G4DNAWaterDissociationDisplacer Class Reference

#include <G4DNAWaterDissociationDisplacer.hh>

Inheritance diagram for G4DNAWaterDissociationDisplacer:

Public Member Functions
	G4DNAWaterDissociationDisplacer ()
virtual	~G4DNAWaterDissociationDisplacer ()
virtual std::vector < G4ThreeVector >	GetProductsDisplacement (const G4MolecularDecayChannel *) const
virtual G4ThreeVector	GetMotherMoleculeDisplacement (const G4MolecularDecayChannel *) const
G4ThreeVector	radialDistributionOfElectron () const
Public Member Functions inherited from G4VMolecularDecayDisplacer
void	SetVerbose (G4int)
virtual	~G4VMolecularDecayDisplacer ()

Static Public Attributes
static G4DLLIMPORT const DisplacementType	Ionisation_DissociationDecay = G4VMolecularDecayDisplacer::AddDisplacement()
static G4DLLIMPORT const DisplacementType	A1B1_DissociationDecay = G4VMolecularDecayDisplacer::AddDisplacement()
static G4DLLIMPORT const DisplacementType	B1A1_DissociationDecay = G4VMolecularDecayDisplacer::AddDisplacement()
static G4DLLIMPORT const DisplacementType	AutoIonisation = G4VMolecularDecayDisplacer::AddDisplacement()
static G4DLLEXPORT const DisplacementType	DissociativeAttachment = G4VMolecularDecayDisplacer::AddDisplacement()
Static Public Attributes inherited from G4VMolecularDecayDisplacer
static G4DLLIMPORT const DisplacementType	NoDisplacement = G4VMolecularDecayDisplacer::AddDisplacement()

Additional Inherited Members
Protected Member Functions inherited from G4VMolecularDecayDisplacer
	G4VMolecularDecayDisplacer ()
Static Protected Member Functions inherited from G4VMolecularDecayDisplacer
static DisplacementType	AddDisplacement ()
Protected Attributes inherited from G4VMolecularDecayDisplacer
G4int	fVerbose
Static Protected Attributes inherited from G4VMolecularDecayDisplacer
static DisplacementType *	Last = 0

Detailed Description

Definition at line 45 of file G4DNAWaterDissociationDisplacer.hh.

Constructor & Destructor Documentation

G4DNAWaterDissociationDisplacer::G4DNAWaterDissociationDisplacer

(

)

Definition at line 60 of file G4DNAWaterDissociationDisplacer.cc.

                                                                 :
    G4VMolecularDecayDisplacer()
{;}

G4DNAWaterDissociationDisplacer::~G4DNAWaterDissociationDisplacer ( )

virtual

Definition at line 64 of file G4DNAWaterDissociationDisplacer.cc.

{;}

Member Function Documentation

G4ThreeVector G4DNAWaterDissociationDisplacer::GetMotherMoleculeDisplacement ( const G4MolecularDecayChannel *  theDecayChannel ) const

virtual

Implements G4VMolecularDecayDisplacer.

Definition at line 67 of file G4DNAWaterDissociationDisplacer.cc.

References A1B1_DissociationDecay, AutoIonisation, B1A1_DissociationDecay, DissociativeAttachment, Ionisation_DissociationDecay, and python.hepunit::nanometer.

{
    G4int decayType = theDecayChannel -> GetDisplacementType();

    G4double RMSMotherMoleculeDisplacement=0;

    if(decayType == Ionisation_DissociationDecay)
    {
        RMSMotherMoleculeDisplacement =  2.0 * nanometer ;
    }
    else if(decayType == A1B1_DissociationDecay)
    {
        RMSMotherMoleculeDisplacement = 0. * nanometer ;
    }
    else if(decayType == B1A1_DissociationDecay)
    {
        RMSMotherMoleculeDisplacement = 0. * nanometer ;
    }
    else if(decayType == AutoIonisation)
    {
        RMSMotherMoleculeDisplacement = 2.0 * nanometer ;
    }
    else if(decayType == DissociativeAttachment)
    {
        RMSMotherMoleculeDisplacement = 0. * nanometer ;
    }

    if(RMSMotherMoleculeDisplacement==0)
    {
        return G4ThreeVector(0,0,0);
    }
    G4ThreeVector RandDirection = radialDistributionOfProducts(RMSMotherMoleculeDisplacement);

    return RandDirection;
}

vector< G4ThreeVector > G4DNAWaterDissociationDisplacer::GetProductsDisplacement ( const G4MolecularDecayChannel *  theDecayChannel ) const

virtual

Implements G4VMolecularDecayDisplacer.

Definition at line 105 of file G4DNAWaterDissociationDisplacer.cc.

