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25 // 25 //
26 // 26 //
27 27
28 // Created by Z. Francis 28 // Created by Z. Francis
29 29
30 #include "G4DNAMeltonAttachmentModel.hh" 30 #include "G4DNAMeltonAttachmentModel.hh"
31 #include "G4SystemOfUnits.hh" 31 #include "G4SystemOfUnits.hh"
32 #include "G4DNAChemistryManager.hh" 32 #include "G4DNAChemistryManager.hh"
33 #include "G4DNAMolecularMaterial.hh" 33 #include "G4DNAMolecularMaterial.hh"
34 34
35 //....oooOO0OOooo........oooOO0OOooo........oo 35 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
36 36
37 using namespace std; 37 using namespace std;
38 38
39 //#define MELTON_VERBOSE // prevent checking c 39 //#define MELTON_VERBOSE // prevent checking conditions at run time
40 40
41 //....oooOO0OOooo........oooOO0OOooo........oo 41 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
42 42
43 G4DNAMeltonAttachmentModel::G4DNAMeltonAttachm 43 G4DNAMeltonAttachmentModel::G4DNAMeltonAttachmentModel(const G4ParticleDefinition*,
44 44 const G4String& nam) :
45 G4VEmModel(nam) << 45 G4VEmModel(nam), isInitialised(false)
46 { 46 {
47 fpWaterDensity = nullptr; << 47 fpWaterDensity = 0;
48 48
49 SetLowEnergyLimit(4.*eV); 49 SetLowEnergyLimit(4.*eV);
50 SetHighEnergyLimit(13.*eV); 50 SetHighEnergyLimit(13.*eV);
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 #ifdef MELTON_VERBOSE 60 #ifdef MELTON_VERBOSE
61 if (verboseLevel > 0) 61 if (verboseLevel > 0)
62 { 62 {
63 G4cout << "Melton Attachment model is cons 63 G4cout << "Melton Attachment model is constructed "
64 << G4endl 64 << G4endl
65 << "Energy range: " 65 << "Energy range: "
66 << LowEnergyLimit() / eV << " eV - 66 << LowEnergyLimit() / eV << " eV - "
67 << HighEnergyLimit() / eV << " eV" 67 << HighEnergyLimit() / eV << " eV"
68 << G4endl; 68 << G4endl;
69 } 69 }
70 #endif 70 #endif
71 71
72 fParticleChangeForGamma = nullptr; << 72 fParticleChangeForGamma = 0;
73 fDissociationFlag = true; 73 fDissociationFlag = true;
74 fData = nullptr; << 74 fData = 0;
75 75
76 // Selection of stationary mode 76 // Selection of stationary mode
77 77
78 statCode = false; 78 statCode = false;
79 } 79 }
80 80
81 //....oooOO0OOooo........oooOO0OOooo........oo 81 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
82 82
83 G4DNAMeltonAttachmentModel::~G4DNAMeltonAttach 83 G4DNAMeltonAttachmentModel::~G4DNAMeltonAttachmentModel()
84 { 84 {
85 delete fData; << 85 if(fData) delete fData;
86 } 86 }
87 87
88 //....oooOO0OOooo........oooOO0OOooo........oo 88 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
89 89
90 void G4DNAMeltonAttachmentModel::Initialise(co 90 void G4DNAMeltonAttachmentModel::Initialise(const G4ParticleDefinition* particle,
91 co 91 const G4DataVector& /*cuts*/)
92 { 92 {
93 #ifdef MELTON_VERBOSE 93 #ifdef MELTON_VERBOSE
94 if (verboseLevel > 3) 94 if (verboseLevel > 3)
95 G4cout 95 G4cout
96 << "Calling G4DNAMeltonAttachmentModel:: 96 << "Calling G4DNAMeltonAttachmentModel::Initialise()" << G4endl;
97 #endif 97 #endif
98 98
99 // Only electron 99 // Only electron
100 100
101 if(particle->GetParticleName() != "e-") 101 if(particle->GetParticleName() != "e-")
102 { 102 {
103 G4Exception("G4DNAMeltonAttachmentModel::I 103 G4Exception("G4DNAMeltonAttachmentModel::Initialise",
104 "em0002", 104 "em0002",
105 FatalException, 105 FatalException,
106 "Model not applicable to parti 106 "Model not applicable to particle type.");
107 } 107 }
108 108
109 // Energy limits 109 // Energy limits
110 110
111 if (LowEnergyLimit() < 4.*eV) 111 if (LowEnergyLimit() < 4.*eV)
112 { 112 {
113 G4ExceptionDescription errMsg; 113 G4ExceptionDescription errMsg;
114 errMsg << "G4DNAMeltonAttachmentModel: low 114 errMsg << "G4DNAMeltonAttachmentModel: low energy limit increased from " <<
