| Geant4 Cross Reference |
1 //
2 // ********************************************************************
3 // * License and Disclaimer *
4 // * *
5 // * The Geant4 software is copyright of the Copyright Holders of *
6 // * the Geant4 Collaboration. It is provided under the terms and *
7 // * conditions of the Geant4 Software License, included in the file *
8 // * LICENSE and available at http://cern.ch/geant4/license . These *
9 // * include a list of copyright holders. *
10 // * *
11 // * Neither the authors of this software system, nor their employing *
12 // * institutes,nor the agencies providing financial support for this *
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 *
16 // * for the full disclaimer and the limitation of liability. *
17 // * *
18 // * This code implementation is the result of the scientific and *
19 // * technical work of the GEANT4 collaboration. *
20 // * By using, copying, modifying or distributing the software (or *
21 // * any work based on the software) you agree to acknowledge its *
22 // * use in resulting scientific publications, and indicate your *
23 // * acceptance of all terms of the Geant4 Software license. *
24 // ********************************************************************
25 //
26 //
27 // ----------------------------------------------------------------------
28 // GEANT 4 class implementation file
29 //
30 // 21 Oct 2009 first implementation by A. Mantero and M.Karamitros
31 // Based on prototype of A.Mantero
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 // ### MoleculeDefinition ###
43 // -----------------------------------------------------------------------------
44
45 G4MoleculeDefinition::G4MoleculeDefinition(const G4String& name,
46 G4double mass,
47 G4double diffCoeff,
48 G4int charge,
49 G4int electronicLevels,
50 G4double radius,
51 G4int atomsNumber,
52 G4double lifetime,
53 const G4String& aType,
54 G4FakeParticleID ID) :
55 G4ParticleDefinition(name, mass, 0., charge, 0, 0, 0, 0, 0, 0, "Molecule",
56 0, 0, ID, false, lifetime, nullptr, false, aType, 0, 0.0),
57 fDiffusionCoefficient(diffCoeff),
58 fAtomsNb(atomsNumber),
59 fVanDerVaalsRadius(radius)
60
61 {
62 fCharge = charge;
63 if(electronicLevels != 0)
64 {
65 fElectronOccupancy = new G4ElectronOccupancy(electronicLevels);
66 }
67 else
68 {
69 fElectronOccupancy = nullptr;
70 }
71 fDecayTable = nullptr;
72 G4MoleculeTable::Instance()->Insert(this);
73 }
74
75 G4MoleculeDefinition* G4MoleculeDefinition::Load(std::istream& in)
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 electronicLevels,
102 radius,
103 atomsNumber,
104 lifetime,
105 aType);
106 }
107
108 void G4MoleculeDefinition::Serialize(std::ostream& out)
109 {
110 WRITE(out,this->G4ParticleDefinition::GetParticleName());
111 WRITE(out,this->G4ParticleDefinition::GetPDGMass());
112 WRITE(out,this->G4ParticleDefinition::GetPDGLifeTime());
113 WRITE(out,this->G4ParticleDefinition::GetParticleType());
114 WRITE(out,fDiffusionCoefficient);
115 WRITE(out,fCharge);
116 if(fElectronOccupancy != nullptr)
117 {
118 WRITE(out,fElectronOccupancy->GetSizeOfOrbit());
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 G4String& molConfLabel)
148 {
149 bool alreadyExist(false);
150 return G4MolecularConfiguration::CreateMolecularConfiguration(GetName()+"_"+
151 molConfLabel,
152 this,
153 molConfLabel,
154 alreadyExist);
155 }
156
157 //___________________________________________________________________________
158
159 G4MolecularConfiguration*
160 G4MoleculeDefinition::GetConfigurationWithLabel(const G4String& molecularConfLabel)
161 {
162 return G4MolecularConfiguration::GetMolecularConfiguration(this,
163 molecularConfLabel);
164 }
165
166 //______________________________________________________________________________
167
168 G4MolecularConfiguration*
169 G4MoleculeDefinition::
170 NewConfigurationWithElectronOccupancy(const G4String& exStId,
171 const G4ElectronOccupancy& elecConf,
172 G4double decayTime)
173 {
174 G4bool alreadyExist(false);
175 G4MolecularConfiguration* conf =
176 G4MolecularConfiguration::CreateMolecularConfiguration(GetName()+"_"+
177 exStId,
178 this,
179 exStId,
180 elecConf,
181 alreadyExist);
182
183 conf->SetDecayTime(decayTime);
184
185 return conf;
186 }
187
188 //______________________________________________________________________________
189
190 void G4MoleculeDefinition::SetLevelOccupation(G4int shell, G4int eNb)
191 {
192 if(fElectronOccupancy != nullptr)
193 {
194 G4int levelOccupancy = fElectronOccupancy->GetOccupancy(shell);
195
196 if(levelOccupancy != 0)
197 {
198
199 fElectronOccupancy->RemoveElectron(shell, levelOccupancy);
200 }
201
202 fElectronOccupancy->AddElectron(shell, eNb);
203 }
204 }
205
206 //______________________________________________________________________________
207
208 void G4MoleculeDefinition::AddDecayChannel(const G4String& molecularConfLabel,
209 const G4MolecularDissociationChannel* channel)
210 {
211 if(fDecayTable == nullptr)
212 {
213 fDecayTable = new G4MolecularDissociationTable();
214 }
215
216 fDecayTable->AddChannel(G4MolecularConfiguration::GetMolecularConfiguration(this,
217 molecularConfLabel),
218 channel);
219 }
220
221 //______________________________________________________________________________
222
223 void G4MoleculeDefinition::AddDecayChannel(const G4MolecularConfiguration* molConf,
224 const G4MolecularDissociationChannel* channel)
225 {
226 if (fDecayTable == nullptr)
227 {
228 fDecayTable = new G4MolecularDissociationTable();
229 }
230 fDecayTable->AddChannel(molConf, channel);
231 }
232
233 //___________________________________________________________________________
234
235 const vector<const G4MolecularDissociationChannel*>*
236 G4MoleculeDefinition::GetDecayChannels(const G4String& ExState) const
237 {
238 if (fDecayTable != nullptr)
239 {
240 const vector<const G4MolecularDissociationChannel*>* output =
241 fDecayTable->GetDecayChannels(ExState);
242 return output;
243 }
244
245 G4ExceptionDescription errMsg;
246 errMsg << ": no Excited States and Decays for"
247 << GetName()
248 << " are defined.";
249 G4Exception("G4MoleculeDefinition::GetDecayChannels", "",
250 FatalErrorInArgument, errMsg);
251 return nullptr;
252 }
253
254 //___________________________________________________________________________
255
256 const vector<const G4MolecularDissociationChannel*>*
257 G4MoleculeDefinition::GetDecayChannels(const G4MolecularConfiguration* conf)
258 const
259 {
260 if(fDecayTable != nullptr)
261 {
262 const vector<const G4MolecularDissociationChannel*>* output =
263 fDecayTable->GetDecayChannels(conf);
264 return output;
265 }
266 // else
267 // {
268 // G4ExceptionDescription errMsg;
269 // errMsg << ": no Excited States and Decays for"
270 // << GetName()
271 // << " are defined.";
272 // G4Exception("G4MoleculeDefinition::GetDecayChannels",
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