G4Molecule Class Reference

#include <G4Molecule.hh>

Inheritance diagram for G4Molecule:

Public Member Functions
	ITDef (G4Molecule) void Print() const
void *	operator new (size_t)
void	operator delete (void *)
	G4Molecule (const G4Molecule &)
G4Molecule &	operator= (const G4Molecule &right)
G4bool	operator== (const G4Molecule &right) const
G4bool	operator!= (const G4Molecule &right) const
G4bool	operator< (const G4Molecule &right) const
	operator int () const
virtual G4ITType	GetITSubType () const
	G4Molecule (G4MoleculeDefinition *pMoleculeDefinition)
	G4Molecule (G4MoleculeDefinition *pMoleculeDefinition, int charge)
	G4Molecule (G4MoleculeDefinition *pMoleculeDefinition, G4int, G4int)
	G4Molecule (G4MoleculeDefinition *pMoleculeDefinition, G4int, G4bool)
	G4Molecule (const G4MolecularConfiguration *)
virtual	~G4Molecule ()
const G4String &	GetName () const
const G4String &	GetFormatedName () const
G4int	GetAtomsNumber () const
void	SetElectronOccupancy (const G4ElectronOccupancy *)
void	ExciteMolecule (G4int)
void	IonizeMolecule (G4int)
void	AddElectron (G4int orbit, G4int n=1)
void	RemoveElectron (G4int, G4int number=1)
void	MoveOneElectron (G4int, G4int)
G4double	GetNbElectrons () const
void	PrintState () const
G4Track *	BuildTrack (G4double globalTime, const G4ThreeVector &Position)
G4double	GetKineticEnergy () const
G4double	GetDiffusionVelocity () const
const std::vector< const G4MolecularDissociationChannel * > *	GetDissociationChannels () const
G4int	GetFakeParticleID () const
G4int	GetMoleculeID () const
const G4MoleculeDefinition *	GetDefinition () const
void	SetDiffusionCoefficient (G4double)
G4double	GetDiffusionCoefficient () const
G4double	GetDiffusionCoefficient (const G4Material *, double temperature) const
void	SetDecayTime (G4double)
G4double	GetDecayTime () const
void	SetVanDerVaalsRadius (G4double)
G4double	GetVanDerVaalsRadius () const
const G4ElectronOccupancy *	GetElectronOccupancy () const
G4int	GetCharge () const
void	SetMass (G4double)
G4double	GetMass () const
const G4String &	GetLabel () const
void	SetLabel (const G4String &label)
void	ChangeConfigurationToLabel (const G4String &label)
const G4MolecularConfiguration *	GetMolecularConfiguration () const
Public Member Functions inherited from G4IT
	G4IT ()
	G4IT (G4Track *)
virtual	~G4IT ()
virtual void	Print () const
virtual const G4String &	GetName () const =0
virtual G4bool	diff (const G4IT &right) const =0
virtual G4bool	equal (const G4IT &right) const =0
G4bool	operator< (const G4IT &right) const
G4bool	operator== (const G4IT &right) const
G4bool	operator!= (const G4IT &right) const
void	SetTrack (G4Track *)
G4Track *	GetTrack ()
const G4Track *	GetTrack () const
void	RecordCurrentPositionNTime ()
const G4ThreeVector &	GetPosition () const
double	operator[] (int i) const
const G4ThreeVector &	GetPreStepPosition () const
G4double	GetPreStepLocalTime () const
G4double	GetPreStepGlobalTime () const
void	SetPrevious (G4IT *)
void	SetNext (G4IT *)
G4IT *	GetPrevious ()
G4IT *	GetNext ()
const G4IT *	GetPrevious () const
const G4IT *	GetNext () const
void	SetITBox (G4ITBox *)
const G4ITBox *	GetITBox () const
void	TakeOutBox ()
void	SetNode (G4KDNode_Base *)
G4KDNode_Base *	GetNode () const
void	SetParentID (int, int)
void	GetParentID (int &, int &)
G4TrackingInformation *	GetTrackingInfo ()
G4TrackListNode *	GetListNode ()
void	SetListNode (G4TrackListNode *node)
virtual const G4ITType	GetITType () const =0
virtual G4ITType	GetITSubType () const
Public Member Functions inherited from G4VUserTrackInformation
	G4VUserTrackInformation ()=default
	G4VUserTrackInformation (const G4String &infoType)
	G4VUserTrackInformation (const G4VUserTrackInformation &)
G4VUserTrackInformation &	operator= (const G4VUserTrackInformation &)
virtual	~G4VUserTrackInformation ()
virtual void	Print () const
const G4String &	GetType () const

