#include <G4MoleculeDefinition.hh>

Inheritance diagram for G4MoleculeDefinition:

Public Member Functions
	G4MoleculeDefinition (const G4String &name, G4double mass, G4double diffCoeff, G4int charge=0, G4int electronicLevels=0, G4double radius=-1, G4int atomsNumber=-1, G4double lifetime=-1, G4String aType="", G4FakeParticleID ID=G4FakeParticleID::Create())

	~G4MoleculeDefinition () override

	G4MoleculeDefinition (const G4MoleculeDefinition &)=delete

G4MoleculeDefinition &	operator= (const G4MoleculeDefinition &)=delete

void	SetLevelOccupation (G4int, G4int eNb=2)

void	SetDiffusionCoefficient (G4double)

G4double	GetDiffusionCoefficient () const

void	SetAtomsNumber (G4int)

G4int	GetAtomsNumber () const

void	SetVanDerVaalsRadius (G4double)

G4double	GetVanDerVaalsRadius () const

G4MolecularConfiguration *	NewConfiguration (const G4String &excitedStateLabel)

G4MolecularConfiguration *	NewConfigurationWithElectronOccupancy (const G4String &excitedStateLabel, const G4ElectronOccupancy &, double decayTime=0.)

G4MolecularConfiguration *	GetConfigurationWithLabel (const G4String &molecularConfLabel)

void	AddDecayChannel (const G4MolecularConfiguration molConf, const G4MolecularDissociationChannel channel)

void	AddDecayChannel (const G4String &molecularConfLabel, const G4MolecularDissociationChannel *channel)

const std::vector< const G4MolecularDissociationChannel * > *	GetDecayChannels (const G4MolecularConfiguration *) const

const std::vector< const G4MolecularDissociationChannel * > *	GetDecayChannels (const G4String &) const

const G4MolecularDissociationTable *	GetDecayTable () const

G4MolecularDissociationTable *	GetDecayTable ()

G4double	GetDecayTime () const

const G4ElectronOccupancy *	GetGroundStateElectronOccupancy () const

G4int	GetCharge () const

const G4String &	GetName () const

G4double	GetMass () const

const G4String &	GetType () const

G4int	GetNbElectrons () const

G4int	GetNbMolecularShells () const

const G4String &	GetFormatedName () const

void	SetFormatedName (const G4String &name)

void	Finalize ()

void	Serialize (std::ostream &)

Public Member Functions inherited from G4ParticleDefinition
	G4ParticleDefinition (const G4String &aName, G4double mass, G4double width, G4double charge, G4int iSpin, G4int iParity, G4int iConjugation, G4int iIsospin, G4int iIsospinZ, G4int gParity, const G4String &pType, G4int lepton, G4int baryon, G4int encoding, G4bool stable, G4double lifetime, G4DecayTable *decaytable, G4bool shortlived=false, const G4String &subType="", G4int anti_encoding=0, G4double magneticMoment=0.0)

virtual	~G4ParticleDefinition ()

	G4ParticleDefinition (const G4ParticleDefinition &)=delete

G4ParticleDefinition &	operator= (const G4ParticleDefinition &)=delete

G4bool	operator== (const G4ParticleDefinition &right) const

G4bool	operator!= (const G4ParticleDefinition &right) const

const G4String &	GetParticleName () const

G4double	GetPDGMass () const

G4double	GetPDGWidth () const

G4double	GetPDGCharge () const

G4double	GetPDGSpin () const

G4int	GetPDGiSpin () const

G4int	GetPDGiParity () const

G4int	GetPDGiConjugation () const

G4double	GetPDGIsospin () const

G4double	GetPDGIsospin3 () const

G4int	GetPDGiIsospin () const

G4int	GetPDGiIsospin3 () const

G4int	GetPDGiGParity () const

G4double	GetPDGMagneticMoment () const

void	SetPDGMagneticMoment (G4double mageticMoment)