115 LowEnergyLimit()/eV << " eV to " << 4. << 115 LowEnergyLimit()/eV << " eV to " << 4. << " eV" << G4endl;
116 116
117 G4Exception("G4DNAMeltonAttachmentModel::I 117 G4Exception("G4DNAMeltonAttachmentModel::Initialise",
118 "Melton_LowerEBoundary", 118 "Melton_LowerEBoundary",
119 JustWarning, 119 JustWarning,
120 errMsg); 120 errMsg);
121 121
122 SetLowEnergyLimit(4*eV); 122 SetLowEnergyLimit(4*eV);
123 } 123 }
124 124
125 if (HighEnergyLimit() > 13.*eV) 125 if (HighEnergyLimit() > 13.*eV)
126 { 126 {
127 G4ExceptionDescription errMsg; 127 G4ExceptionDescription errMsg;
128 errMsg << "G4DNAMeltonAttachmentModel: hig 128 errMsg << "G4DNAMeltonAttachmentModel: high energy limit decreased from " <<
129 HighEnergyLimit()/eV << " eV to " << 13. < 129 HighEnergyLimit()/eV << " eV to " << 13. << " eV" << G4endl;
130 130
131 G4Exception("G4DNAMeltonAttachmentModel::I 131 G4Exception("G4DNAMeltonAttachmentModel::Initialise",
132 "Melton_HigherEBoundary", 132 "Melton_HigherEBoundary",
133 JustWarning, 133 JustWarning,
134 errMsg); 134 errMsg);
135 135
136 SetHighEnergyLimit(13.*eV); 136 SetHighEnergyLimit(13.*eV);
137 } 137 }
138 138
139 // Reading of data files 139 // Reading of data files
140 140
141 G4double scaleFactor = 1e-18*cm2; 141 G4double scaleFactor = 1e-18*cm2;
142 142
143 // For total cross section 143 // For total cross section
144 G4String fileElectron("dna/sigma_attachment_ 144 G4String fileElectron("dna/sigma_attachment_e_melton");
145 145
146 fData = new G4DNACrossSectionDataSet(new G4L 146 fData = new G4DNACrossSectionDataSet(new G4LogLogInterpolation(),
147 eV, sc 147 eV, scaleFactor);
148 fData->LoadData(fileElectron); 148 fData->LoadData(fileElectron);
149 149
150 150
151 #ifdef MELTON_VERBOSE 151 #ifdef MELTON_VERBOSE
152 if( verboseLevel >0) 152 if( verboseLevel >0)
153 { 153 {
154 if (verboseLevel > 2) 154 if (verboseLevel > 2)
155 { 155 {
156 G4cout << "Loaded cross section data for 156 G4cout << "Loaded cross section data for Melton Attachment model" << G4endl;
157 } 157 }
158 158
159 G4cout << "Melton Attachment model is init 159 G4cout << "Melton Attachment model is initialized " << G4endl
160 << "Energy range: " 160 << "Energy range: "
161 << LowEnergyLimit() / eV << " eV - " 161 << LowEnergyLimit() / eV << " eV - "
162 << HighEnergyLimit() / eV << " eV" 162 << HighEnergyLimit() / eV << " eV"
163 << G4endl; 163 << G4endl;
164 } 164 }
165 #endif 165 #endif
166 166
167 // Initialize water density pointer 167 // Initialize water density pointer
168 fpWaterDensity = G4DNAMolecularMaterial::Ins 168 fpWaterDensity = G4DNAMolecularMaterial::Instance()->
169 GetNumMolPerVolTableFor(G4Material::GetM 169 GetNumMolPerVolTableFor(G4Material::GetMaterial("G4_WATER"));
170 170
171 if (isInitialised) return; 171 if (isInitialised) return;
172 172
173 fParticleChangeForGamma = GetParticleChangeF 173 fParticleChangeForGamma = GetParticleChangeForGamma();
174 isInitialised = true; 174 isInitialised = true;
175 } 175 }
176 176
177 //....oooOO0OOooo........oooOO0OOooo........oo 177 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
178 178
179 G4double 179 G4double
180 G4DNAMeltonAttachmentModel::CrossSectionPerVol 180 G4DNAMeltonAttachmentModel::CrossSectionPerVolume(const G4Material* material,
181 181 const G4ParticleDefinition*,
182 182 G4double ekin,
183 183 G4double,
184 184 G4double)
185 { 185 {
186 #ifdef MELTON_VERBOSE 186 #ifdef MELTON_VERBOSE
187 if (verboseLevel > 3) 187 if (verboseLevel > 3)
188 G4cout 188 G4cout
189 << "Calling CrossSectionPerVolume() of G 189 << "Calling CrossSectionPerVolume() of G4DNAMeltonAttachmentModel"
190 << G4endl; 190 << G4endl;
191 #endif 191 #endif
192 192