Static Public Member Functions
static G4Molecule *	GetMolecule (const G4Track *)

Additional Inherited Members
Protected Member Functions inherited from G4IT
	G4IT (const G4IT &)
G4IT &	operator= (const G4IT &)
Protected Attributes inherited from G4IT
G4Track *	fpTrack
Protected Attributes inherited from G4VUserTrackInformation
G4String *	pType = nullptr

Detailed Description

Class Description The dynamic molecule holds all the data that change for a molecule It has a pointer to G4MoleculeDefinition object, which holds all the "ground level" information.

Definition at line 98 of file G4Molecule.hh.

Constructor & Destructor Documentation

G4Molecule() [1/6]

G4Molecule::G4Molecule

(

const G4Molecule &

right

)

Definition at line 102 of file G4Molecule.cc.

    : G4VUserTrackInformation("G4Molecule")
    , G4IT(right)
{
    fpMolecularConfiguration = right.fpMolecularConfiguration;
}

Referenced by G4Molecule().

G4Molecule() [2/6]

G4Molecule::G4Molecule

(

G4MoleculeDefinition *

pMoleculeDefinition

)

To build a molecule at ground state according to a given G4MoleculeDefinition that can be obtained from G4GenericMoleculeManager

Build a molecule at ground state according to a given G4MoleculeDefinition that can be obtained from G4GenericMoleculeManager

Definition at line 178 of file G4Molecule.cc.

    : G4VUserTrackInformation("G4Molecule")
    , G4IT()
{
    fpMolecularConfiguration = G4MolecularConfiguration::GetOrCreateMolecularConfiguration(pMoleculeDefinition);
}

G4Molecule() [3/6]

G4Molecule::G4Molecule	(	G4MoleculeDefinition *	pMoleculeDefinition,
		int	charge
	)

Definition at line 187 of file G4Molecule.cc.

{
    fpMolecularConfiguration = G4MolecularConfiguration::GetOrCreateMolecularConfiguration(pMoleculeDefinition,
                                                                                           charge);
}

G4Molecule() [4/6]

G4Molecule::G4Molecule	(	G4MoleculeDefinition *	pMoleculeDefinition,
		G4int	OrbitalToFree,
		G4int	OrbitalToFill
	)

To build a molecule at a specific excitation/ionisation state according to a ground state that can be obtained from G4GenericMoleculeManager

Build a molecule at a specific excitation/ionisation state according to a ground state that can be obtained from G4GenericMoleculeManager. Put 0 in the second option if this is a ionisation.

Definition at line 198 of file G4Molecule.cc.

   : G4VUserTrackInformation("G4Molecule")
   , G4IT()
{
    if (pMoleculeDefinition->GetGroundStateElectronOccupancy())
    {
        G4ElectronOccupancy dynElectronOccupancy(*pMoleculeDefinition->GetGroundStateElectronOccupancy());
 
        if (OrbitalToFill != 0)
        {
            dynElectronOccupancy.RemoveElectron(OrbitalToFree - 1, 1);
            dynElectronOccupancy.AddElectron(OrbitalToFill - 1, 1);
            // dynElectronOccupancy.DumpInfo(); // DEBUG
        }
 
        if (OrbitalToFill == 0)
        {
            dynElectronOccupancy.RemoveElectron(OrbitalToFree - 1, 1);
            // dynElectronOccupancy.DumpInfo(); // DEBUG
        }
 
        fpMolecularConfiguration =
            G4MolecularConfiguration::GetOrCreateMolecularConfiguration(
                pMoleculeDefinition, dynElectronOccupancy);
    }
    else
    {
        fpMolecularConfiguration = nullptr;
        G4Exception(
            "G4Molecule::G4Molecule(G4MoleculeDefinition* pMoleculeDefinition, "
            "G4int OrbitalToFree, G4int OrbitalToFill)",
            "G4Molecule_wrong_usage_of_constructor",
            FatalErrorInArgument,
            "If you want to use this constructor, the molecule definition has to be "
            "first defined with electron occupancies");
    }
}

G4Molecule() [5/6]

G4Molecule::G4Molecule	(	G4MoleculeDefinition *	pMoleculeDefinition,
		G4int	level,
		G4bool	excitation
	)

Specific builder for water molecules to be used in Geant4-DNA, the last option Excitation is true if the molecule is excited, is false is the molecule is ionized.