G4double	CalculateAnomaly () const

const G4String &	GetParticleType () const

const G4String &	GetParticleSubType () const

G4int	GetLeptonNumber () const

G4int	GetBaryonNumber () const

G4int	GetPDGEncoding () const

G4int	GetAntiPDGEncoding () const

void	SetAntiPDGEncoding (G4int aEncoding)

G4int	GetQuarkContent (G4int flavor) const

G4int	GetAntiQuarkContent (G4int flavor) const

G4bool	IsShortLived () const

G4bool	GetPDGStable () const

void	SetPDGStable (const G4bool aFlag)

G4double	GetPDGLifeTime () const

void	SetPDGLifeTime (G4double aLifeTime)

G4double	GetIonLifeTime () const

G4DecayTable *	GetDecayTable () const

void	SetDecayTable (G4DecayTable *aDecayTable)

G4ProcessManager *	GetProcessManager () const

void	SetProcessManager (G4ProcessManager *aProcessManager)

G4VTrackingManager *	GetTrackingManager () const

void	SetTrackingManager (G4VTrackingManager *aTrackingManager)

G4ParticleTable *	GetParticleTable () const

G4int	GetAtomicNumber () const

G4int	GetAtomicMass () const

void	DumpTable () const

void	SetVerboseLevel (G4int value)

G4int	GetVerboseLevel () const

void	SetApplyCutsFlag (G4bool)

G4bool	GetApplyCutsFlag () const

G4bool	IsGeneralIon () const

G4bool	IsMuonicAtom () const

G4ProcessManager *	GetMasterProcessManager () const

void	SetMasterProcessManager (G4ProcessManager *aNewPM)

G4int	GetInstanceID () const

void	SetParticleDefinitionID (G4int id=-1)

G4int	GetParticleDefinitionID () const

G4bool	IsHypernucleus () const

G4int	GetNumberOfLambdasInHypernucleus () const

G4bool	IsAntiHypernucleus () const

G4int	GetNumberOfAntiLambdasInAntiHypernucleus () const

Static Public Member Functions
static G4MoleculeDefinition *	Load (std::istream &)

Static Public Member Functions inherited from G4ParticleDefinition
static const G4PDefManager &	GetSubInstanceManager ()

static void	Clean ()

Protected Member Functions
	G4MoleculeDefinition ()

Protected Member Functions inherited from G4ParticleDefinition
	G4ParticleDefinition ()

G4int	FillQuarkContents ()

void	SetParticleSubType (const G4String &subtype)

void	SetAtomicNumber (G4int)

void	SetAtomicMass (G4int)

Additional Inherited Members
Protected Types inherited from G4ParticleDefinition
enum	{ NumberOfQuarkFlavor = 6 }

Protected Attributes inherited from G4ParticleDefinition
G4int	theQuarkContent [NumberOfQuarkFlavor]

G4int	theAntiQuarkContent [NumberOfQuarkFlavor]

G4bool	isGeneralIon = false

G4bool	isMuonicAtom = false

Detailed Description

Definition at line 76 of file G4MoleculeDefinition.hh.

Constructor & Destructor Documentation

◆ G4MoleculeDefinition() [1/3]

G4MoleculeDefinition::G4MoleculeDefinition	(	const G4String &	name,
		G4double	mass,
		G4double	diffCoeff,
		G4int	charge = 0,
		G4int	electronicLevels = 0,
		G4double	radius = -1,
		G4int	atomsNumber = -1,
		G4double	lifetime = -1,
		G4String	aType = "",
		G4FakeParticleID	ID = G4FakeParticleID::Create() )

Definition at line 45 of file G4MoleculeDefinition.cc.

