G4MoleculeDefinition Class Reference

#include <G4MoleculeDefinition.hh>

Inheritance diagram for G4MoleculeDefinition:

Public Member Functions
	G4MoleculeDefinition (const G4String &name, G4double mass, G4int electronsNumber, G4int electronicLevels, G4double diffCoeff, G4int atomsNumber=-1, G4double radius=-1, G4double lifetime=-1, G4String aType="", G4MoleculeID ID=G4MoleculeID::Create())
virtual	~G4MoleculeDefinition ()
void	SetLevelOccupation (G4int, G4int eNb=2)
void	SetDiffusionCoefficient (G4double)
G4double	GetDiffusionCoefficient () const
void	SetAtomsNumber (G4int)
G4int	GetAtomsNumber () const
void	SetVanDerVaalsRadius (G4double)
G4double	GetVanDerVaalsRadius () const
void	AddExcitedState (const G4String &)
const G4String &	GetExcitedState (const G4ElectronOccupancy *) const
void	AddDecayChannel (const G4String &, const G4MolecularDecayChannel *)
void	AddeConfToExcitedState (const G4String &, const G4ElectronOccupancy &, double decayTime=0.)
const std::vector< const G4MolecularDecayChannel * > *	GetDecayChannels (const G4ElectronOccupancy *) const
const std::vector< const G4MolecularDecayChannel * > *	GetDecayChannels (const G4String &) const
const G4ElectronOccupancy *	GetGroundStateElectronOccupancy () const
const G4String &	GetName () const
G4double	GetMass () const
const G4String &	GetType () const
G4int	GetNbElectrons () const
G4int	GetNbMolecularShells () const
const G4MolecularDecayTable *	GetDecayTable () const
G4MolecularDecayTable *	GetDecayTable ()
G4double	GetDecayTime () const
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 ()
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)
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
G4int	operator== (const G4ParticleDefinition &right) const
G4int	operator!= (const G4ParticleDefinition &right) const
G4ProcessManager *	GetMasterProcessManager () const
void	SetMasterProcessManager (G4ProcessManager *aNewPM)
G4int	GetInstanceID () const
void	SetParticleDefinitionID (G4int id=-1)
G4int	GetParticleDefinitionID () const

Protected Member Functions
	G4MoleculeDefinition ()
	G4MoleculeDefinition (const G4MoleculeDefinition &)
Protected Member Functions inherited from G4ParticleDefinition
G4int	FillQuarkContents ()
void	SetParticleSubType (const G4String &subtype)
void	SetAtomicNumber (G4int)
void	SetAtomicMass (G4int)
	G4ParticleDefinition (const G4ParticleDefinition &right)
	G4ParticleDefinition ()

Additional Inherited Members
Static Public Member Functions inherited from G4ParticleDefinition
static const G4PDefManager &	GetSubInstanceManager ()
Protected Types inherited from G4ParticleDefinition
enum	{ NumberOfQuarkFlavor = 6 }
Protected Attributes inherited from G4ParticleDefinition
G4int	theQuarkContent [NumberOfQuarkFlavor]
G4int	theAntiQuarkContent [NumberOfQuarkFlavor]
G4bool	isGeneralIon

Detailed Description

Definition at line 59 of file G4MoleculeDefinition.hh.

Constructor & Destructor Documentation

G4MoleculeDefinition::G4MoleculeDefinition	(	const G4String &	name,
		G4double	mass,
		G4int	electronsNumber,
		G4int	electronicLevels,
		G4double	diffCoeff,
		G4int	atomsNumber = -1,
		G4double	radius = -1,
		G4double	lifetime = -1,
		G4String	aType = "",
		G4MoleculeID	ID = G4MoleculeID::Create()
	)

Definition at line 45 of file G4MoleculeDefinition.cc.

                                            :
    G4ParticleDefinition(name, mass, 0., 0., 0, 0, 0, 0, 0, 0, "Molecule",
                         0, 0, ID, false, lifetime, NULL, false, aType, 0, 0.0),
    fMass(mass),
    fNbOfElectrons(electronsNumber), fNbOfMolecularShells(electronicLevels), fDiffusionCoefficient(diffCoeff),
    fAtomsNb(atomsNumber), fVanDerVaalsRadius(radius)

{
    fElectronOccupancy = new G4ElectronOccupancy(fNbOfMolecularShells);
    fDecayTable = NULL;
}

G4MoleculeDefinition::~G4MoleculeDefinition ( )

virtual

Definition at line 67 of file G4MoleculeDefinition.cc.