Definition at line 243 of file G4Molecule.cc.

    : G4VUserTrackInformation("G4Molecule")
    , G4IT()
{
    if (pMoleculeDefinition->GetGroundStateElectronOccupancy())
    {
        G4ElectronOccupancy dynElectronOccupancy(*pMoleculeDefinition->GetGroundStateElectronOccupancy());
 
        if (excitation)
        {
            dynElectronOccupancy.RemoveElectron(level, 1);
            dynElectronOccupancy.AddElectron(5, 1);
            // dynElectronOccupancy.DumpInfo(); // DEBUG
        }
        else
        {
            dynElectronOccupancy.RemoveElectron(level, 1);
            // dynElectronOccupancy.DumpInfo(); // DEBUG
        }
 
        fpMolecularConfiguration = G4MolecularConfiguration::GetOrCreateMolecularConfiguration(pMoleculeDefinition,
                dynElectronOccupancy);
    }
    else
    {
        fpMolecularConfiguration = nullptr;
        G4Exception(
            "G4Molecule::G4Molecule(G4MoleculeDefinition* pMoleculeDefinition, "
            "G4int OrbitalToFree, G4int OrbitalToFill)",
            "G4Molecule_wrong_usage_of_constructor",
            FatalErrorInArgument,
            "If you want to use this constructor, the molecule definition has to be "
            "first defined with electron occupancies");
    }
}

G4Molecule() [6/6]

G4Molecule::G4Molecule

(

const G4MolecularConfiguration *

pMolecularConfiguration

)

Definition at line 283 of file G4Molecule.cc.

{
    fpMolecularConfiguration = pMolecularConfiguration;
}

~G4Molecule()

G4Molecule::~G4Molecule ( )

virtual

Definition at line 158 of file G4Molecule.cc.

{
    if (fpTrack != nullptr)
    {
        if (G4VMoleculeCounter::Instance()->InUse())
        {
            G4VMoleculeCounter::Instance()->
                RemoveAMoleculeAtTime(fpMolecularConfiguration,
                                      fpTrack->GetGlobalTime(),
                                      &(fpTrack->GetPosition()));
        }
        fpTrack = nullptr;
    }
    fpMolecularConfiguration = nullptr;
}

Member Function Documentation

AddElectron()

void G4Molecule::AddElectron	(	G4int	orbit,
		G4int	n = 1
	)

Add n electrons to a given orbit. Note : You can add as many electrons to a given orbit, the result may be unrealist.

Definition at line 313 of file G4Molecule.cc.

{
    fpMolecularConfiguration = fpMolecularConfiguration->AddElectron(orbit, number);
}

Referenced by G4DNAChemistryManager::CreateWaterMolecule().

BuildTrack()

G4Track * G4Molecule::BuildTrack	(	G4double	globalTime,
		const G4ThreeVector &	Position
	)

Definition at line 371 of file G4Molecule.cc.

{
    if (fpTrack != nullptr)
    {
        G4Exception("G4Molecule::BuildTrack", "Molecule001", FatalErrorInArgument,
                    "A track was already assigned to this molecule");
    }
 
    // Kinetic Values
    // Set a random direction to the molecule
    G4double costheta = (2 * G4UniformRand() - 1);
    G4double theta = acos(costheta);
    G4double phi = 2 * pi * G4UniformRand();
 
    G4double xMomentum = cos(phi) * sin(theta);
    G4double yMomentum = sin(theta) * sin(phi);
    G4double zMomentum = costheta;
 
    G4ThreeVector MomentumDirection(xMomentum, yMomentum, zMomentum);
    G4double KineticEnergy = GetKineticEnergy();
 
    G4DynamicParticle* dynamicParticle = new G4DynamicParticle(
        fpMolecularConfiguration->GetDefinition(), MomentumDirection,
        KineticEnergy);
 
    if (G4VMoleculeCounter::Instance()->InUse())
    {
        G4VMoleculeCounter::Instance()->
            AddAMoleculeAtTime(fpMolecularConfiguration,
                               globalTime,
                               &(fpTrack->GetPosition()));
    }
 
    //Set the Track
    fpTrack = new G4Track(dynamicParticle, globalTime, position);
    fpTrack->SetUserInformation(this);
 
    return fpTrack;
}

Referenced by G4MoleculeGun::BuildAndPushTrack(), G4DNAChemistryManager::CreateWaterMolecule(), and G4DNAIRT::Sampling().

