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1 // 1
2 // *******************************************
3 // * License and Disclaimer
4 // *
5 // * The Geant4 software is copyright of th
6 // * the Geant4 Collaboration. It is provided
7 // * conditions of the Geant4 Software License
8 // * LICENSE and available at http://cern.ch/
9 // * include a list of copyright holders.
10 // *
11 // * Neither the authors of this software syst
12 // * institutes,nor the agencies providing fin
13 // * work make any representation or warran
14 // * regarding this software system or assum
15 // * use. Please see the license in the file
16 // * for the full disclaimer and the limitatio
17 // *
18 // * This code implementation is the result
19 // * technical work of the GEANT4 collaboratio
20 // * By using, copying, modifying or distri
21 // * any work based on the software) you ag
22 // * use in resulting scientific publicati
23 // * acceptance of all terms of the Geant4 Sof
24 // *******************************************
25 //
26 //
27 // -------------------------------------------
28 // GEANT 4 class implementation file
29 //
30 // 21 Oct 2009 first implementation by A.
31 // Based on prototype of A.Ma
32 // *******************************************
33
34 #include "G4MoleculeDefinition.hh"
35 #include "G4MolecularConfiguration.hh"
36 #include "G4MoleculeTable.hh"
37 #include "G4Serialize.hh"
38
39 using namespace std;
40
41 // -------------------------------------------
42 // ### MoleculeDefini
43 // -------------------------------------------
44
45 G4MoleculeDefinition::G4MoleculeDefinition(con
46 G4d
47 G4d
48 G4i
49 G4i
50 G4d
51 G4i
52 G4d
53 con
54 G4F
55 G4ParticleDefinition(name, mass, 0., charg
56 0, 0, ID, false, life
57 fDiffusionCoefficient(diffCoeff),
58 fAtomsNb(atomsNumber),
59 fVanDerVaalsRadius(radius)
60
61 {
62 fCharge = charge;
63 if(electronicLevels != 0)
64 {
65 fElectronOccupancy = new G4ElectronOccupan
66 }
67 else
68 {
69 fElectronOccupancy = nullptr;
70 }
71 fDecayTable = nullptr;
72 G4MoleculeTable::Instance()->Insert(this);
73 }
74
75 G4MoleculeDefinition* G4MoleculeDefinition::Lo
76 {
77 G4String name;
78 G4double mass;
79 G4double diffCoeff;
80 G4int charge;
81 G4int electronicLevels;
82 G4double radius;
83 G4int atomsNumber;
84 G4double lifetime;
85 G4String aType;
86
87 READ(in,name);
88 READ(in,mass);
89 READ(in,diffCoeff);
90 READ(in,charge);
91 READ(in,electronicLevels);
92 READ(in,radius);
93 READ(in,atomsNumber);
94 READ(in,lifetime);
95 READ(in,aType);
96
97 return new G4MoleculeDefinition(name,
98 mass,
99 diffCoeff,
100 charge,
101 electronicLe
102 radius,
103 atomsNumber,
104 lifetime,
105 aType);
106 }
107
108 void G4MoleculeDefinition::Serialize(std::ostr
109 {
110 WRITE(out,this->G4ParticleDefinition::GetPar
111 WRITE(out,this->G4ParticleDefinition::GetPDG
112 WRITE(out,this->G4ParticleDefinition::GetPDG
113 WRITE(out,this->G4ParticleDefinition::GetPar
114 WRITE(out,fDiffusionCoefficient);
115 WRITE(out,fCharge);
116 if(fElectronOccupancy != nullptr)
117 {
118 WRITE(out,fElectronOccupancy->GetSizeOfOrb
119 }
120 else
121 {
122 WRITE(out,(G4int) 0);
123 }
124 WRITE(out,fVanDerVaalsRadius);
125 WRITE(out,fAtomsNb);
126 }
127
128 //____________________________________________
129
130 G4MoleculeDefinition::~G4MoleculeDefinition()
131 {
132 if (fElectronOccupancy != nullptr)