{
    if (fElectronOccupancy)
    {
        delete fElectronOccupancy;
        fElectronOccupancy = 0;
    }
    if (fDecayTable)
    {
        delete fDecayTable;
        fDecayTable = 0;
    }
    // fMolecularConfiguration = 0;
}

G4MoleculeDefinition::G4MoleculeDefinition ( )

protected

Referenced by G4Electron_aq::Definition(), G4OH::Definition(), G4Hydrogen::Definition(), G4H3O::Definition(), G4H2O2::Definition(), G4H2O::Definition(), and G4H2::Definition().

G4MoleculeDefinition::G4MoleculeDefinition ( const G4MoleculeDefinition &  right )

protected

Definition at line 176 of file G4MoleculeDefinition.cc.

                                                                           :
    G4ParticleDefinition((const G4ParticleDefinition &)right),
    fMass(right.fMass),
    fNbOfElectrons (right.fNbOfElectrons),
    fNbOfMolecularShells(right.fNbOfMolecularShells),
    fDiffusionCoefficient( right.fDiffusionCoefficient),
    fAtomsNb( right.fAtomsNb),
    fVanDerVaalsRadius (right.fVanDerVaalsRadius)
{
    if(right.fElectronOccupancy!=0)
    {
        fElectronOccupancy= new G4ElectronOccupancy(*(right.fElectronOccupancy));
    }
    else fElectronOccupancy = 0;

    if(right.fDecayTable!=0)
    {
        fDecayTable = new G4MolecularDecayTable(*(right.fDecayTable));
    }
    else fDecayTable = 0;
}

Member Function Documentation

void G4MoleculeDefinition::AddDecayChannel	(	const G4String &	chanId,
		const G4MolecularDecayChannel *	chan
	)

Definition at line 132 of file G4MoleculeDefinition.cc.

References G4MolecularDecayTable::AddDecayChannel().

{
    if (!fDecayTable)
    {
        fDecayTable = new G4MolecularDecayTable();
    }
    fDecayTable->AddDecayChannel(chanId, chan);
}

void G4MoleculeDefinition::AddeConfToExcitedState	(	const G4String &	exStId,
		const G4ElectronOccupancy &	conf,
		double	decayTime = 0.
	)

Definition at line 82 of file G4MoleculeDefinition.cc.

References G4MolecularDecayTable::AddeConfToExcitedState(), G4MolecularConfiguration::GetMolecularConfiguration(), and G4MolecularConfiguration::SetDecayTime().

{
    if (!fDecayTable)
    {
        fDecayTable = new G4MolecularDecayTable();
    }
    fDecayTable->AddeConfToExcitedState(exStId, conf);
    G4MolecularConfiguration::GetMolecularConfiguration(this,conf)->SetDecayTime(decayTime);
}

void G4MoleculeDefinition::AddExcitedState

(

const G4String &

val

)

Definition at line 108 of file G4MoleculeDefinition.cc.

References G4MolecularDecayTable::AddExcitedState().

{
    if (!fDecayTable)
    {
        fDecayTable = new G4MolecularDecayTable();
    }

    fDecayTable->AddExcitedState(val);
}

G4int G4MoleculeDefinition::GetAtomsNumber ( ) const

inline

Definition at line 167 of file G4MoleculeDefinition.hh.

{
    return fAtomsNb;
}

const vector< const G4MolecularDecayChannel * > * G4MoleculeDefinition::GetDecayChannels

(

const G4ElectronOccupancy *

occ

)

const

Definition at line 157 of file G4MoleculeDefinition.cc.

References FatalErrorInArgument, G4Exception(), G4MolecularDecayTable::GetDecayChannels(), and GetName().

{
    if (fDecayTable)
    {
        const vector<const G4MolecularDecayChannel*>* output = fDecayTable->GetDecayChannels(occ);
        return output;
    }
    else
    {
        G4String const errMsg = ": no Excited States and Decays for"+ GetName() + " are defined.";
        G4Exception("G4MoleculeDefinition::GetDecayChannels","",FatalErrorInArgument,errMsg);
    }
    return 0;
}

const vector< const G4MolecularDecayChannel * > * G4MoleculeDefinition::GetDecayChannels

(

const G4String &

ExState

)

const

Definition at line 142 of file G4MoleculeDefinition.cc.

References FatalErrorInArgument, G4Exception(), G4MolecularDecayTable::GetDecayChannels(), and GetName().

{
    if (fDecayTable)
    {
        const vector<const G4MolecularDecayChannel*>* output = fDecayTable->GetDecayChannels(ExState);
        return output;
    }
    else
    {
        G4String const errMsg = ": no Excited States and Decays for"+ GetName() + " are defined.";
        G4Exception("G4MoleculeDefinition::GetDecayChannels","",FatalErrorInArgument,errMsg);
    }
    return 0;
}

const G4MolecularDecayTable * G4MoleculeDefinition::GetDecayTable ( ) const

inline

Definition at line 216 of file G4MoleculeDefinition.hh.