                                                                :
    G4ParticleDefinition(name, mass, 0., charge, 0, 0, 0, 0, 0, 0, "Molecule",
                         0, 0, ID, false, lifetime, nullptr, false, aType, 0, 0.0),
    fDiffusionCoefficient(diffCoeff),
    fAtomsNb(atomsNumber),
    fVanDerVaalsRadius(radius)
 
{
  fCharge = charge;
  if(electronicLevels != 0)
  {
    fElectronOccupancy = new G4ElectronOccupancy(electronicLevels);
  }
  else
  {
    fElectronOccupancy = nullptr;
  }
  fDecayTable = nullptr;
  G4MoleculeTable::Instance()->Insert(this);
}

◆ ~G4MoleculeDefinition()

G4MoleculeDefinition::~G4MoleculeDefinition ( )

override

Definition at line 130 of file G4MoleculeDefinition.cc.

{
  if (fElectronOccupancy != nullptr)
  {
    delete fElectronOccupancy;
    fElectronOccupancy = nullptr;
  }
  if (fDecayTable != nullptr)
  {
    delete fDecayTable;
    fDecayTable = nullptr;
  }
}

◆ G4MoleculeDefinition() [2/3]

G4MoleculeDefinition::G4MoleculeDefinition ( const G4MoleculeDefinition & )

delete

◆ G4MoleculeDefinition() [3/3]

Member Function Documentation

◆ AddDecayChannel() [1/2]

void G4MoleculeDefinition::AddDecayChannel	(	const G4MolecularConfiguration *	molConf,
		const G4MolecularDissociationChannel *	channel )

Definition at line 223 of file G4MoleculeDefinition.cc.

{
  if (fDecayTable == nullptr)
  {
    fDecayTable = new G4MolecularDissociationTable();
  }
  fDecayTable->AddChannel(molConf, channel);
}

Referenced by G4ChemDissociationChannels::ConstructDissociationChannels(), and G4ChemDissociationChannels_option1::ConstructDissociationChannels().

◆ AddDecayChannel() [2/2]

void G4MoleculeDefinition::AddDecayChannel	(	const G4String &	molecularConfLabel,
		const G4MolecularDissociationChannel *	channel )

Definition at line 208 of file G4MoleculeDefinition.cc.

{
  if(fDecayTable == nullptr)
  {
    fDecayTable = new G4MolecularDissociationTable();
  }
 
  fDecayTable->AddChannel(G4MolecularConfiguration::GetMolecularConfiguration(this,
                                                                              molecularConfLabel),
                          channel);
}

◆ Finalize()

void G4MoleculeDefinition::Finalize ( )

Definition at line 282 of file G4MoleculeDefinition.cc.

{
  G4MoleculeTable::Instance()->Finalize(this);
}

◆ GetAtomsNumber()

G4int G4MoleculeDefinition::GetAtomsNumber ( ) const

inline

Definition at line 225 of file G4MoleculeDefinition.hh.

{
  return fAtomsNb;
}

Referenced by G4MolecularConfiguration::GetAtomsNumber().

◆ GetCharge()

G4int G4MoleculeDefinition::GetCharge ( ) const

inline

Definition at line 210 of file G4MoleculeDefinition.hh.

{
  return fCharge;
}

Referenced by G4MolecularConfiguration::CreateMolecularConfiguration(), G4MolecularConfiguration::CreateMolecularConfiguration(), G4MolecularConfiguration::G4MolecularConfiguration(), and G4MolecularConfiguration::GetOrCreateMolecularConfiguration().

◆ GetConfigurationWithLabel()

G4MolecularConfiguration * G4MoleculeDefinition::GetConfigurationWithLabel ( const G4String & molecularConfLabel )

Definition at line 160 of file G4MoleculeDefinition.cc.

{
  return G4MolecularConfiguration::GetMolecularConfiguration(this,
                                                             molecularConfLabel);
}

◆ GetDecayChannels() [1/2]

const vector< const G4MolecularDissociationChannel * > * G4MoleculeDefinition::GetDecayChannels ( const G4MolecularConfiguration * conf ) const

Definition at line 257 of file G4MoleculeDefinition.cc.

