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25 // Authors: S. Meylan and C. Villagrasa (IRSN, 25 // Authors: S. Meylan and C. Villagrasa (IRSN, France)
26 // Models come from 26 // Models come from
27 // M. Bug et al, Rad. Phys and Chem. 130, 459- 27 // M. Bug et al, Rad. Phys and Chem. 130, 459-479 (2017)
28 28
29 #include "G4DNAPTBIonisationStructure.hh" 29 #include "G4DNAPTBIonisationStructure.hh"
30 #include "G4Material.hh" 30 #include "G4Material.hh"
31 #include "G4SystemOfUnits.hh" 31 #include "G4SystemOfUnits.hh"
32 32
33 G4DNAPTBIonisationStructure::G4DNAPTBIonisatio 33 G4DNAPTBIonisationStructure::G4DNAPTBIonisationStructure()
34 { 34 {
35 fpTHF = G4Material::GetMaterial("THF", false 35 fpTHF = G4Material::GetMaterial("THF", false);
36 fpPY = G4Material::GetMaterial("PY", false); 36 fpPY = G4Material::GetMaterial("PY", false);
37 fpPU = G4Material::GetMaterial("PU", false); 37 fpPU = G4Material::GetMaterial("PU", false);
38 fpTMP = G4Material::GetMaterial("TMP", false 38 fpTMP = G4Material::GetMaterial("TMP", false);
39 fpG4_WATER = G4Material::GetMaterial("G4_WAT 39 fpG4_WATER = G4Material::GetMaterial("G4_WATER", false);
40 fpBackbone_THF = G4Material::GetMaterial("ba 40 fpBackbone_THF = G4Material::GetMaterial("backbone_THF", false);
41 fpCytosine_PY = G4Material::GetMaterial("cyt 41 fpCytosine_PY = G4Material::GetMaterial("cytosine_PY", false);
42 fpThymine_PY = G4Material::GetMaterial("thym 42 fpThymine_PY = G4Material::GetMaterial("thymine_PY", false);
43 fpAdenine_PU = G4Material::GetMaterial("aden 43 fpAdenine_PU = G4Material::GetMaterial("adenine_PU", false);
44 fpBackbone_TMP = G4Material::GetMaterial("ba 44 fpBackbone_TMP = G4Material::GetMaterial("backbone_TMP", false);
45 fpGuanine_PU = G4Material::GetMaterial("guan 45 fpGuanine_PU = G4Material::GetMaterial("guanine_PU", false);
46 fpN2 = G4Material::GetMaterial("N2", false); 46 fpN2 = G4Material::GetMaterial("N2", false);
47 47
48 // MPietrzak 48 // MPietrzak
49 if (fpN2 != nullptr) { 49 if (fpN2 != nullptr) {
50 auto index = fpN2->GetIndex(); 50 auto index = fpN2->GetIndex();
51 energyConstant[index].push_back(15.58 * eV 51 energyConstant[index].push_back(15.58 * eV);
52 energyConstant[index].push_back(17.07 * eV 52 energyConstant[index].push_back(17.07 * eV);
53 energyConstant[index].push_back(21.00 * eV 53 energyConstant[index].push_back(21.00 * eV);
54 energyConstant[index].push_back(41.72 * eV 54 energyConstant[index].push_back(41.72 * eV);
55 energyConstant[index].push_back(409.9*eV); <<
56 } 55 }
57 56
58 // MPietrzak 57 // MPietrzak
59 if (fpG4_WATER != nullptr) { 58 if (fpG4_WATER != nullptr) {
60 auto index = fpG4_WATER->GetIndex(); 59 auto index = fpG4_WATER->GetIndex();
61 energyConstant[index].push_back(10.79 * eV 60 energyConstant[index].push_back(10.79 * eV);
62 energyConstant[index].push_back(13.39 * eV 61 energyConstant[index].push_back(13.39 * eV);
63 energyConstant[index].push_back(16.05 * eV 62 energyConstant[index].push_back(16.05 * eV);
64 energyConstant[index].push_back(32.30 * eV 63 energyConstant[index].push_back(32.30 * eV);
65 energyConstant[index].push_back(539.0 * eV 64 energyConstant[index].push_back(539.0 * eV);
66 } 65 }
67 if (fpTHF != nullptr) { 66 if (fpTHF != nullptr) {
68 auto index = fpTHF->GetIndex(); 67 auto index = fpTHF->GetIndex();
69 energyConstant[index].push_back(9.74 * eV) 68 energyConstant[index].push_back(9.74 * eV);
70 energyConstant[index].push_back(12.31 * eV 69 energyConstant[index].push_back(12.31 * eV);
71 energyConstant[index].push_back(12.99 * eV 70 energyConstant[index].push_back(12.99 * eV);
