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00036 #include "G4MolecularConfiguration.hh"
00037 #include "G4UIcommand.hh"
00038
00039 using namespace std;
00040
00041
00042
00043 G4MolecularConfiguration::G4MolecularConfigurationManager* G4MolecularConfiguration::fgManager = 0 ;
00044
00045 G4MolecularConfiguration::G4MolecularConfigurationManager*
00046 G4MolecularConfiguration::GetManager()
00047 {
00048 if(!fgManager)
00049 {
00050 fgManager = new G4MolecularConfiguration::G4MolecularConfigurationManager;
00051 }
00052
00053 return fgManager;
00054 }
00055
00056 G4MolecularConfiguration::G4MolecularConfigurationManager::~G4MolecularConfigurationManager()
00057 {
00058 G4MolecularConfigurationManager::MolecularConfigurationTable::iterator it1;
00059 std::map<G4ElectronOccupancy, G4MolecularConfiguration*, comparator>::iterator it2;
00060
00061 for(it1 = fTable.begin() ; it1 != fTable.end() ; it1++)
00062 {
00063 for(it2=it1->second.begin(); it2!=it1->second.end(); it2++)
00064 {
00065 if(it2->second)
00066 {
00067 delete it2->second;
00068 }
00069 }
00070 }
00071 }
00072
00073
00074
00075 G4MolecularConfiguration* G4MolecularConfiguration::GetMolecularConfiguration(const G4MoleculeDefinition* molDef)
00076 {
00077 const G4ElectronOccupancy& elecOcc = *molDef->GetGroundStateElectronOccupancy();
00078 if(GetManager()->fTable[molDef][elecOcc])
00079 {
00080 return GetManager()->fTable[molDef][elecOcc];
00081 }
00082 else
00083 {
00084 G4MolecularConfiguration* newConf = new G4MolecularConfiguration(molDef, elecOcc);
00085 return newConf ;
00086 }
00087 }
00088
00089 G4MolecularConfiguration* G4MolecularConfiguration::GetMolecularConfiguration(const G4MoleculeDefinition* molDef,
00090 const G4ElectronOccupancy& elecOcc )
00091 {
00092 if(GetManager()->fTable[molDef][elecOcc])
00093 {
00094 return GetManager()->fTable[molDef][elecOcc];
00095 }
00096 else
00097 {
00098 G4MolecularConfiguration* newConf = new G4MolecularConfiguration(molDef, elecOcc);
00099 return newConf ;
00100 }
00101 }
00102
00103 void G4MolecularConfiguration::DeleteManager()
00104 {
00105 if(fgManager) delete fgManager;
00106 fgManager = 0;
00107 }
00108
00109
00110
00111 G4MolecularConfiguration::G4MolecularConfiguration(const G4MoleculeDefinition* moleculeDef,
00112 const G4ElectronOccupancy& elecOcc)
00113 {
00114 fMoleculeDefinition = moleculeDef ;
00115 fgManager->fTable[fMoleculeDefinition][elecOcc] = this;
00116 std::map<G4ElectronOccupancy, G4MolecularConfiguration*, comparator>::iterator it ;
00117 it = fgManager->fTable[moleculeDef].find(elecOcc);
00118 fElectronOccupancy = &(it->first);
00119
00120 fDynCharge = fMoleculeDefinition->GetNbElectrons()-fElectronOccupancy->GetTotalOccupancy();
00121 fDynMass = fMoleculeDefinition->GetMass() ;
00122
00123 fDynDiffusionCoefficient = fMoleculeDefinition->GetDiffusionCoefficient() ;
00124 fDynVanDerVaalsRadius = fMoleculeDefinition->GetVanDerVaalsRadius() ;
00125 fDynDecayTime = fMoleculeDefinition->GetDecayTime() ;
00126 }
00127
00128 G4MolecularConfiguration::~G4MolecularConfiguration()
00129 {
00130 if(fElectronOccupancy)
00131 {
00132 delete fElectronOccupancy;
00133 fElectronOccupancy = 0;
00134 }
00135 }
00136
00137 G4MolecularConfiguration* G4MolecularConfiguration::ChangeConfiguration(const G4ElectronOccupancy& newElectronOccupancy)
00138 {
00139 G4MolecularConfiguration* output = fgManager->fTable[fMoleculeDefinition][newElectronOccupancy] ;
00140 if(! output)
00141 {
00142 output = new G4MolecularConfiguration(fMoleculeDefinition, newElectronOccupancy);
00143 }
00144 return output ;
00145 }
00146
00147 G4MolecularConfiguration& G4MolecularConfiguration::operator=(G4MolecularConfiguration& right)
00148 {
00149 if (&right==this) return *this;
00150 return *this;
00151 }
00152
00153
00156 G4MolecularConfiguration* G4MolecularConfiguration::ExciteMolecule(G4int ExcitedLevel)
00157 {
00158 G4ElectronOccupancy newElectronOccupancy (*fElectronOccupancy);
00159
00160 newElectronOccupancy.RemoveElectron(ExcitedLevel,1);
00161 newElectronOccupancy.AddElectron(5,1);
00162
00163 return ChangeConfiguration(newElectronOccupancy);