133 {
134 delete fElectronOccupancy;
135 fElectronOccupancy = nullptr;
136 }
137 if (fDecayTable != nullptr)
138 {
139 delete fDecayTable;
140 fDecayTable = nullptr;
141 }
142 }
143
144 //____________________________________________
145
146 G4MolecularConfiguration*
147 G4MoleculeDefinition::NewConfiguration(const
148 {
149 bool alreadyExist(false);
150 return G4MolecularConfiguration::CreateMolec
151
152
153
154
155 }
156
157 //____________________________________________
158
159 G4MolecularConfiguration*
160 G4MoleculeDefinition::GetConfigurationWithLabe
161 {
162 return G4MolecularConfiguration::GetMolecula
163
164 }
165
166 //____________________________________________
167
168 G4MolecularConfiguration*
169 G4MoleculeDefinition::
170 NewConfigurationWithElectronOccupancy(const
171 const
172 G4doub
173 {
174 G4bool alreadyExist(false);
175 G4MolecularConfiguration* conf =
176 G4MolecularConfiguration::CreateMolecula
177
178
179
180
181
182
183 conf->SetDecayTime(decayTime);
184
185 return conf;
186 }
187
188 //____________________________________________
189
190 void G4MoleculeDefinition::SetLevelOccupation(
191 {
192 if(fElectronOccupancy != nullptr)
193 {
194 G4int levelOccupancy = fElectronOccupancy-
195
196 if(levelOccupancy != 0)
197 {
198
199 fElectronOccupancy->RemoveElectron(shell
200 }
201
202 fElectronOccupancy->AddElectron(shell, eNb
203 }
204 }
205
206 //____________________________________________
207
208 void G4MoleculeDefinition::AddDecayChannel(con
209 con
210 {
211 if(fDecayTable == nullptr)
212 {
213 fDecayTable = new G4MolecularDissociationT
214 }
215
216 fDecayTable->AddChannel(G4MolecularConfigura
217
218 channel);
219 }
220
221 //____________________________________________
222
223 void G4MoleculeDefinition::AddDecayChannel(con
224 con
225 {
226 if (fDecayTable == nullptr)
227 {
228 fDecayTable = new G4MolecularDissociationT
229 }
230 fDecayTable->AddChannel(molConf, channel);
231 }
232
233 //____________________________________________
234
235 const vector<const G4MolecularDissociationChan
236 G4MoleculeDefinition::GetDecayChannels(const G
237 {
238 if (fDecayTable != nullptr)
239 {
240 const vector<const G4MolecularDissociation
241 fDecayTable->GetDecayChannels(ExState)
242 return output;
243 }
244
245 G4ExceptionDescription errMsg;
246 errMsg << ": no Excited States and Decays f
247 << GetName()
248 << " are defined.";
249 G4Exception("G4MoleculeDefinition::GetDecayC
250 FatalErrorInArgument, errMsg);
251 return nullptr;
252 }
253
254 //____________________________________________
255
256 const vector<const G4MolecularDissociationChan
257 G4MoleculeDefinition::GetDecayChannels(const G
258 const
259 {
260 if(fDecayTable != nullptr)
261 {
262 const vector<const G4MolecularDissociation
263 fDecayTable->GetDecayChannels(conf);
264 return output;
265 }
266 // else
267 // {
268 // G4ExceptionDescription errMsg;
269 // errMsg << ": no Excited States and Decay
270 // << GetName()
271 // << " are defined.";
272 // G4Exception("G4MoleculeDefinition::GetDe
273 // "",
274 // FatalErrorInArgument,
275 // errMsg);
276 // }
277 return nullptr;
278 }
279
280 //____________________________________________
281
282 void G4MoleculeDefinition::Finalize()
283 {
284 G4MoleculeTable::Instance()->Finalize(this);
285 }
286
287 //____________________________________________
288
289
290