{
  if(fDecayTable != nullptr)
  {
    const vector<const G4MolecularDissociationChannel*>* output =
        fDecayTable->GetDecayChannels(conf);
    return output;
  }
//  else
//  {
//    G4ExceptionDescription errMsg;
//    errMsg << ": no Excited States and Decays for"
//           << GetName()
//           << " are defined.";
//    G4Exception("G4MoleculeDefinition::GetDecayChannels",
//                "",
//                FatalErrorInArgument,
//                errMsg);
//  }
  return nullptr;
}

Referenced by G4MolecularConfiguration::GetDissociationChannels().

◆ GetDecayChannels() [2/2]

const vector< const G4MolecularDissociationChannel * > * G4MoleculeDefinition::GetDecayChannels ( const G4String & ExState ) const

Definition at line 236 of file G4MoleculeDefinition.cc.

{
  if (fDecayTable != nullptr)
  {
    const vector<const G4MolecularDissociationChannel*>* output =
        fDecayTable->GetDecayChannels(ExState);
    return output;
  }
  
  G4ExceptionDescription errMsg;
  errMsg <<  ": no Excited States and Decays for"
         << GetName()
         << " are defined.";
  G4Exception("G4MoleculeDefinition::GetDecayChannels", "",
              FatalErrorInArgument, errMsg);
  return nullptr;
}

◆ GetDecayTable() [1/2]

G4MolecularDissociationTable * G4MoleculeDefinition::GetDecayTable ( )

inline

Definition at line 287 of file G4MoleculeDefinition.hh.

{
  return fDecayTable;
}

◆ GetDecayTable() [2/2]

const G4MolecularDissociationTable * G4MoleculeDefinition::GetDecayTable ( ) const

inline

Definition at line 282 of file G4MoleculeDefinition.hh.

{
  return fDecayTable;
}

◆ GetDecayTime()

G4double G4MoleculeDefinition::GetDecayTime ( ) const

inline

Definition at line 215 of file G4MoleculeDefinition.hh.

{
  return GetPDGLifeTime();
}

Referenced by G4MolecularConfiguration::G4MolecularConfiguration(), G4MolecularConfiguration::G4MolecularConfiguration(), and G4MolecularConfiguration::G4MolecularConfiguration().

◆ GetDiffusionCoefficient()

G4double G4MoleculeDefinition::GetDiffusionCoefficient ( ) const

inline

Definition at line 205 of file G4MoleculeDefinition.hh.

{
  return fDiffusionCoefficient;
}

Referenced by G4MolecularConfiguration::G4MolecularConfiguration(), G4MolecularConfiguration::G4MolecularConfiguration(), and G4MolecularConfiguration::G4MolecularConfiguration().

◆ GetFormatedName()

const G4String & G4MoleculeDefinition::GetFormatedName ( ) const

inline

Definition at line 162 of file G4MoleculeDefinition.hh.

  {
    return fFormatedName;
  }

Referenced by G4MolecularConfiguration::G4MolecularConfiguration(), G4MolecularConfiguration::G4MolecularConfiguration(), and G4MolecularConfiguration::G4MolecularConfiguration().

◆ GetGroundStateElectronOccupancy()

const G4ElectronOccupancy * G4MoleculeDefinition::GetGroundStateElectronOccupancy ( ) const

inline

Definition at line 240 of file G4MoleculeDefinition.hh.

{
  return fElectronOccupancy;
}

Referenced by G4ChemDissociationChannels::ConstructDissociationChannels(), G4ChemDissociationChannels_option1::ConstructDissociationChannels(), G4MolecularConfiguration::CreateMolecularConfiguration(), G4Molecule::G4Molecule(), G4Molecule::G4Molecule(), G4MolecularConfiguration::GetOrCreateMolecularConfiguration(), and G4MolecularConfiguration::PrintState().

◆ GetMass()

G4double G4MoleculeDefinition::GetMass ( ) const

inline

Definition at line 251 of file G4MoleculeDefinition.hh.

{
  return GetPDGMass();
}

Referenced by G4MolecularConfiguration::G4MolecularConfiguration(), G4MolecularConfiguration::G4MolecularConfiguration(), and G4MolecularConfiguration::G4MolecularConfiguration().