References A1B1_DissociationDecay, AutoIonisation, B1A1_DissociationDecay, G4H3O::Definition(), G4Electron_aq::Definition(), G4OH::Definition(), G4Hydrogen::Definition(), G4H2::Definition(), DissociativeAttachment, G4VMolecularDecayDisplacer::fVerbose, G4cout, G4endl, G4UniformRand, G4Molecule::GetDefinition(), G4MolecularDecayChannel::GetProduct(), Ionisation_DissociationDecay, python.hepunit::nanometer, and radialDistributionOfElectron().

{
    G4int nbProducts = theDecayChannel -> GetNbProducts();
    vector<G4ThreeVector> theProductDisplacementVector (nbProducts);

    typedef map<const G4MoleculeDefinition*,G4double> RMSmap ;
    RMSmap theRMSmap;

    G4int decayType = theDecayChannel -> GetDisplacementType();

    if(decayType == Ionisation_DissociationDecay)
    {
        if(fVerbose)
            G4cout<<"Ionisation_DissociationDecay"<<G4endl;
        G4double RdmValue = G4UniformRand();

        if(RdmValue< 0.5)
        {
            // H3O
            theRMSmap[G4H3O::Definition()] = 0.* nanometer;
            // OH
            theRMSmap[G4OH::Definition()] = 0.8* nanometer;
        }
        else
        {
            // H3O
            theRMSmap[G4H3O::Definition()] = 0.8* nanometer;
            // OH
            theRMSmap[G4OH::Definition()] = 0.* nanometer;
        }

        for(int i = 0; i < nbProducts ; i++)
        {
            G4double theRMSDisplacement;
            const G4Molecule* product = theDecayChannel->GetProduct(i);
            theRMSDisplacement = theRMSmap[product->GetDefinition()];

            if(theRMSDisplacement==0)
            {
                theProductDisplacementVector[i] = G4ThreeVector();
            }
            else
            {
                G4ThreeVector RandDirection = radialDistributionOfProducts(theRMSDisplacement);
                theProductDisplacementVector[i] = RandDirection;
            }
        }
    }
    else if(decayType == A1B1_DissociationDecay)
    {
        if(fVerbose)
            G4cout<<"A1B1_DissociationDecay"<<G4endl;
        G4double theRMSDisplacement = 2.4 * nanometer;
        G4ThreeVector RandDirection = radialDistributionOfProducts(theRMSDisplacement);

        for(G4int i =0 ; i < nbProducts ; i++)
        {
            const G4Molecule* product = theDecayChannel->GetProduct(i);
            if(product->GetDefinition()== G4OH::Definition())
            {
                theProductDisplacementVector[i] = -1./18.*RandDirection;
            }
            else if(product->GetDefinition() == G4Hydrogen::Definition())
            {
                theProductDisplacementVector[i] = +17./18.*RandDirection;
            }
        }
    }
    else if(decayType == B1A1_DissociationDecay)
    {
        if(fVerbose)
            G4cout<<"B1A1_DissociationDecay"<<G4endl;
        G4double theRMSDisplacement = 0.8 * nanometer;
        G4ThreeVector RandDirection = radialDistributionOfProducts(theRMSDisplacement);

        G4int NbOfOH = 0;
        for(G4int i =0 ; i < nbProducts ; i++)
        {
            const G4Molecule* product = theDecayChannel->GetProduct(i);
            if(product->GetDefinition() == G4H2::Definition())
            {
                theProductDisplacementVector[i] = -2./18.*RandDirection;
            }
            else if(product->GetDefinition() == G4OH::Definition())
            {
                G4ThreeVector OxygenDisplacement = +16./18.*RandDirection;
                G4double OHRMSDisplacement = 1.1 * nanometer;

                G4ThreeVector OHDisplacement = radialDistributionOfProducts(OHRMSDisplacement) ;

                if(NbOfOH==0)
                {
                    OHDisplacement = 1./2.*OHDisplacement;
                }
                else
                {
                    OHDisplacement = -1./2.*OHDisplacement;
                }

                theProductDisplacementVector[i]  = OHDisplacement + OxygenDisplacement;

                NbOfOH ++;
            }
        }
    }
    else if(decayType == AutoIonisation)
    {
        if(fVerbose)
            G4cout<<"AutoIonisation"<<G4endl;
        G4double RdmValue = G4UniformRand();

        if(RdmValue< 0.5)
        {
            // H3O
            theRMSmap[G4H3O::Definition()] = 0.* nanometer;
            // OH
            theRMSmap[G4OH::Definition()] = 0.8* nanometer;
        }
        else
        {
            // H3O
            theRMSmap[G4H3O::Definition()] = 0.8* nanometer;
            // OH
            theRMSmap[G4OH::Definition()] = 0.* nanometer;
        }

        for(G4int i =0 ; i < nbProducts ; i++)
        {
            G4double theRMSDisplacement;
            const G4Molecule* product = theDecayChannel->GetProduct(i);
            theRMSDisplacement = theRMSmap[product->GetDefinition()];

            if(theRMSDisplacement==0)
            {
                theProductDisplacementVector[i] = G4ThreeVector();
            }
            else
            {
                G4ThreeVector RandDirection = radialDistributionOfProducts(theRMSDisplacement);
                theProductDisplacementVector[i] = RandDirection;
            }
            if(product->GetDefinition() == G4Electron_aq::Definition())
            {
                theProductDisplacementVector[i]=radialDistributionOfElectron();
            }
        }
    }
    else if(decayType == DissociativeAttachment)
    {
        if(fVerbose)
            G4cout<<"DissociativeAttachment"<<G4endl;
        G4double theRMSDisplacement = 0.8 * nanometer;
        G4ThreeVector RandDirection = radialDistributionOfProducts(theRMSDisplacement);

