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Geant4/processes/electromagnetic/dna/utils/src/G4DNACPA100ExcitationStructure.cc

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  1 //
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 10 // *                                                                  *
 11 // * Neither the authors of this software system, nor their employing *
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 13 // * work  make  any representation or  warranty, express or implied, *
 14 // * regarding  this  software system or assume any liability for its *
 15 // * use.  Please see the license in the file  LICENSE  and URL above *
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 17 // *                                                                  *
 18 // * This  code  implementation is the result of  the  scientific and *
 19 // * technical work of the GEANT4 collaboration.                      *
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 23 // * acceptance of all terms of the Geant4 Software license.          *
 24 // ********************************************************************
 25 //
 26 // Based on the work of M. Terrissol and M. C. Bordage
 27 //
 28 // Users are requested to cite the following papers:
 29 // - M. Terrissol, A. Baudre, Radiat. Prot. Dosim. 31 (1990) 175-177
 30 // - M.C. Bordage, J. Bordes, S. Edel, M. Terrissol, X. Franceries,
 31 //   M. Bardies, N. Lampe, S. Incerti, Phys. Med. 32 (2016) 1833-1840
 32 //
 33 // Authors of this class:
 34 // M.C. Bordage, M. Terrissol, S. Edel, J. Bordes, S. Incerti
 35 //
 36 // 15.01.2014: creation
 37 //
 38 //
 39 // Modified for Adenine material by S. Zein on 20.04.2021
 40 // Based on the study by S. Zein et. al. Nucl. Inst. Meth. B 488 (2021) 70-82
 41 
 42 #include "G4DNACPA100ExcitationStructure.hh"
 43 
 44 #include "G4Material.hh"
 45 #include "G4SystemOfUnits.hh"
 46 G4DNACPA100ExcitationStructure::G4DNACPA100ExcitationStructure()
 47 {
 48   fpGuanine = G4Material::GetMaterial("G4_GUANINE", false);
 49   fpG4_WATER = G4Material::GetMaterial("G4_WATER", false);
 50   fpDeoxyribose = G4Material::GetMaterial("G4_DEOXYRIBOSE", false);
 51   fpCytosine = G4Material::GetMaterial("G4_CYTOSINE", false);
 52   fpThymine = G4Material::GetMaterial("G4_THYMINE", false);
 53   fpAdenine = G4Material::GetMaterial("G4_ADENINE", false);
 54   fpPhosphate = G4Material::GetMaterial("G4_PHOSPHORIC_ACID", false);
 55 
 56   if (fpGuanine != nullptr) {
 57     InitialiseGuanine();
 58   }
 59 
 60   if (fpG4_WATER != nullptr) {
 61     InitialiseWater();
 62   }
 63 
 64   if (fpDeoxyribose != nullptr) {
 65     InitialiseDeoxyribose();
 66   }
 67 
 68   if (fpCytosine != nullptr) {
 69     InitialiseCytosine();
 70   }
 71 
 72   if (fpThymine != nullptr) {
 73     InitialiseThymine();
 74   }
 75 
 76   if (fpAdenine != nullptr) {
 77     InitialiseAdenine();
 78   }
 79 
 80   if (fpPhosphate != nullptr) {
 81     InitialisePhosphate();
 82   }
 83 }
 84 
 85 void G4DNACPA100ExcitationStructure::InitialiseGuanine()
 86 {
 87   auto index = fpGuanine->GetIndex();
 88   fEnergyConstant[index].push_back(8.2315 * eV);
 89   fEnergyConstant[index].push_back(11.0928 * eV);
 90   fEnergyConstant[index].push_back(11.5984 * eV);
 91   fEnergyConstant[index].push_back(11.7906 * eV);
 92   fEnergyConstant[index].push_back(11.9382 * eV);
 93   fEnergyConstant[index].push_back(12.4424 * eV);
 94   fEnergyConstant[index].push_back(13.3581 * eV);
 95   fEnergyConstant[index].push_back(15.1381 * eV);
