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25 // 25 //
>> 26 // $Id: G4DNAMeltonAttachmentModel.cc 98733 2016-08-09 10:51:58Z gcosmo $
26 // 27 //
27 28
28 // Created by Z. Francis 29 // Created by Z. Francis
29 30
30 #include "G4DNAMeltonAttachmentModel.hh" 31 #include "G4DNAMeltonAttachmentModel.hh"
31 #include "G4SystemOfUnits.hh" 32 #include "G4SystemOfUnits.hh"
32 #include "G4DNAChemistryManager.hh" 33 #include "G4DNAChemistryManager.hh"
33 #include "G4DNAMolecularMaterial.hh" 34 #include "G4DNAMolecularMaterial.hh"
34 35
35 //....oooOO0OOooo........oooOO0OOooo........oo 36 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
36 37
37 using namespace std; 38 using namespace std;
38 39
39 //#define MELTON_VERBOSE // prevent checking c 40 //#define MELTON_VERBOSE // prevent checking conditions at run time
40 41
41 //....oooOO0OOooo........oooOO0OOooo........oo 42 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
42 43
43 G4DNAMeltonAttachmentModel::G4DNAMeltonAttachm 44 G4DNAMeltonAttachmentModel::G4DNAMeltonAttachmentModel(const G4ParticleDefinition*,
44 45 const G4String& nam) :
45 G4VEmModel(nam) << 46 G4VEmModel(nam), isInitialised(false)
46 { 47 {
47 fpWaterDensity = nullptr; << 48 fpWaterDensity = 0;
48 49
49 SetLowEnergyLimit(4.*eV); 50 SetLowEnergyLimit(4.*eV);
50 SetHighEnergyLimit(13.*eV); 51 SetHighEnergyLimit(13.*eV);
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 #ifdef MELTON_VERBOSE 61 #ifdef MELTON_VERBOSE
61 if (verboseLevel > 0) 62 if (verboseLevel > 0)
62 { 63 {
63 G4cout << "Melton Attachment model is cons 64 G4cout << "Melton Attachment model is constructed "
64 << G4endl 65 << G4endl
65 << "Energy range: " 66 << "Energy range: "
66 << LowEnergyLimit() / eV << " eV - 67 << LowEnergyLimit() / eV << " eV - "
67 << HighEnergyLimit() / eV << " eV" 68 << HighEnergyLimit() / eV << " eV"
68 << G4endl; 69 << G4endl;
69 } 70 }
70 #endif 71 #endif
71 72
72 fParticleChangeForGamma = nullptr; << 73 fParticleChangeForGamma = 0;
73 fDissociationFlag = true; 74 fDissociationFlag = true;
74 fData = nullptr; << 75 fData = 0;
75 76
76 // Selection of stationary mode 77 // Selection of stationary mode
77 78
78 statCode = false; 79 statCode = false;
79 } 80 }
80 81
81 //....oooOO0OOooo........oooOO0OOooo........oo 82 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
82 83
83 G4DNAMeltonAttachmentModel::~G4DNAMeltonAttach 84 G4DNAMeltonAttachmentModel::~G4DNAMeltonAttachmentModel()
84 { 85 {
85 delete fData; << 86 if(fData) delete fData;
86 } 87 }
87 88
88 //....oooOO0OOooo........oooOO0OOooo........oo 89 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
89 90
90 void G4DNAMeltonAttachmentModel::Initialise(co 91 void G4DNAMeltonAttachmentModel::Initialise(const G4ParticleDefinition* particle,
91 co 92 const G4DataVector& /*cuts*/)
92 { 93 {
93 #ifdef MELTON_VERBOSE 94 #ifdef MELTON_VERBOSE
94 if (verboseLevel > 3) 95 if (verboseLevel > 3)
95 G4cout 96 G4cout
96 << "Calling G4DNAMeltonAttachmentModel:: 97 << "Calling G4DNAMeltonAttachmentModel::Initialise()" << G4endl;
97 #endif 98 #endif
98 99
99 // Only electron << 100 // ONLY ELECTRON
100 101
101 if(particle->GetParticleName() != "e-") 102 if(particle->GetParticleName() != "e-")
102 { 103 {
103 G4Exception("G4DNAMeltonAttachmentModel::I 104 G4Exception("G4DNAMeltonAttachmentModel::Initialise",
104 "em0002", 105 "em0002",
105 FatalException, 106 FatalException,
106 "Model not applicable to parti 107 "Model not applicable to particle type.");
107 } 108 }
108 109
109 // Energy limits 110 // Energy limits
110 111
111 if (LowEnergyLimit() < 4.*eV) 112 if (LowEnergyLimit() < 4.*eV)
112 { 113 {
113 G4ExceptionDescription errMsg; 114 G4ExceptionDescription errMsg;
114 errMsg << "G4DNAMeltonAttachmentModel: low 115 errMsg << "G4DNAMeltonAttachmentModel: low energy limit increased from " <<
115 LowEnergyLimit()/eV << " eV to " << 4. << 116 LowEnergyLimit()/eV << " eV to " << 4. << " eV" << G4endl;
116 117