00164 }
00165
00168 G4MolecularConfiguration* G4MolecularConfiguration::IonizeMolecule(G4int IonizedLevel)
00169 {
00170 G4ElectronOccupancy newElectronOccupancy(*fElectronOccupancy);
00171
00172 if(newElectronOccupancy.GetOccupancy(IonizedLevel) != 0)
00173 {
00174 newElectronOccupancy.RemoveElectron(IonizedLevel,1);
00175 }
00176 else
00177 {
00178 G4String errMsg = "There is no electron on the orbit " + G4UIcommand::ConvertToString(IonizedLevel) +
00179 " you want to free. The molecule's name you want to ionized is "+ GetName();
00180 G4Exception("G4Molecule::IonizeMolecule","",FatalErrorInArgument, errMsg);
00181 PrintState();
00182 }
00183
00184
00185
00186 return ChangeConfiguration(newElectronOccupancy);
00187 }
00188
00189 G4MolecularConfiguration* G4MolecularConfiguration::AddElectron(G4int orbit, G4int number)
00190 {
00191 G4ElectronOccupancy newElectronOccupancy(*fElectronOccupancy);
00192 newElectronOccupancy.AddElectron(orbit, number);
00193 return ChangeConfiguration(newElectronOccupancy);
00194 }
00195
00196 G4MolecularConfiguration* G4MolecularConfiguration::RemoveElectron(G4int orbit,G4int number)
00197 {
00198 G4ElectronOccupancy newElectronOccupancy (*fElectronOccupancy);
00199
00200 if(newElectronOccupancy.GetOccupancy(orbit) != 0)
00201 {
00202 newElectronOccupancy.RemoveElectron(orbit, number );
00203 }
00204 else
00205 {
00206 G4String errMsg = "There is already no electron into the orbit " + G4UIcommand::ConvertToString(orbit) +
00207 " you want to free. The molecule's name is "+ GetName();
00208 G4Exception("G4Molecule::RemoveElectron","",JustWarning, errMsg);
00209 PrintState();
00210 }
00211
00212 return ChangeConfiguration(newElectronOccupancy);
00213 }
00214
00215 G4MolecularConfiguration* G4MolecularConfiguration::MoveOneElectron(G4int orbitToFree,G4int orbitToFill)
00216 {
00217 G4ElectronOccupancy newElectronOccupancy (*fElectronOccupancy);
00218
00219 if(newElectronOccupancy . GetOccupancy(orbitToFree)>=1)
00220 {
00221 newElectronOccupancy . RemoveElectron(orbitToFree,1);
00222 newElectronOccupancy . AddElectron(orbitToFill,1);
00223 }
00224 else
00225 {
00226 G4String errMsg = "There is no electron on the orbit " + G4UIcommand::ConvertToString(orbitToFree) +
00227 " you want to free. The molecule's name is "+ GetName();
00228 G4Exception("G4Molecule::MoveOneElectron","",FatalErrorInArgument, errMsg);
00229 PrintState();
00230 }
00231
00232 return ChangeConfiguration(newElectronOccupancy);
00233 }
00234
00235 const G4String& G4MolecularConfiguration::GetName() const
00236 {
00237 if(fName.isNull())
00238 {
00239 fName = fMoleculeDefinition->GetName();
00240 fName+= "^";
00241 fName+= "{";
00242 fName+= G4UIcommand::ConvertToString(fDynCharge);
00243 fName+= "}";
00244 }
00245 return fName;
00246 }
00247
00248 G4int G4MolecularConfiguration::GetAtomsNumber() const
00249 {
00250 return fMoleculeDefinition->GetAtomsNumber();
00251 }
00252
00253 G4double G4MolecularConfiguration::GetNbElectrons() const
00254 {
00255 return fElectronOccupancy->GetTotalOccupancy();
00256 }
00257
00258 void G4MolecularConfiguration::PrintState() const
00259 {
00260 G4cout<<"--------------Print electronic state of "<<GetName()<<"---------------"<<G4endl;
00261 fElectronOccupancy->DumpInfo();
00262 if(fElectronOccupancy==fMoleculeDefinition->GetGroundStateElectronOccupancy())
00263 {
00264 G4cout<<"At ground state"<<G4endl;
00265 }
00266 else
00267 {
00268 if(fMoleculeDefinition->GetDecayTable())
00269 G4cout<<"Transition :"<<(fMoleculeDefinition->GetDecayTable())->GetExcitedState(fElectronOccupancy)<<G4endl;
00270 }
00271 }
00272
00273
00274 const vector <const G4MolecularDecayChannel*>* G4MolecularConfiguration::GetDecayChannel() const
00275 {
00276 return fMoleculeDefinition-> GetDecayChannels(fElectronOccupancy);
00277 }
00278
00279 G4int G4MolecularConfiguration::GetMoleculeID() const
00280 {
00281 if(fMoleculeDefinition)
00282 return fMoleculeDefinition->GetPDGEncoding();
00283 else
00284 G4Exception("G4Molecule::GetMoleculeID","",FatalErrorInArgument, "You should first enter a molecule defintion");
00285
00286 return INT_MAX;
00287 }