 96   fEnergyConstant[index].push_back(16.4059 * eV);
 97   fEnergyConstant[index].push_back(16.496 * eV);
 98   fEnergyConstant[index].push_back(16.8457 * eV);
 99   fEnergyConstant[index].push_back(17.297 * eV);
100   fEnergyConstant[index].push_back(18.0608 * eV);
101   fEnergyConstant[index].push_back(18.441 * eV);
102   fEnergyConstant[index].push_back(19.2414 * eV);
103 
104   fnLevels[index] = fEnergyConstant[index].size();
105 }
106 void G4DNACPA100ExcitationStructure::InitialiseWater()
107 {
108   auto index = fpG4_WATER->GetIndex();
109   // The following values are extracted from the thesis of S. Edel,
110   // Paul Sabatier University, Toulouse, France, July 7, 2006
111   // Page 36
112   fEnergyConstant[index].push_back(8.17 * eV);
113   fEnergyConstant[index].push_back(10.13 * eV);
114   fEnergyConstant[index].push_back(11.31 * eV);
115   fEnergyConstant[index].push_back(12.91 * eV);
116   fEnergyConstant[index].push_back(14.50 * eV);
117 
118   fUConstant[index].push_back(61.91 * eV);
119   fUConstant[index].push_back(59.52 * eV);
120   fUConstant[index].push_back(48.36 * eV);
121   fUConstant[index].push_back(70.71 * eV);
122   fUConstant[index].push_back(796.2 * eV);
123 
124   fnLevels[index] = fEnergyConstant[index].size();
125 }
126 void G4DNACPA100ExcitationStructure::InitialiseDeoxyribose()
127 {
128   auto index = fpDeoxyribose->GetIndex();
129   fEnergyConstant[index].push_back(11.2410 * eV);
130   fEnergyConstant[index].push_back(11.7927 * eV);
131   fEnergyConstant[index].push_back(12.6579 * eV);
132   fEnergyConstant[index].push_back(12.8163 * eV);
133   fEnergyConstant[index].push_back(13.3238 * eV);
134   fEnergyConstant[index].push_back(13.9487 * eV);
135   fEnergyConstant[index].push_back(14.4374 * eV);
136   fEnergyConstant[index].push_back(14.7433 * eV);
137   fEnergyConstant[index].push_back(15.0818 * eV);
138   fEnergyConstant[index].push_back(15.6112 * eV);
139   fEnergyConstant[index].push_back(16.0547 * eV);
140   fEnergyConstant[index].push_back(16.8319 * eV);
141   fEnergyConstant[index].push_back(17.4294 * eV);
142   fEnergyConstant[index].push_back(18.0000 * eV);
143   fEnergyConstant[index].push_back(18.2696 * eV);
144   fEnergyConstant[index].push_back(18.6049 * eV);
145   fEnergyConstant[index].push_back(19.8378 * eV);
146 
147   fnLevels[index] = fEnergyConstant[index].size();
148 }
149 void G4DNACPA100ExcitationStructure::InitialiseCytosine()
150 {
151   auto index = fpCytosine->GetIndex();
152   // The following values are extracted from the thesis of S. Edel,
153   fEnergyConstant[index].push_back(9.3222 * eV);
154   fEnergyConstant[index].push_back(10.4601 * eV);
155   fEnergyConstant[index].push_back(11.3044 * eV);
156   fEnergyConstant[index].push_back(11.9986 * eV);
157   fEnergyConstant[index].push_back(13.4528 * eV);
158   fEnergyConstant[index].push_back(14.7371 * eV);
159   fEnergyConstant[index].push_back(16.2286 * eV);
160   fEnergyConstant[index].push_back(16.5877 * eV);
161   fEnergyConstant[index].push_back(17.0741 * eV);
162   fEnergyConstant[index].push_back(17.1875 * eV);
163   fEnergyConstant[index].push_back(18.638 * eV);
164   fEnergyConstant[index].push_back(19.6884 * eV);
165   fnLevels[index] = fEnergyConstant[index].size();
166 }
167 void G4DNACPA100ExcitationStructure::InitialiseThymine()
168 {
169   // The following values are extracted from the thesis of S. Edel,
170   auto index = fpThymine->GetIndex();
171 
172   fEnergyConstant[index].push_back(9.639 * eV);
173   fEnergyConstant[index].push_back(11.8278 * eV);
174   fEnergyConstant[index].push_back(12.0876 * eV);
