0; i < 5; ++i)
211 // sigma += (*fTableData)[i]->Value(ekin);
212
213 if(sigma == 0)
214 {
215 G4cerr << "PROBLEM SIGMA = 0 at " << G4BestUnit(ekin, "Energy")<< G4endl;
216 }
217 }
218
219 if (verboseLevel > 2)
220 {
221 G4cout << "__________________________________" << G4endl;
222 G4cout << "G4DNABornExcitationModel2 - XS INFO START" << G4endl;
223 G4cout << "Kinetic energy(eV)=" << ekin/eV << " particle : " << particleDefinition->GetParticleName() << G4endl;
224 G4cout << "Cross section per water molecule (cm^2)=" << sigma/cm/cm << G4endl;
225 G4cout << "Cross section per water molecule (cm^-1)=" << sigma*waterDensity/(1./cm) << G4endl;
226 G4cout << "G4DNABornExcitationModel2 - XS INFO END" << G4endl;
227 }
228
229 return sigma*waterDensity;
230 }
231
232 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
233
234 void G4DNABornExcitationModel2::SampleSecondaries(std::vector<G4DynamicParticle*>* /*fvect*/,
235 const G4MaterialCutsCouple* /*couple*/,
236 const G4DynamicParticle* aDynamicParticle,
237 G4double,
238 G4double)
239 {
240
241 if (verboseLevel > 3)
242 {
243 G4cout << "Calling SampleSecondaries() of G4DNABornExcitationModel2"
244 << G4endl;
245 }
246
247 G4double k = aDynamicParticle->GetKineticEnergy();
248
249 G4int level = RandomSelect(k);
250 G4double excitationEnergy = waterStructure.ExcitationEnergy(level);
251 G4double newEnergy = k - excitationEnergy;
252
253 if (newEnergy > 0)
254 {
255 fParticleChangeForGamma->ProposeMomentumDirection(aDynamicParticle->GetMomentumDirection());
256
257 if (!statCode) fParticleChangeForGamma->SetProposedKineticEnergy(newEnergy);
258 else fParticleChangeForGamma->SetProposedKineticEnergy(k);
259
260 fParticleChangeForGamma->ProposeLocalEnergyDeposit(excitationEnergy);
261 }
262
263 const G4Track * theIncomingTrack = fParticleChangeForGamma->GetCurrentTrack();
264 G4DNAChemistryManager::Instance()->CreateWaterMolecule(eExcitedMolecule,
265 level,
266 theIncomingTrack);
267 }
268
269 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
270
271 G4double G4DNABornExcitationModel2::GetPartialCrossSection(const G4Material*,
272 G4int level,
273 const G4ParticleDefinition* particle,
274 G4double kineticEnergy)
275 {
276 if (fParticleDefinition != particle)
277 {
278 G4Exception("G4DNABornExcitationModel2::GetPartialCrossSection",
279 "bornParticleType",
280 FatalException,
281 "Model initialized for another particle type.");
282 }
283
284 return (*fTableData)(level)->Value(kineticEnergy);
285 }
286
287 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
288
289 G4int G4DNABornExcitationModel2::RandomSelect(G4double k)
290 {
291 const std::size_t n(fTableData->size());
292 std::size_t i(n);
293
294 G4double value = fTotalXS->Value(k, fLastBinCallForFinalXS);
295
296 value *= G4UniformRand();
297 i = n;
298
299 G4double partialXS;
300
301 while (i > 0)
302 {
303 i--;
304
305 partialXS = (*fTableData)(i)->Value(k);
306 if (partialXS > value)
307 {
308 return (G4int)i;
309 }
310 value -= partialXS;
311 }
312
313 return 0;
314 }
315
316