ChangeConfigurationToLabel()

void G4Molecule::ChangeConfigurationToLabel

(

const G4String &

label

)

Definition at line 544 of file G4Molecule.cc.

{
    // TODO check fpMolecularConfiguration already exists
    // and new one as well
    // TODO notify for stack change
    fpMolecularConfiguration = G4MolecularConfiguration::GetMolecularConfiguration(
        fpMolecularConfiguration->GetDefinition(), label);
 
    assert(fpMolecularConfiguration != nullptr);
}

ExciteMolecule()

void G4Molecule::ExciteMolecule

(

G4int

excitationLevel

)

Method used in Geant4-DNA to excite water molecules

Definition at line 299 of file G4Molecule.cc.

{
    fpMolecularConfiguration = fpMolecularConfiguration->ExciteMolecule(excitationLevel);
}

Referenced by G4DNAChemistryManager::CreateWaterMolecule().

GetAtomsNumber()

G4int G4Molecule::GetAtomsNumber

(

)

const

Returns the nomber of atoms compouning the molecule

Definition at line 350 of file G4Molecule.cc.

{
    return fpMolecularConfiguration->GetAtomsNumber();
}

GetCharge()

G4int G4Molecule::GetCharge

(

)

const

Returns the charge of molecule.

Definition at line 486 of file G4Molecule.cc.

{
    return fpMolecularConfiguration->GetCharge();
}

GetDecayTime()

G4double G4Molecule::GetDecayTime

(

)

const

Returns the decay time of the molecule.

Definition at line 472 of file G4Molecule.cc.

{
    return fpMolecularConfiguration->GetDecayTime();
}

Referenced by G4DNAMolecularDissociation::GetMeanLifeTime().

GetDefinition()

const G4MoleculeDefinition * G4Molecule::GetDefinition

(

)

const

Get molecule definition. This G4MoleculeDefinition has the ground electronic state of the molecule.

Definition at line 507 of file G4Molecule.cc.

{
    return fpMolecularConfiguration->GetDefinition();
}

GetDiffusionCoefficient() [1/2]

G4double G4Molecule::GetDiffusionCoefficient

(

)

const

Returns the diffusion coefficient D.

Definition at line 514 of file G4Molecule.cc.

{
    return fpMolecularConfiguration->GetDiffusionCoefficient();
}

Referenced by G4DNABrownianTransportation::AlongStepGetPhysicalInteractionLength(), G4DNABrownianTransportation::ComputeStep(), and G4DNAIRT::Sampling().

GetDiffusionCoefficient() [2/2]

G4double G4Molecule::GetDiffusionCoefficient	(	const G4Material *	pMaterial,
		double	temperature
	)		const

Returns the diffusion coefficient D.

Definition at line 521 of file G4Molecule.cc.

{
    return fpMolecularConfiguration->GetDiffusionCoefficient(pMaterial,
                                                             temperature);
}

GetDiffusionVelocity()

G4double G4Molecule::GetDiffusionVelocity

(

)

const

Definition at line 426 of file G4Molecule.cc.

{
    double moleculeMass = fpMolecularConfiguration->GetMass() / (c_squared);
 
    ////
    // Different possibilities
    ////
    // Ideal Gaz case : Maxwell Boltzmann Distribution
    //    double sigma = k_Boltzmann * fgTemperature / mass;
    //    return G4RandGauss::shoot( 0, sigma );
    ////
    // Ideal Gaz case : mean velocity from equipartition theorem
    return sqrt(3 * k_Boltzmann *
                G4MolecularConfiguration::GetGlobalTemperature() / moleculeMass);
    ////
    // Using this approximation for liquid is wrong
    // However the brownian process avoid taking
    // care of energy consideration and plays only
    // with positions
}

Referenced by GetKineticEnergy().

GetDissociationChannels()

const vector< const G4MolecularDissociationChannel * > * G4Molecule::GetDissociationChannels

(

)

const

Definition at line 451 of file G4Molecule.cc.

{
    return fpMolecularConfiguration->GetDissociationChannels();
}

GetElectronOccupancy()

const G4ElectronOccupancy * G4Molecule::GetElectronOccupancy

(

)

const

Returns the object ElectronOccupancy describing the electronic configuration of the molecule.

Definition at line 500 of file G4Molecule.cc.