        G4int NbOfOH = 0;
        for(G4int i =0 ; i < nbProducts ; i++)
        {
            const G4Molecule* product = theDecayChannel->GetProduct(i);
            if(product->GetDefinition() == G4H2::Definition())
            {
                theProductDisplacementVector[i] = -2./18.*RandDirection;
            }
            else if(product->GetDefinition() == G4OH::Definition())
            {
                G4ThreeVector OxygenDisplacement = +16./18.*RandDirection;
                G4double OHRMSDisplacement = 1.1 * nanometer;

                G4ThreeVector OHDisplacement = radialDistributionOfProducts(OHRMSDisplacement) ;

                if(NbOfOH==0)
                {
                    OHDisplacement = 1./2.*OHDisplacement;
                }
                else
                {
                    OHDisplacement = -1./2.*OHDisplacement;
                }

                theProductDisplacementVector[i]  = OHDisplacement + OxygenDisplacement;

                NbOfOH ++;
            }
        }
    }

    return theProductDisplacementVector;
}

G4ThreeVector G4DNAWaterDissociationDisplacer::radialDistributionOfElectron

(

)

const

Definition at line 345 of file G4DNAWaterDissociationDisplacer.cc.

References G4UniformRand, python.hepunit::nanometer, python.hepunit::pi, and G4INCL::Math::sign().

Referenced by GetProductsDisplacement().

{

    G4double sigma = 1./2.;
    G4double expectationValue = 1. ;

    G4double XValueForfMax = 1./2.;
    G4double fMaxValue = 4. * XValueForfMax *
            exp(-2. * XValueForfMax);

    G4double R(-1.);

    do
    {
        G4double aRandomfValue = fMaxValue*G4UniformRand();

        G4double sign;
        if(G4UniformRand() > 0.5)
        {
            sign = +1;
        }
        else
        {
            sign = -1;
        }

        R = (expectationValue * G4UniformRand() )+ sign*3*sigma* G4UniformRand();
        G4double f = 4* R * exp(- 2. * R);

        if(aRandomfValue < f)
        {
            break;
        }
    }
    while(1);

    G4double Rnano = R *10* nanometer;

    G4double costheta = (2*G4UniformRand()-1);
    G4double theta = acos (costheta);
    G4double phi = 2*pi*G4UniformRand();

    G4double xDirection = Rnano*cos(phi)* sin(theta);
    G4double yDirection = Rnano*sin(theta)*sin(phi);
    G4double zDirection = Rnano*costheta;
    G4ThreeVector RandDirection(xDirection, yDirection, zDirection);

    return RandDirection;
}

Field Documentation

const DisplacementType G4DNAWaterDissociationDisplacer::A1B1_DissociationDecay = G4VMolecularDecayDisplacer::AddDisplacement()

static

Definition at line 63 of file G4DNAWaterDissociationDisplacer.hh.

Referenced by GetMotherMoleculeDisplacement(), and GetProductsDisplacement().

const DisplacementType G4DNAWaterDissociationDisplacer::AutoIonisation = G4VMolecularDecayDisplacer::AddDisplacement()

static

Definition at line 65 of file G4DNAWaterDissociationDisplacer.hh.

Referenced by GetMotherMoleculeDisplacement(), and GetProductsDisplacement().

const DisplacementType G4DNAWaterDissociationDisplacer::B1A1_DissociationDecay = G4VMolecularDecayDisplacer::AddDisplacement()

static

Definition at line 64 of file G4DNAWaterDissociationDisplacer.hh.

Referenced by GetMotherMoleculeDisplacement(), and GetProductsDisplacement().

const DisplacementType G4DNAWaterDissociationDisplacer::DissociativeAttachment = G4VMolecularDecayDisplacer::AddDisplacement()

static

Definition at line 66 of file G4DNAWaterDissociationDisplacer.hh.

Referenced by GetMotherMoleculeDisplacement(), and GetProductsDisplacement().

const DisplacementType G4DNAWaterDissociationDisplacer::Ionisation_DissociationDecay = G4VMolecularDecayDisplacer::AddDisplacement()

static

Definition at line 62 of file G4DNAWaterDissociationDisplacer.hh.

Referenced by GetMotherMoleculeDisplacement(), and GetProductsDisplacement().

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

• G4DNAWaterDissociationDisplacer.hh
• G4DNAWaterDissociationDisplacer.cc