117 G4Exception("G4DNAMeltonAttachmentModel::I 118 G4Exception("G4DNAMeltonAttachmentModel::Initialise",
118 "Melton_LowerEBoundary", 119 "Melton_LowerEBoundary",
119 JustWarning, 120 JustWarning,
120 errMsg); 121 errMsg);
121 122
122 SetLowEnergyLimit(4*eV); 123 SetLowEnergyLimit(4*eV);
123 } 124 }
124 125
125 if (HighEnergyLimit() > 13.*eV) 126 if (HighEnergyLimit() > 13.*eV)
126 { 127 {
127 G4ExceptionDescription errMsg; 128 G4ExceptionDescription errMsg;
128 errMsg << "G4DNAMeltonAttachmentModel: hig 129 errMsg << "G4DNAMeltonAttachmentModel: high energy limit decreased from " <<
129 HighEnergyLimit()/eV << " eV to " << 13. < 130 HighEnergyLimit()/eV << " eV to " << 13. << " eV" << G4endl;
130 131
131 G4Exception("G4DNAMeltonAttachmentModel::I 132 G4Exception("G4DNAMeltonAttachmentModel::Initialise",
132 "Melton_HigherEBoundary", 133 "Melton_HigherEBoundary",
133 JustWarning, 134 JustWarning,
134 errMsg); 135 errMsg);
135 136
136 SetHighEnergyLimit(13.*eV); 137 SetHighEnergyLimit(13.*eV);
137 } 138 }
138 139
139 // Reading of data files 140 // Reading of data files
140 141
141 G4double scaleFactor = 1e-18*cm2; 142 G4double scaleFactor = 1e-18*cm2;
142 143
143 // For total cross section 144 // For total cross section
144 G4String fileElectron("dna/sigma_attachment_ 145 G4String fileElectron("dna/sigma_attachment_e_melton");
145 146
146 fData = new G4DNACrossSectionDataSet(new G4L 147 fData = new G4DNACrossSectionDataSet(new G4LogLogInterpolation(),
147 eV, sc << 148 eV, scaleFactor);
148 fData->LoadData(fileElectron); 149 fData->LoadData(fileElectron);
149 150
150 151
151 #ifdef MELTON_VERBOSE 152 #ifdef MELTON_VERBOSE
152 if( verboseLevel >0) 153 if( verboseLevel >0)
153 { 154 {
154 if (verboseLevel > 2) 155 if (verboseLevel > 2)
155 { 156 {
156 G4cout << "Loaded cross section data for 157 G4cout << "Loaded cross section data for Melton Attachment model" << G4endl;
157 } 158 }
158 159
159 G4cout << "Melton Attachment model is init 160 G4cout << "Melton Attachment model is initialized " << G4endl
160 << "Energy range: " 161 << "Energy range: "
161 << LowEnergyLimit() / eV << " eV - " 162 << LowEnergyLimit() / eV << " eV - "
162 << HighEnergyLimit() / eV << " eV" 163 << HighEnergyLimit() / eV << " eV"
163 << G4endl; 164 << G4endl;
164 } 165 }
165 #endif 166 #endif
166 167
167 // Initialize water density pointer 168 // Initialize water density pointer
168 fpWaterDensity = G4DNAMolecularMaterial::Ins 169 fpWaterDensity = G4DNAMolecularMaterial::Instance()->
169 GetNumMolPerVolTableFor(G4Material::GetM 170 GetNumMolPerVolTableFor(G4Material::GetMaterial("G4_WATER"));
170 171
171 if (isInitialised) return; << 172 if (isInitialised)
172 << 173 {
>> 174 return;
>> 175 }
173 fParticleChangeForGamma = GetParticleChangeF 176 fParticleChangeForGamma = GetParticleChangeForGamma();
174 isInitialised = true; 177 isInitialised = true;
175 } 178 }
176 179
177 //....oooOO0OOooo........oooOO0OOooo........oo 180 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
178 181
179 G4double 182 G4double
180 G4DNAMeltonAttachmentModel::CrossSectionPerVol 183 G4DNAMeltonAttachmentModel::CrossSectionPerVolume(const G4Material* material,
181 184 const G4ParticleDefinition*,
182 185 G4double ekin,
183 186 G4double,
184 187 G4double)
185 { 188 {
186 #ifdef MELTON_VERBOSE 189 #ifdef MELTON_VERBOSE
187 if (verboseLevel > 3) 190 if (verboseLevel > 3)
188 G4cout 191 G4cout
189 << "Calling CrossSectionPerVolume() of G 192 << "Calling CrossSectionPerVolume() of G4DNAMeltonAttachmentModel"
190 << G4endl; 193 << G4endl;
191 #endif 194 #endif
192 195
193 // Calculate total cross section for model 196 // Calculate total cross section for model
194 197
195 G4double sigma = 0.; 198 G4double sigma = 0.;
196 199
197 G4double waterDensity = (*fpWaterDensity)[ma 200 G4double waterDensity = (*fpWaterDensity)[material->GetIndex()];
198 201
199 if (ekin >= LowEnergyLimit() && ekin <= High << 202 if(waterDensity != 0.0)