{
    return fDecayTable;
}

G4MolecularDecayTable * G4MoleculeDefinition::GetDecayTable ( )

inline

Definition at line 221 of file G4MoleculeDefinition.hh.

{
    return fDecayTable;
}

G4double G4MoleculeDefinition::GetDecayTime ( ) const

inline

Definition at line 157 of file G4MoleculeDefinition.hh.

References G4ParticleDefinition::GetPDGLifeTime().

{
    return GetPDGLifeTime();
}

G4double G4MoleculeDefinition::GetDiffusionCoefficient ( ) const

inline

Definition at line 152 of file G4MoleculeDefinition.hh.

{
    return fDiffusionCoefficient;
}

const G4String & G4MoleculeDefinition::GetExcitedState

(

const G4ElectronOccupancy *

occ

)

const

Definition at line 118 of file G4MoleculeDefinition.cc.

References FatalErrorInArgument, G4Exception(), G4MolecularDecayTable::GetExcitedState(), and GetName().

{
    if (fDecayTable)
    {
        return fDecayTable->GetExcitedState(occ);
    }
    else
    {
        G4String const errMsg = ": no Excited States and Decays for"+ GetName() + " are defined.";
        G4Exception("G4MoleculeDefinition::GetExcitedState","",FatalErrorInArgument,errMsg);
    }
    return *(new G4String(""));
}

const G4ElectronOccupancy * G4MoleculeDefinition::GetGroundStateElectronOccupancy ( ) const

inline

Definition at line 182 of file G4MoleculeDefinition.hh.

Referenced by G4Molecule::G4Molecule(), and G4MolecularConfiguration::GetMolecularConfiguration().

{
    return fElectronOccupancy;
}

G4double G4MoleculeDefinition::GetMass ( ) const

inline

Definition at line 193 of file G4MoleculeDefinition.hh.

{
    return fMass;
}

const G4String & G4MoleculeDefinition::GetName ( void  ) const

inline

Definition at line 187 of file G4MoleculeDefinition.hh.

References G4ParticleDefinition::GetParticleName().

Referenced by GetDecayChannels(), and GetExcitedState().

{

    return GetParticleName();
}

G4int G4MoleculeDefinition::GetNbElectrons ( ) const

inline

Definition at line 204 of file G4MoleculeDefinition.hh.

Referenced by G4MolecularConfiguration::G4MolecularConfiguration().

{

    return fNbOfElectrons;
}

G4int G4MoleculeDefinition::GetNbMolecularShells ( ) const

inline

Definition at line 210 of file G4MoleculeDefinition.hh.

{

    return fNbOfMolecularShells;
}

const G4String & G4MoleculeDefinition::GetType ( ) const

inline

Definition at line 198 of file G4MoleculeDefinition.hh.

References G4ParticleDefinition::GetParticleSubType().

{

    return GetParticleSubType();
}

G4double G4MoleculeDefinition::GetVanDerVaalsRadius ( ) const

inline

Definition at line 177 of file G4MoleculeDefinition.hh.

{
    return fVanDerVaalsRadius;
}

void G4MoleculeDefinition::SetAtomsNumber ( G4int  val )

inline

Definition at line 162 of file G4MoleculeDefinition.hh.

{
    fAtomsNb = val;
}

void G4MoleculeDefinition::SetDiffusionCoefficient ( G4double  value )

inline

Definition at line 147 of file G4MoleculeDefinition.hh.

{
    fDiffusionCoefficient = value;
}

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

Definition at line 94 of file G4MoleculeDefinition.cc.

References G4ElectronOccupancy::AddElectron(), G4ElectronOccupancy::GetOccupancy(), and G4ElectronOccupancy::RemoveElectron().

Referenced by G4Electron_aq::Definition(), G4Hydrogen::Definition(), and G4H2::Definition().

{
    G4int levelOccupancy = fElectronOccupancy->GetOccupancy(shell);

    if (levelOccupancy)
    {

        fElectronOccupancy->RemoveElectron(shell, levelOccupancy);
    }

    fElectronOccupancy->AddElectron(shell,eNb);

}

void G4MoleculeDefinition::SetVanDerVaalsRadius ( G4double  val )

inline

Definition at line 172 of file G4MoleculeDefinition.hh.

{
    fVanDerVaalsRadius = val;
}

---

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

• G4MoleculeDefinition.hh
• G4MoleculeDefinition.cc