G4MoleculeDefinition Class Reference

#include <G4MoleculeDefinition.hh>

Inheritance diagram for G4MoleculeDefinition:

Collaboration 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())
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
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 ()
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

Static Public Member Functions
static G4MoleculeDefinition *	Load (std::istream &)
Static Public Member Functions inherited from G4ParticleDefinition
static const G4PDefManager &	GetSubInstanceManager ()

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
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 76 of file G4MoleculeDefinition.hh.

Constructor & Destructor Documentation

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 46 of file G4MoleculeDefinition.cc.

                                                                :
    G4ParticleDefinition(name, mass, 0., charge, 0, 0, 0, 0, 0, 0, "Molecule",
                         0, 0, ID, false, lifetime, NULL, false, aType, 0, 0.0),
    fDiffusionCoefficient(diffCoeff),
    fAtomsNb(atomsNumber),
    fVanDerVaalsRadius(radius)

{
  fCharge = charge;
  if(electronicLevels)
  {
    fElectronOccupancy = new G4ElectronOccupancy(electronicLevels);
  }
  else
  {
    fElectronOccupancy = 0;
  }
  fDecayTable = NULL;
  G4MoleculeTable::Instance()->Insert(this);
}

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G4MoleculeDefinition::~G4MoleculeDefinition ( )

virtual

Definition at line 131 of file G4MoleculeDefinition.cc.

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

G4MoleculeDefinition::G4MoleculeDefinition ( )

protected

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G4MoleculeDefinition::G4MoleculeDefinition ( const G4MoleculeDefinition &  right )

protected

Definition at line 287 of file G4MoleculeDefinition.cc.

                                                                            :
    G4ParticleDefinition((const G4ParticleDefinition &) right),
    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 G4MolecularDissociationTable(*(right.fDecayTable));
  }
  else fDecayTable = 0;

  fCharge = right.fCharge;
}

Member Function Documentation

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

Definition at line 224 of file G4MoleculeDefinition.cc.

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

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

Definition at line 209 of file G4MoleculeDefinition.cc.

{
  if(!fDecayTable)
  {
    fDecayTable = new G4MolecularDissociationTable();
  }

  fDecayTable->AddChannel(G4MolecularConfiguration::GetMolecularConfiguration(this,
                                                                              molecularConfLabel),
                          channel);
}

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void G4MoleculeDefinition::Finalize

(

)

Definition at line 321 of file G4MoleculeDefinition.cc.

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

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G4int G4MoleculeDefinition::GetAtomsNumber ( ) const

inline

Definition at line 226 of file G4MoleculeDefinition.hh.

{
  return fAtomsNb;
}

G4int G4MoleculeDefinition::GetCharge ( ) const

inline

Definition at line 211 of file G4MoleculeDefinition.hh.

{
  return fCharge;
}

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G4MolecularConfiguration * G4MoleculeDefinition::GetConfigurationWithLabel

(

const G4String &

molecularConfLabel

)

Definition at line 161 of file G4MoleculeDefinition.cc.

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

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const vector< const G4MolecularDissociationChannel * > * G4MoleculeDefinition::GetDecayChannels

(

const G4MolecularConfiguration *

conf

)

const

Definition at line 260 of file G4MoleculeDefinition.cc.

{
  if(fDecayTable)
  {
    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 0;
}

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const vector< const G4MolecularDissociationChannel * > * G4MoleculeDefinition::GetDecayChannels

(

const G4String &

ExState

)

const

Definition at line 237 of file G4MoleculeDefinition.cc.

{
  if (fDecayTable)
  {
    const vector<const G4MolecularDissociationChannel*>* output =
        fDecayTable->GetDecayChannels(ExState);
    return output;
  }
  else
  {
    G4ExceptionDescription errMsg;
    errMsg <<  ": no Excited States and Decays for"
           << GetName()
           << " are defined.";
    G4Exception("G4MoleculeDefinition::GetDecayChannels", "",
                FatalErrorInArgument, errMsg);
  }
  return 0;
}

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const G4MolecularDissociationTable * G4MoleculeDefinition::GetDecayTable ( ) const

inline

Definition at line 283 of file G4MoleculeDefinition.hh.

{
  return fDecayTable;
}

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G4MolecularDissociationTable * G4MoleculeDefinition::GetDecayTable ( )

inline

Definition at line 288 of file G4MoleculeDefinition.hh.

{
  return fDecayTable;
}

G4double G4MoleculeDefinition::GetDecayTime ( ) const

inline

Definition at line 216 of file G4MoleculeDefinition.hh.