175   fEnergyConstant[index].push_back(12.9656 * eV);
176   fEnergyConstant[index].push_back(13.9555 * eV);
177   fEnergyConstant[index].push_back(15.0774 * eV);
178   fEnergyConstant[index].push_back(15.4078 * eV);
179   fEnergyConstant[index].push_back(15.4689 * eV);
180   fEnergyConstant[index].push_back(16.1964 * eV);
181   fEnergyConstant[index].push_back(16.8955 * eV);
182   fEnergyConstant[index].push_back(17.5018 * eV);
183   fEnergyConstant[index].push_back(18.2979 * eV);
184   fEnergyConstant[index].push_back(18.4495 * eV);
185   fEnergyConstant[index].push_back(19.3186 * eV);
186   fnLevels[index] = fEnergyConstant[index].size();
187 }
188 void G4DNACPA100ExcitationStructure::InitialiseAdenine()
189 {
190   auto index = fpAdenine->GetIndex();
191   // The following values are extracted from the thesis of S. Edel,
192 
193   fEnergyConstant[index].push_back(8.5114 * eV);
194   fEnergyConstant[index].push_back(10.1294 * eV);
195   fEnergyConstant[index].push_back(11.0606 * eV);
196   fEnergyConstant[index].push_back(11.5849 * eV);
197   fEnergyConstant[index].push_back(12.1533 * eV);
198   fEnergyConstant[index].push_back(13.356 * eV);
199   fEnergyConstant[index].push_back(13.6554 * eV);
200   fEnergyConstant[index].push_back(15.3296 * eV);
201   fEnergyConstant[index].push_back(16.179 * eV);
202   fEnergyConstant[index].push_back(16.7676 * eV);
203   fEnergyConstant[index].push_back(17.3489 * eV);
204   fEnergyConstant[index].push_back(17.5568 * eV);
205   fEnergyConstant[index].push_back(18.554 * eV);
206   fEnergyConstant[index].push_back(19.0866 * eV);
207   fnLevels[index] = fEnergyConstant[index].size();
208 }
209 void G4DNACPA100ExcitationStructure::InitialisePhosphate()
210 {
211   // The following values are extracted from the thesis of S. Edel,
212   auto index = fpPhosphate->GetIndex();
213   fEnergyConstant[index].push_back(12.9963 * eV);
214   fEnergyConstant[index].push_back(12.9972 * eV);
215   fEnergyConstant[index].push_back(14.3109 * eV);
216   fEnergyConstant[index].push_back(15.2221 * eV);
217   fEnergyConstant[index].push_back(16.0591 * eV);
218   fEnergyConstant[index].push_back(16.0622 * eV);
219   fEnergyConstant[index].push_back(17.6365 * eV);
220   fEnergyConstant[index].push_back(17.6401 * eV);
221   fEnergyConstant[index].push_back(18.8803 * eV);
222   fnLevels[index] = fEnergyConstant[index].size();
223 }
224 
225 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
226 
227 G4double G4DNACPA100ExcitationStructure::ExcitationEnergy(const std::size_t& level,
228                                                           const std::size_t& MatID)
229 {
230   G4double ionisation = 0.;
231 
232   if (level < fnLevels[MatID]) {
233     ionisation = fEnergyConstant[MatID][level];
234   }
235   else {
236     std::ostringstream oss;
237     oss << " material was not found. ";
238     G4Exception("G4DNACPA100ExcitationStructure::ExcitationEnergy", "CPA001", FatalException,
239                 oss.str().c_str());
240   }
241 
242   return ionisation;
243 }
244 
245 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
246 
247 G4double G4DNACPA100ExcitationStructure::UEnergy(const std::size_t& level, const std::size_t& MatID)
248 {
249   G4double UEnergy = 0.;
250   if (level < fnLevels[MatID]) {
251     UEnergy = fUConstant[MatID][level];
252   }
253   else {
254     std::ostringstream oss;
255     oss << " material was not found. ";
256     G4Exception("G4DNACPA100ExcitationStructure::ExcitationEnergy", "CPA001", FatalException,
257                 oss.str().c_str());
258   }
259 
260   return UEnergy;
261 }
262