72 energyConstant[index].push_back(13.57 * eV 71 energyConstant[index].push_back(13.57 * eV);
73 energyConstant[index].push_back(13.60 * eV 72 energyConstant[index].push_back(13.60 * eV);
74 energyConstant[index].push_back(15.11 * eV 73 energyConstant[index].push_back(15.11 * eV);
75 energyConstant[index].push_back(15.97 * eV 74 energyConstant[index].push_back(15.97 * eV);
76 energyConstant[index].push_back(16.28 * eV 75 energyConstant[index].push_back(16.28 * eV);
77 energyConstant[index].push_back(18.19 * eV 76 energyConstant[index].push_back(18.19 * eV);
78 energyConstant[index].push_back(18.69 * eV 77 energyConstant[index].push_back(18.69 * eV);
79 energyConstant[index].push_back(22.14 * eV 78 energyConstant[index].push_back(22.14 * eV);
80 energyConstant[index].push_back(22.25 * eV 79 energyConstant[index].push_back(22.25 * eV);
81 energyConstant[index].push_back(27.21 * eV 80 energyConstant[index].push_back(27.21 * eV);
82 energyConstant[index].push_back(28.97 * eV 81 energyConstant[index].push_back(28.97 * eV);
83 energyConstant[index].push_back(36.97 * eV 82 energyConstant[index].push_back(36.97 * eV);
84 energyConstant[index].push_back(305.07 * e 83 energyConstant[index].push_back(305.07 * eV);
85 energyConstant[index].push_back(305.08 * e 84 energyConstant[index].push_back(305.08 * eV);
86 energyConstant[index].push_back(306.17 * e 85 energyConstant[index].push_back(306.17 * eV);
87 energyConstant[index].push_back(306.17 * e 86 energyConstant[index].push_back(306.17 * eV);
88 energyConstant[index].push_back(557.94 * e 87 energyConstant[index].push_back(557.94 * eV);
89 } 88 }
90 89
91 if (fpPY != nullptr) { 90 if (fpPY != nullptr) {
92 auto index = fpPY->GetIndex(); 91 auto index = fpPY->GetIndex();
93 energyConstant[index].push_back(9.73 * eV) 92 energyConstant[index].push_back(9.73 * eV);
94 energyConstant[index].push_back(10.96 * eV 93 energyConstant[index].push_back(10.96 * eV);
95 energyConstant[index].push_back(11.54 * eV 94 energyConstant[index].push_back(11.54 * eV);
96 energyConstant[index].push_back(12.58 * eV 95 energyConstant[index].push_back(12.58 * eV);
97 energyConstant[index].push_back(15.96 * eV 96 energyConstant[index].push_back(15.96 * eV);
98 energyConstant[index].push_back(16.27 * eV 97 energyConstant[index].push_back(16.27 * eV);
99 energyConstant[index].push_back(16.53 * eV 98 energyConstant[index].push_back(16.53 * eV);
100 energyConstant[index].push_back(17.98 * eV 99 energyConstant[index].push_back(17.98 * eV);
101 energyConstant[index].push_back(19.37 * eV 100 energyConstant[index].push_back(19.37 * eV);
102 energyConstant[index].push_back(20.52 * eV 101 energyConstant[index].push_back(20.52 * eV);
103 energyConstant[index].push_back(24.55 * eV 102 energyConstant[index].push_back(24.55 * eV);
104 energyConstant[index].push_back(24.64 * eV 103 energyConstant[index].push_back(24.64 * eV);
105 energyConstant[index].push_back(29.75 * eV 104 energyConstant[index].push_back(29.75 * eV);
106 energyConstant[index].push_back(33.02 * eV 105 energyConstant[index].push_back(33.02 * eV);
107 energyConstant[index].push_back(36.57 * eV 106 energyConstant[index].push_back(36.57 * eV);
108 energyConstant[index].push_back(305.92 * e 107 energyConstant[index].push_back(305.92 * eV);
109 energyConstant[index].push_back(307.09 * e 108 energyConstant[index].push_back(307.09 * eV);
110 energyConstant[index].push_back(307.09 * e 109 energyConstant[index].push_back(307.09 * eV);
111 energyConstant[index].push_back(307.52 * e 110 energyConstant[index].push_back(307.52 * eV);
112 energyConstant[index].push_back(423.44 * e 111 energyConstant[index].push_back(423.44 * eV);