◆ GetName()

const G4String & G4MoleculeDefinition::GetName ( ) const

inline

Definition at line 245 of file G4MoleculeDefinition.hh.

{
 
  return GetParticleName();
}

◆ GetNbElectrons()

G4int G4MoleculeDefinition::GetNbElectrons ( ) const

inline

Definition at line 261 of file G4MoleculeDefinition.hh.

{
  if (fElectronOccupancy != nullptr)
  {
    return fElectronOccupancy->GetTotalOccupancy();
  }
 
  return 0;
  //    return fNbOfElectrons;
}

Referenced by G4MolecularConfiguration::G4MolecularConfiguration().

◆ GetNbMolecularShells()

G4int G4MoleculeDefinition::GetNbMolecularShells ( ) const

inline

Definition at line 272 of file G4MoleculeDefinition.hh.

{
  if (fElectronOccupancy != nullptr)
  {
    return fElectronOccupancy->GetSizeOfOrbit();
  }
 
  return 0;
}

◆ GetType()

const G4String & G4MoleculeDefinition::GetType ( ) const

inline

Definition at line 256 of file G4MoleculeDefinition.hh.

{
  return GetParticleSubType();
}

◆ GetVanDerVaalsRadius()

G4double G4MoleculeDefinition::GetVanDerVaalsRadius ( ) const

inline

Definition at line 235 of file G4MoleculeDefinition.hh.

{
  return fVanDerVaalsRadius;
}

Referenced by G4MolecularConfiguration::G4MolecularConfiguration(), G4MolecularConfiguration::G4MolecularConfiguration(), and G4MolecularConfiguration::G4MolecularConfiguration().

◆ Load()

G4MoleculeDefinition * G4MoleculeDefinition::Load ( std::istream & in )

static

Definition at line 75 of file G4MoleculeDefinition.cc.

{
  G4String name;
  G4double mass;
  G4double diffCoeff;
  G4int charge;
  G4int electronicLevels;
  G4double radius;
  G4int atomsNumber;
  G4double lifetime;
  G4String aType;
 
  READ(in,name);
  READ(in,mass);
  READ(in,diffCoeff);
  READ(in,charge);
  READ(in,electronicLevels);
  READ(in,radius);
  READ(in,atomsNumber);
  READ(in,lifetime);
  READ(in,aType);
 
  return new G4MoleculeDefinition(name,
                                  mass,
                                  diffCoeff,
                                  charge,
                                  electronicLevels,
                                  radius,
                                  atomsNumber,
                                  lifetime,
                                  aType);
}

◆ NewConfiguration()

G4MolecularConfiguration * G4MoleculeDefinition::NewConfiguration ( const G4String & excitedStateLabel )

Definition at line 147 of file G4MoleculeDefinition.cc.

{
  bool alreadyExist(false);
  return G4MolecularConfiguration::CreateMolecularConfiguration(GetName()+"_"+
                                                                molConfLabel,
                                                                this,
                                                                molConfLabel,
                                                                alreadyExist);
}

Referenced by G4ChemDissociationChannels::ConstructDissociationChannels(), and G4ChemDissociationChannels_option1::ConstructDissociationChannels().

◆ NewConfigurationWithElectronOccupancy()

G4MolecularConfiguration * G4MoleculeDefinition::NewConfigurationWithElectronOccupancy	(	const G4String &	excitedStateLabel,
		const G4ElectronOccupancy &	elecConf,
		double	decayTime = 0. )

Definition at line 169 of file G4MoleculeDefinition.cc.

{
  bool alreadyExist(false);
  G4MolecularConfiguration* conf =
      G4MolecularConfiguration::CreateMolecularConfiguration(GetName()+"_"+
                                                             exStId,
                                                             this,
                                                             exStId,
                                                             elecConf,
                                                             alreadyExist);
 
  conf->SetDecayTime(decayTime);
 
  return conf;
}

Referenced by G4ChemDissociationChannels::ConstructDissociationChannels(), and G4ChemDissociationChannels_option1::ConstructDissociationChannels().