200 sigma = fData->FindValue(ekin); <<
201 <<
202 #ifdef MELTON_VERBOSE <<
203 if (verboseLevel > 2) <<
204 { 203 {
205 G4cout << "_______________________________ << 204 if (ekin >= LowEnergyLimit() && ekin < HighEnergyLimit())
206 G4cout << "=== G4DNAMeltonAttachmentModel << 205 // necessaire ?
207 G4cout << "--- Kinetic energy(eV)=" << eki << 206 {
208 << " particle : " << particleDefini << 207 sigma = fData->FindValue(ekin);
209 << G4endl; << 208 }
210 G4cout << "--- Cross section per water mol << 209
211 << sigma/cm/cm << G4endl; << 210 #ifdef MELTON_VERBOSE
212 G4cout << "--- Cross section per water mol << 211 if (verboseLevel > 2)
213 << sigma*waterDensity/(1./cm) << G4 << 212 {
214 G4cout << "--- G4DNAMeltonAttachmentModel << 213 G4cout << "__________________________________" << G4endl;
215 } << 214 G4cout << "=== G4DNAMeltonAttachmentModel - XS INFO START" << G4endl;
>> 215 G4cout << "--- Kinetic energy(eV)=" << ekin/eV
>> 216 << " particle : " << particleDefinition->GetParticleName()
>> 217 << G4endl;
>> 218 G4cout << "--- Cross section per water molecule (cm^2)="
>> 219 << sigma/cm/cm << G4endl;
>> 220 G4cout << "--- Cross section per water molecule (cm^-1)="
>> 221 << sigma*waterDensity/(1./cm) << G4endl;
>> 222 G4cout << "--- G4DNAMeltonAttachmentModel - XS INFO END" << G4endl;
>> 223 }
216 #endif 224 #endif
>> 225 } // if water
217 226
218 return sigma*waterDensity; 227 return sigma*waterDensity;
219 } 228 }
220 229
221 //....oooOO0OOooo........oooOO0OOooo........oo 230 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
222 231
223 void 232 void
224 G4DNAMeltonAttachmentModel:: 233 G4DNAMeltonAttachmentModel::
225 SampleSecondaries(std::vector<G4DynamicParticl 234 SampleSecondaries(std::vector<G4DynamicParticle*>* /*fvect*/,
226 const G4MaterialCutsCouple* 235 const G4MaterialCutsCouple* /*couple*/,
227 const G4DynamicParticle* aDy 236 const G4DynamicParticle* aDynamicElectron,
228 G4double, 237 G4double,
229 G4double) 238 G4double)
230 { 239 {
231 240
232 #ifdef MELTON_VERBOSE 241 #ifdef MELTON_VERBOSE
233 if (verboseLevel > 3) 242 if (verboseLevel > 3)
234 G4cout 243 G4cout
235 << "Calling SampleSecondaries() of G4DNAMe 244 << "Calling SampleSecondaries() of G4DNAMeltonAttachmentModel" << G4endl;
236 #endif 245 #endif
237 246
238 // Electron is killed 247 // Electron is killed
239 248
240 G4double electronEnergy0 = aDynamicElectron- 249 G4double electronEnergy0 = aDynamicElectron->GetKineticEnergy();
241 250
242 if (!statCode) 251 if (!statCode)
243 { 252 {
244 fParticleChangeForGamma->SetProposedKine 253 fParticleChangeForGamma->SetProposedKineticEnergy(0.);
245 fParticleChangeForGamma->ProposeTrackSta 254 fParticleChangeForGamma->ProposeTrackStatus(fStopAndKill);
246 fParticleChangeForGamma->ProposeLocalEne 255 fParticleChangeForGamma->ProposeLocalEnergyDeposit(electronEnergy0);
247 } 256 }
248 257
249 else 258 else
250 { 259 {
251 fParticleChangeForGamma->SetProposedKine 260 fParticleChangeForGamma->SetProposedKineticEnergy(electronEnergy0);
252 fParticleChangeForGamma->ProposeLocalEne 261 fParticleChangeForGamma->ProposeLocalEnergyDeposit(electronEnergy0);
253 } 262 }
254 263
255 if(fDissociationFlag) 264 if(fDissociationFlag)
256 { 265 {
257 G4DNAChemistryManager::Instance()-> 266 G4DNAChemistryManager::Instance()->
258 CreateWaterMolecule(eDissociativeAttachm 267 CreateWaterMolecule(eDissociativeAttachment,
259 -1, 268 -1,
260 fParticleChangeForGa 269 fParticleChangeForGamma->GetCurrentTrack());
261 } 270 }
262 return; 271 return;
263 } 272 }
264 273