113 energyConstant[index].push_back(423.44 * e 112 energyConstant[index].push_back(423.44 * eV);
114 } 113 }
115 114
116 if (fpPU != nullptr) { 115 if (fpPU != nullptr) {
117 auto index = fpPU->GetIndex(); 116 auto index = fpPU->GetIndex();
118 energyConstant[index].push_back(9.58 * eV) 117 energyConstant[index].push_back(9.58 * eV);
119 energyConstant[index].push_back(10.57 * eV 118 energyConstant[index].push_back(10.57 * eV);
120 energyConstant[index].push_back(10.97 * eV 119 energyConstant[index].push_back(10.97 * eV);
121 energyConstant[index].push_back(12.22 * eV 120 energyConstant[index].push_back(12.22 * eV);
122 energyConstant[index].push_back(12.92 * eV 121 energyConstant[index].push_back(12.92 * eV);
123 energyConstant[index].push_back(13.44 * eV 122 energyConstant[index].push_back(13.44 * eV);
124 energyConstant[index].push_back(15.05 * eV 123 energyConstant[index].push_back(15.05 * eV);
125 energyConstant[index].push_back(16.56 * eV 124 energyConstant[index].push_back(16.56 * eV);
126 energyConstant[index].push_back(17.18 * eV 125 energyConstant[index].push_back(17.18 * eV);
127 energyConstant[index].push_back(17.88 * eV 126 energyConstant[index].push_back(17.88 * eV);
128 energyConstant[index].push_back(17.90 * eV 127 energyConstant[index].push_back(17.90 * eV);
129 energyConstant[index].push_back(19.11 * eV 128 energyConstant[index].push_back(19.11 * eV);
130 energyConstant[index].push_back(20.09 * eV 129 energyConstant[index].push_back(20.09 * eV);
131 energyConstant[index].push_back(21.70 * eV 130 energyConstant[index].push_back(21.70 * eV);
132 energyConstant[index].push_back(23.52 * eV 131 energyConstant[index].push_back(23.52 * eV);
133 energyConstant[index].push_back(24.35 * eV 132 energyConstant[index].push_back(24.35 * eV);
134 energyConstant[index].push_back(25.41 * eV 133 energyConstant[index].push_back(25.41 * eV);
135 energyConstant[index].push_back(29.34 * eV 134 energyConstant[index].push_back(29.34 * eV);
136 energyConstant[index].push_back(32.44 * eV 135 energyConstant[index].push_back(32.44 * eV);
137 energyConstant[index].push_back(33.67 * eV 136 energyConstant[index].push_back(33.67 * eV);
138 energyConstant[index].push_back(36.26 * eV 137 energyConstant[index].push_back(36.26 * eV);
139 energyConstant[index].push_back(38.22 * eV 138 energyConstant[index].push_back(38.22 * eV);
140 energyConstant[index].push_back(306.53 * e 139 energyConstant[index].push_back(306.53 * eV);
141 energyConstant[index].push_back(307.19 * e 140 energyConstant[index].push_back(307.19 * eV);
142 energyConstant[index].push_back(307.64 * e 141 energyConstant[index].push_back(307.64 * eV);
143 energyConstant[index].push_back(308.14 * e 142 energyConstant[index].push_back(308.14 * eV);
144 energyConstant[index].push_back(308.17 * e 143 energyConstant[index].push_back(308.17 * eV);
145 energyConstant[index].push_back(423.31 * e 144 energyConstant[index].push_back(423.31 * eV);
146 energyConstant[index].push_back(423.43 * e 145 energyConstant[index].push_back(423.43 * eV);
147 energyConstant[index].push_back(423.64 * e 146 energyConstant[index].push_back(423.64 * eV);
148 energyConstant[index].push_back(423.98 * e 147 energyConstant[index].push_back(423.98 * eV);
149 } 148 }
150 149
151 if (fpTMP != nullptr) { 150 if (fpTMP != nullptr) {
152 auto index = fpTMP->GetIndex(); 151 auto index = fpTMP->GetIndex();
153 energyConstant[index].push_back(10.81 * eV 152 energyConstant[index].push_back(10.81 * eV);
154 energyConstant[index].push_back(10.81 * eV 153 energyConstant[index].push_back(10.81 * eV);