◆ operator=()

G4MoleculeDefinition & G4MoleculeDefinition::operator= ( const G4MoleculeDefinition & )

delete

◆ Serialize()

void G4MoleculeDefinition::Serialize ( std::ostream & out )

Definition at line 108 of file G4MoleculeDefinition.cc.

{
  WRITE(out,this->G4ParticleDefinition::GetParticleName());
  WRITE(out,this->G4ParticleDefinition::GetPDGMass());
  WRITE(out,this->G4ParticleDefinition::GetPDGLifeTime());
  WRITE(out,this->G4ParticleDefinition::GetParticleType());
  WRITE(out,fDiffusionCoefficient);
  WRITE(out,fCharge);
  if(fElectronOccupancy != nullptr)
  {
    WRITE(out,fElectronOccupancy->GetSizeOfOrbit());
  }
  else
  {
    WRITE(out,(int) 0);
  }
  WRITE(out,fVanDerVaalsRadius);
  WRITE(out,fAtomsNb);
}

◆ SetAtomsNumber()

void G4MoleculeDefinition::SetAtomsNumber ( G4int val )

inline

Definition at line 220 of file G4MoleculeDefinition.hh.

{
  fAtomsNb = val;
}

◆ SetDiffusionCoefficient()

void G4MoleculeDefinition::SetDiffusionCoefficient ( G4double value )

inline

Definition at line 200 of file G4MoleculeDefinition.hh.

{
  fDiffusionCoefficient = value;
}

◆ SetFormatedName()

void G4MoleculeDefinition::SetFormatedName ( const G4String & name )

inline

Definition at line 168 of file G4MoleculeDefinition.hh.

  {
    fFormatedName = name;
  }

◆ SetLevelOccupation()

void G4MoleculeDefinition::SetLevelOccupation	(	G4int	shell,
		G4int	eNb = 2 )

Definition at line 190 of file G4MoleculeDefinition.cc.

{
  if(fElectronOccupancy != nullptr)
  {
    G4int levelOccupancy = fElectronOccupancy->GetOccupancy(shell);
 
    if(levelOccupancy != 0)
    {
 
      fElectronOccupancy->RemoveElectron(shell, levelOccupancy);
    }
 
    fElectronOccupancy->AddElectron(shell, eNb);
  }
}

◆ SetVanDerVaalsRadius()

void G4MoleculeDefinition::SetVanDerVaalsRadius ( G4double val )

inline

Definition at line 230 of file G4MoleculeDefinition.hh.

{
  fVanDerVaalsRadius = val;
}

The documentation for this class was generated from the following files:

Public Member Functions

Static Public Member Functions

Protected Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ G4MoleculeDefinition() [1/3]

◆ ~G4MoleculeDefinition()

◆ G4MoleculeDefinition() [2/3]

◆ G4MoleculeDefinition() [3/3]

Member Function Documentation

◆ AddDecayChannel() [1/2]

◆ AddDecayChannel() [2/2]

◆ Finalize()

◆ GetAtomsNumber()

◆ GetCharge()

◆ GetConfigurationWithLabel()

◆ GetDecayChannels() [1/2]

◆ GetDecayChannels() [2/2]

◆ GetDecayTable() [1/2]

◆ GetDecayTable() [2/2]

◆ GetDecayTime()

◆ GetDiffusionCoefficient()

◆ GetFormatedName()

◆ GetGroundStateElectronOccupancy()

◆ GetMass()

◆ GetName()

◆ GetNbElectrons()

◆ GetNbMolecularShells()

◆ GetType()

◆ GetVanDerVaalsRadius()

◆ Load()

◆ NewConfiguration()

◆ NewConfigurationWithElectronOccupancy()

◆ operator=()

◆ Serialize()

◆ SetAtomsNumber()

◆ SetDiffusionCoefficient()

◆ SetFormatedName()

◆ SetLevelOccupation()

◆ SetVanDerVaalsRadius()