{
  return GetPDGLifeTime();
}

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G4double G4MoleculeDefinition::GetDiffusionCoefficient ( ) const

inline

Definition at line 206 of file G4MoleculeDefinition.hh.

{
  return fDiffusionCoefficient;
}

const G4String& G4MoleculeDefinition::GetFormatedName ( ) const

inline

Definition at line 159 of file G4MoleculeDefinition.hh.

  {
    return fFormatedName;
  }

const G4ElectronOccupancy * G4MoleculeDefinition::GetGroundStateElectronOccupancy ( ) const

inline

Definition at line 241 of file G4MoleculeDefinition.hh.

{
  return fElectronOccupancy;
}

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G4double G4MoleculeDefinition::GetMass ( ) const

inline

Definition at line 252 of file G4MoleculeDefinition.hh.

{
  return GetPDGMass();
}

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const G4String & G4MoleculeDefinition::GetName ( ) const

inline

Definition at line 246 of file G4MoleculeDefinition.hh.

{

  return GetParticleName();
}

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G4int G4MoleculeDefinition::GetNbElectrons ( ) const

inline

Definition at line 262 of file G4MoleculeDefinition.hh.

{
  if (fElectronOccupancy)
  {
    return fElectronOccupancy->GetTotalOccupancy();
  }

  return 0;
  //    return fNbOfElectrons;
}

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G4int G4MoleculeDefinition::GetNbMolecularShells ( ) const

inline

Definition at line 273 of file G4MoleculeDefinition.hh.

{
  if (fElectronOccupancy)
  {
    return fElectronOccupancy->GetSizeOfOrbit();
  }

  return 0;
}

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const G4String & G4MoleculeDefinition::GetType ( ) const

inline

Definition at line 257 of file G4MoleculeDefinition.hh.

{
  return GetParticleSubType();
}

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G4double G4MoleculeDefinition::GetVanDerVaalsRadius ( ) const

inline

Definition at line 236 of file G4MoleculeDefinition.hh.

{
  return fVanDerVaalsRadius;
}

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

static

Definition at line 76 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);
}

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G4MolecularConfiguration * G4MoleculeDefinition::NewConfiguration

(

const G4String &

excitedStateLabel

)

Definition at line 148 of file G4MoleculeDefinition.cc.

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

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

Definition at line 171 of file G4MoleculeDefinition.cc.

{
  bool alreadyExist(false);
  G4MolecularConfiguration* conf =
      G4MolecularConfiguration::CreateMolecularConfiguration(GetName()+"_"+
                                                             exStId,
                                                             this,
                                                             exStId,
                                                             elecConf,
                                                             alreadyExist);

  conf->SetDecayTime(decayTime);

  return conf;
}

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void G4MoleculeDefinition::Serialize

(

std::ostream &

out

)

Definition at line 109 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)
  {
    WRITE(out,fElectronOccupancy->GetSizeOfOrbit());
  }
  else
  {
    WRITE(out,(int) 0);
  }
  WRITE(out,fVanDerVaalsRadius);
  WRITE(out,fAtomsNb);
}

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void G4MoleculeDefinition::SetAtomsNumber ( G4int  val )

inline

Definition at line 221 of file G4MoleculeDefinition.hh.

{
  fAtomsNb = val;
}

void G4MoleculeDefinition::SetDiffusionCoefficient ( G4double  value )

inline

Definition at line 201 of file G4MoleculeDefinition.hh.

{
  fDiffusionCoefficient = value;
}

void G4MoleculeDefinition::SetFormatedName ( const G4String &  name )

inline

Definition at line 165 of file G4MoleculeDefinition.hh.

  {
    fFormatedName = name;
  }

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

Definition at line 191 of file G4MoleculeDefinition.cc.

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

    if(levelOccupancy)
    {

      fElectronOccupancy->RemoveElectron(shell, levelOccupancy);
    }

    fElectronOccupancy->AddElectron(shell, eNb);
  }
}

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void G4MoleculeDefinition::SetVanDerVaalsRadius ( G4double  val )

inline

Definition at line 231 of file G4MoleculeDefinition.hh.

{
  fVanDerVaalsRadius = val;
}

---

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

• geant4.10.03.p01/source/processes/electromagnetic/dna/molecules/management/include/G4MoleculeDefinition.hh
• geant4.10.03.p01/source/processes/electromagnetic/dna/molecules/management/src/G4MoleculeDefinition.cc