155 energyConstant[index].push_back(12.90 * eV 154 energyConstant[index].push_back(12.90 * eV);
156 energyConstant[index].push_back(13.32 * eV 155 energyConstant[index].push_back(13.32 * eV);
157 energyConstant[index].push_back(13.32 * eV 156 energyConstant[index].push_back(13.32 * eV);
158 energyConstant[index].push_back(13.59 * eV 157 energyConstant[index].push_back(13.59 * eV);
159 energyConstant[index].push_back(14.33 * eV 158 energyConstant[index].push_back(14.33 * eV);
160 energyConstant[index].push_back(14.33 * eV 159 energyConstant[index].push_back(14.33 * eV);
161 energyConstant[index].push_back(15.90 * eV 160 energyConstant[index].push_back(15.90 * eV);
162 energyConstant[index].push_back(17.09 * eV 161 energyConstant[index].push_back(17.09 * eV);
163 energyConstant[index].push_back(17.09 * eV 162 energyConstant[index].push_back(17.09 * eV);
164 energyConstant[index].push_back(17.13 * eV 163 energyConstant[index].push_back(17.13 * eV);
165 energyConstant[index].push_back(17.85 * eV 164 energyConstant[index].push_back(17.85 * eV);
166 energyConstant[index].push_back(17.85 * eV 165 energyConstant[index].push_back(17.85 * eV);
167 energyConstant[index].push_back(18.44 * eV 166 energyConstant[index].push_back(18.44 * eV);
168 energyConstant[index].push_back(19.37 * eV 167 energyConstant[index].push_back(19.37 * eV);
169 energyConstant[index].push_back(19.37 * eV 168 energyConstant[index].push_back(19.37 * eV);
170 energyConstant[index].push_back(21.40 * eV 169 energyConstant[index].push_back(21.40 * eV);
171 energyConstant[index].push_back(26.20 * eV 170 energyConstant[index].push_back(26.20 * eV);
172 energyConstant[index].push_back(26.20 * eV 171 energyConstant[index].push_back(26.20 * eV);
173 energyConstant[index].push_back(27.43 * eV 172 energyConstant[index].push_back(27.43 * eV);
174 energyConstant[index].push_back(35.23 * eV 173 energyConstant[index].push_back(35.23 * eV);
175 energyConstant[index].push_back(37.67 * eV 174 energyConstant[index].push_back(37.67 * eV);
176 energyConstant[index].push_back(37.67 * eV 175 energyConstant[index].push_back(37.67 * eV);
177 energyConstant[index].push_back(39.64 * eV 176 energyConstant[index].push_back(39.64 * eV);
178 energyConstant[index].push_back(152.42 * e 177 energyConstant[index].push_back(152.42 * eV);
179 energyConstant[index].push_back(152.42 * e 178 energyConstant[index].push_back(152.42 * eV);
180 energyConstant[index].push_back(152.44 * e 179 energyConstant[index].push_back(152.44 * eV);
181 energyConstant[index].push_back(209.59 * e 180 energyConstant[index].push_back(209.59 * eV);
182 energyConstant[index].push_back(306.92 * e 181 energyConstant[index].push_back(306.92 * eV);
183 energyConstant[index].push_back(306.92 * e 182 energyConstant[index].push_back(306.92 * eV);
184 energyConstant[index].push_back(306.92 * e 183 energyConstant[index].push_back(306.92 * eV);
185 energyConstant[index].push_back(557.34 * e 184 energyConstant[index].push_back(557.34 * eV);
186 energyConstant[index].push_back(559.40 * e 185 energyConstant[index].push_back(559.40 * eV);
187 energyConstant[index].push_back(559.40 * e 186 energyConstant[index].push_back(559.40 * eV);
188 energyConstant[index].push_back(559.41 * e 187 energyConstant[index].push_back(559.41 * eV);
189 energyConstant[index].push_back(2178.05 * 188 energyConstant[index].push_back(2178.05 * eV);
190 } 189 }
191 190
192 for (const auto& [index, levels] : energyCon 191 for (const auto& [index, levels] : energyConstant) {
193 nLevels[index] = (G4int)levels.size(); 192 nLevels[index] = (G4int)levels.size();