193 // Calculate total cross section for model 193 // Calculate total cross section for model
194 194
195 G4double sigma = 0.; 195 G4double sigma = 0.;
196 196
197 G4double waterDensity = (*fpWaterDensity)[ma 197 G4double waterDensity = (*fpWaterDensity)[material->GetIndex()];
198 198
199 if (ekin >= LowEnergyLimit() && ekin <= High 199 if (ekin >= LowEnergyLimit() && ekin <= HighEnergyLimit())
200 sigma = fData->FindValue(ekin); 200 sigma = fData->FindValue(ekin);
201 201
202 #ifdef MELTON_VERBOSE 202 #ifdef MELTON_VERBOSE
203 if (verboseLevel > 2) 203 if (verboseLevel > 2)
204 { 204 {
205 G4cout << "_______________________________ 205 G4cout << "__________________________________" << G4endl;
206 G4cout << "=== G4DNAMeltonAttachmentModel 206 G4cout << "=== G4DNAMeltonAttachmentModel - XS INFO START" << G4endl;
207 G4cout << "--- Kinetic energy(eV)=" << eki 207 G4cout << "--- Kinetic energy(eV)=" << ekin/eV
208 << " particle : " << particleDefini 208 << " particle : " << particleDefinition->GetParticleName()
209 << G4endl; 209 << G4endl;
210 G4cout << "--- Cross section per water mol 210 G4cout << "--- Cross section per water molecule (cm^2)="
211 << sigma/cm/cm << G4endl; 211 << sigma/cm/cm << G4endl;
212 G4cout << "--- Cross section per water mol 212 G4cout << "--- Cross section per water molecule (cm^-1)="
213 << sigma*waterDensity/(1./cm) << G4 213 << sigma*waterDensity/(1./cm) << G4endl;
214 G4cout << "--- G4DNAMeltonAttachmentModel 214 G4cout << "--- G4DNAMeltonAttachmentModel - XS INFO END" << G4endl;
215 } 215 }
216 #endif 216 #endif
217 217
218 return sigma*waterDensity; 218 return sigma*waterDensity;
219 } 219 }
220 220
221 //....oooOO0OOooo........oooOO0OOooo........oo 221 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
222 222
223 void 223 void
224 G4DNAMeltonAttachmentModel:: 224 G4DNAMeltonAttachmentModel::
225 SampleSecondaries(std::vector<G4DynamicParticl 225 SampleSecondaries(std::vector<G4DynamicParticle*>* /*fvect*/,
226 const G4MaterialCutsCouple* 226 const G4MaterialCutsCouple* /*couple*/,
227 const G4DynamicParticle* aDy 227 const G4DynamicParticle* aDynamicElectron,
228 G4double, 228 G4double,
229 G4double) 229 G4double)
230 { 230 {
231 231
232 #ifdef MELTON_VERBOSE 232 #ifdef MELTON_VERBOSE
233 if (verboseLevel > 3) 233 if (verboseLevel > 3)
234 G4cout 234 G4cout
235 << "Calling SampleSecondaries() of G4DNAMe 235 << "Calling SampleSecondaries() of G4DNAMeltonAttachmentModel" << G4endl;
236 #endif 236 #endif
237 237
238 // Electron is killed 238 // Electron is killed
239 239
240 G4double electronEnergy0 = aDynamicElectron- 240 G4double electronEnergy0 = aDynamicElectron->GetKineticEnergy();
241 241
242 if (!statCode) 242 if (!statCode)
243 { 243 {
244 fParticleChangeForGamma->SetProposedKine 244 fParticleChangeForGamma->SetProposedKineticEnergy(0.);
245 fParticleChangeForGamma->ProposeTrackSta 245 fParticleChangeForGamma->ProposeTrackStatus(fStopAndKill);
246 fParticleChangeForGamma->ProposeLocalEne 246 fParticleChangeForGamma->ProposeLocalEnergyDeposit(electronEnergy0);
247 } 247 }
248 248
249 else 249 else
250 { 250 {
251 fParticleChangeForGamma->SetProposedKine 251 fParticleChangeForGamma->SetProposedKineticEnergy(electronEnergy0);
252 fParticleChangeForGamma->ProposeLocalEne 252 fParticleChangeForGamma->ProposeLocalEnergyDeposit(electronEnergy0);
253 } 253 }
254 254
255 if(fDissociationFlag) 255 if(fDissociationFlag)
256 { 256 {
257 G4DNAChemistryManager::Instance()-> 257 G4DNAChemistryManager::Instance()->
258 CreateWaterMolecule(eDissociativeAttachm 258 CreateWaterMolecule(eDissociativeAttachment,
259 -1, 259 -1,
260 fParticleChangeForGa 260 fParticleChangeForGamma->GetCurrentTrack());
261 } 261 }
262 return; 262 return;
263 } 263 }
264 264