{
    return fpMolecularConfiguration->GetElectronOccupancy();
}

GetFakeParticleID()

G4int G4Molecule::GetFakeParticleID

(

)

const

Definition at line 458 of file G4Molecule.cc.

{
    return fpMolecularConfiguration->GetFakeParticleID();
}

GetFormatedName()

const G4String & G4Molecule::GetFormatedName

(

)

const

Returns the formated name of the molecule

Definition at line 343 of file G4Molecule.cc.

{
    return fpMolecularConfiguration->GetFormatedName();
}

GetITSubType()

virtual G4ITType G4Molecule::GetITSubType ( ) const

inlinevirtual

Reimplemented from G4IT.

Definition at line 130 of file G4Molecule.hh.

    {
        return GetMoleculeID();
    }

GetKineticEnergy()

G4double G4Molecule::GetKineticEnergy

(

)

const

Definition at line 414 of file G4Molecule.cc.

{
    ////
    // Ideal Gaz case
    double v = GetDiffusionVelocity();
    double E = (fpMolecularConfiguration->GetMass() / (c_squared)) * (v * v) / 2.;
    ////
    return E;
}

Referenced by BuildTrack().

GetLabel()

const G4String & G4Molecule::GetLabel

(

)

const

Returns the label of the molecule configuration

Definition at line 537 of file G4Molecule.cc.

{
    return fpMolecularConfiguration->GetLabel();
}

GetMass()

G4double G4Molecule::GetMass

(

)

const

Returns the total mass of the molecule.

Definition at line 493 of file G4Molecule.cc.

{
    return fpMolecularConfiguration->GetMass();
}

GetMolecularConfiguration()

const G4MolecularConfiguration * G4Molecule::GetMolecularConfiguration

(

)

const

Definition at line 530 of file G4Molecule.cc.

{
    return fpMolecularConfiguration;
}

Referenced by G4DiffusionControlledReactionModel::GetTimeToEncounter(), G4DNAIRT::MakeReaction(), G4DNAMakeReaction::MakeReaction(), G4DNAMolecularReaction::MakeReaction(), G4DNAScavengerProcess::PostStepDoIt(), G4DNASecondOrderReaction::PostStepGetPhysicalInteractionLength(), G4DNAScavengerProcess::PostStepGetPhysicalInteractionLength(), G4DNAIRT::Sampling(), G4DNAMolecularReaction::TestReactibility(), G4DNAMakeReaction::UpdatePositionForReaction(), and G4DNAEventScheduler::Voxelizing().

GetMolecule()

G4Molecule * G4Molecule::GetMolecule ( const G4Track *  track )

static

Definition at line 88 of file G4Molecule.cc.

{
    return (G4Molecule*)(GetIT(track));
}

Referenced by G4DNAIRT::Sampling().

GetMoleculeID()

G4int G4Molecule::GetMoleculeID

(

)

const

Definition at line 465 of file G4Molecule.cc.

{
    return fpMolecularConfiguration->GetMoleculeID();
}

Referenced by GetITSubType(), and operator int().

GetName()

const G4String & G4Molecule::GetName ( ) const

virtual

Returns the name of the molecule

Implements G4IT.

Definition at line 336 of file G4Molecule.cc.

{
    return fpMolecularConfiguration->GetName();
}

Referenced by G4DNAIRTMoleculeEncounterStepper::CalculateStep(), G4DNAMoleculeEncounterStepper::CalculateStep(), G4DNAIndependentReactionTimeStepper::CalculateStep(), G4DNABrownianTransportation::ComputeStep(), G4DNABrownianTransportation::Diffusion(), G4DNASecondOrderReaction::PostStepDoIt(), G4DNAScavengerProcess::PostStepDoIt(), G4DNABrownianTransportation::PostStepDoIt(), G4DNAIndirectHit::Print(), and G4DNAMakeReaction::UpdatePositionForReaction().

GetNbElectrons()

G4double G4Molecule::GetNbElectrons

(

)

const

Returns the number of electron.

Definition at line 357 of file G4Molecule.cc.

{
    return fpMolecularConfiguration->GetNbElectrons();
}

GetVanDerVaalsRadius()

G4double G4Molecule::GetVanDerVaalsRadius

(

)

const

Definition at line 479 of file G4Molecule.cc.