194 } 193 }
195 } 194 }
196 195
197 G4double G4DNAPTBIonisationStructure::Ionisati 196 G4double G4DNAPTBIonisationStructure::IonisationEnergy(G4int level, const size_t& materialID)
198 { 197 {
199 size_t matNameModif = ReplaceMaterial(materi 198 size_t matNameModif = ReplaceMaterial(materialID);
200 199
201 // check if the material exist in the map 200 // check if the material exist in the map
202 if (energyConstant.find(matNameModif) == ene 201 if (energyConstant.find(matNameModif) == energyConstant.end()) {
203 std::ostringstream oss; 202 std::ostringstream oss;
204 oss << "Material name was not found in ene 203 oss << "Material name was not found in energyConstantMap. Problematic material is: "
205 << materialID; 204 << materialID;
206 G4Exception( 205 G4Exception(
207 "G4DNAPTBIonisationStructure::Ionisation 206 "G4DNAPTBIonisationStructure::IonisationEnergy", "em0002", FatalException, oss.str().c_str());
208 } 207 }
209 208
210 G4double ionisation = 0.; 209 G4double ionisation = 0.;
211 210
212 if (level >= 0 && level < nLevels[matNameMod 211 if (level >= 0 && level < nLevels[matNameModif]) ionisation = energyConstant[matNameModif][level];
213 212
214 return ionisation; 213 return ionisation;
215 } 214 }
216 215
217 G4int G4DNAPTBIonisationStructure::NumberOfLev 216 G4int G4DNAPTBIonisationStructure::NumberOfLevels(const size_t& materialID)
218 { 217 {
219 auto matNameModif = ReplaceMaterial(material 218 auto matNameModif = ReplaceMaterial(materialID);
220 219
221 // check if the material exist in the map 220 // check if the material exist in the map
222 if (nLevels.find(matNameModif) == nLevels.en 221 if (nLevels.find(matNameModif) == nLevels.end()) {
223 std::ostringstream oss; 222 std::ostringstream oss;
224 oss << "Material name was not found in ene 223 oss << "Material name was not found in energyConstantMap. Problematic material is: "
225 << matNameModif; 224 << matNameModif;
226 G4Exception( 225 G4Exception(
227 "G4DNAPTBIonisationStructure::NumberOfLe 226 "G4DNAPTBIonisationStructure::NumberOfLevels", "em0002", FatalException, oss.str().c_str());
228 } 227 }
229 228
230 return nLevels[matNameModif]; 229 return nLevels[matNameModif];
231 } 230 }
232 231
233 size_t G4DNAPTBIonisationStructure::ReplaceMat 232 size_t G4DNAPTBIonisationStructure::ReplaceMaterial(const size_t& materialID)
234 { 233 {
235 if (fpBackbone_THF != nullptr && materialID 234 if (fpBackbone_THF != nullptr && materialID == fpBackbone_THF->GetIndex()) {
236 return fpTHF->GetIndex(); 235 return fpTHF->GetIndex();
237 } 236 }
238 if (fpBackbone_TMP != nullptr && materialID 237 if (fpBackbone_TMP != nullptr && materialID == fpBackbone_TMP->GetIndex()) {
239 return fpTMP->GetIndex(); 238 return fpTMP->GetIndex();
240 } 239 }
241 if (fpAdenine_PU != nullptr && materialID == 240 if (fpAdenine_PU != nullptr && materialID == fpAdenine_PU->GetIndex()) {
242 return fpPU->GetIndex(); 241 return fpPU->GetIndex();
243 } 242 }
244 if (fpGuanine_PU != nullptr && materialID == 243 if (fpGuanine_PU != nullptr && materialID == fpGuanine_PU->GetIndex()) {
245 return fpPU->GetIndex(); 244 return fpPU->GetIndex();
246 } 245 }
247 if (fpThymine_PY != nullptr && materialID == 246 if (fpThymine_PY != nullptr && materialID == fpThymine_PY->GetIndex()) {
248 return fpPY->GetIndex(); 247 return fpPY->GetIndex();
249 } 248 }
250 if (fpCytosine_PY != nullptr && materialID = 249 if (fpCytosine_PY != nullptr && materialID == fpCytosine_PY->GetIndex()) {
251 return fpPY->GetIndex(); 250 return fpPY->GetIndex();
252 } 251 }
253 return materialID; 252 return materialID;
254 } 253 }
255 254