{
    return fpMolecularConfiguration->GetVanDerVaalsRadius();
}

IonizeMolecule()

void G4Molecule::IonizeMolecule

(

G4int

ionizationLevel

)

Method used in Geant4-DNA to ionize water molecules

Definition at line 306 of file G4Molecule.cc.

{
    fpMolecularConfiguration = fpMolecularConfiguration->IonizeMolecule(ionizationLevel);
}

Referenced by G4DNAChemistryManager::CreateWaterMolecule().

ITDef()

G4Molecule::ITDef

(

G4Molecule

)

const

MoveOneElectron()

void G4Molecule::MoveOneElectron	(	G4int	orbitToFree,
		G4int	orbitToFill
	)

Move one electron from an orbit to another.

Definition at line 328 of file G4Molecule.cc.

{
    fpMolecularConfiguration =
        fpMolecularConfiguration->MoveOneElectron(orbitToFree, orbitToFill);
}

operator delete()

void G4Molecule::operator delete ( void *  aMolecule )

inline

Definition at line 313 of file G4Molecule.hh.

{
    aMoleculeAllocator()->FreeSingle((G4Molecule *)aMolecule);
}

operator int()

G4Molecule::operator int ( ) const

inline

Definition at line 125 of file G4Molecule.hh.

    {
        return GetMoleculeID();
    }

operator new()

void * G4Molecule::operator new ( size_t  )

inline

Definition at line 302 of file G4Molecule.hh.

{
    if (!aMoleculeAllocator())
    {
        aMoleculeAllocator() = new G4Allocator<G4Molecule>;
    }
    return (void *)aMoleculeAllocator()->MallocSingle();
}

operator!=()

G4bool G4Molecule::operator!=

(

const G4Molecule &

right

)

const

Definition at line 131 of file G4Molecule.cc.

{
    return !(*this == right);
}

operator<()

G4bool G4Molecule::operator<

(

const G4Molecule &

right

)

const

The two methods below are the most called of the simulation : compare molecules in the MoleculeStackManager or in the InteractionTable

Definition at line 142 of file G4Molecule.cc.

{
    return fpMolecularConfiguration < right.fpMolecularConfiguration;
}

operator=()

G4Molecule & G4Molecule::operator=

(

const G4Molecule &

right

)

Definition at line 111 of file G4Molecule.cc.

{
    if (&right == this) return *this;
    fpMolecularConfiguration = right.fpMolecularConfiguration;
    return *this;
}

operator==()

G4bool G4Molecule::operator==

(

const G4Molecule &

right

)

const

Definition at line 120 of file G4Molecule.cc.

{
    if (fpMolecularConfiguration == right.fpMolecularConfiguration)
    {
        return true;
    }
    return false;
}

PrintState()

void G4Molecule::PrintState

(

)

const

Show the electronic state of the molecule.

Definition at line 364 of file G4Molecule.cc.

{
    fpMolecularConfiguration->PrintState();
}

RemoveElectron()

void G4Molecule::RemoveElectron	(	G4int	orbit,
		G4int	number = 1
	)

Remove n electrons to a given orbit.

Definition at line 320 of file G4Molecule.cc.

{
    fpMolecularConfiguration =
        fpMolecularConfiguration->RemoveElectron(orbit, number);
}

SetDecayTime()

void G4Molecule::SetDecayTime

(

G4double

)

Set the decay time of the molecule.

SetDiffusionCoefficient()

void G4Molecule::SetDiffusionCoefficient

(

G4double

)

Sets the diffusion coefficient D of the molecule used in diffusion processes to calculate the mean square jump distance between two changes of direction. In three dimension : <x^2> = 6 D t where t is the mean jump time between two changes of direction.

SetElectronOccupancy()

void G4Molecule::SetElectronOccupancy

(

const G4ElectronOccupancy *

pElectronOcc

)

Will set up the correct molecularConfiguration given an electron configuration

Definition at line 290 of file G4Molecule.cc.

{
    fpMolecularConfiguration = 
        G4MolecularConfiguration::GetOrCreateMolecularConfiguration(fpMolecularConfiguration->GetDefinition(),
                                                                    *pElectronOcc);
}

SetLabel()

void G4Molecule::SetLabel

(

const G4String &

label

)

SetMass()

void G4Molecule::SetMass

(

G4double

)

Set the total mass of the molecule.

SetVanDerVaalsRadius()

void G4Molecule::SetVanDerVaalsRadius

(

G4double

)

The Van Der Valls Radius of the molecule

---

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

• G4Molecule.hh
• G4Molecule.cc