G4DNAWaterDissociationDisplacer Class Reference

#include <G4DNAWaterDissociationDisplacer.hh>

Inheritance diagram for G4DNAWaterDissociationDisplacer:

Public Member Functions
	G4DNAWaterDissociationDisplacer ()
G4ThreeVector	GetMotherMoleculeDisplacement (const G4MolecularDissociationChannel *) const override
std::vector< G4ThreeVector >	GetProductsDisplacement (const G4MolecularDissociationChannel *) const override
G4ThreeVector	radialDistributionOfElectron () const
G4ThreeVector	radialDistributionOfProducts (G4double r_rms) const
void	SetVerbose (G4int verbose)
virtual	~G4DNAWaterDissociationDisplacer ()

Static Public Member Functions
static G4double	ElectronProbaDistribution (G4double r)

Protected Attributes
G4int	fVerbose

Private Attributes
G4DNAModelSubType	dnaSubType
G4double	ke

Detailed Description

Definition at line 57 of file G4DNAWaterDissociationDisplacer.hh.

Constructor & Destructor Documentation

G4DNAWaterDissociationDisplacer()

A1B1_DissociationDecay B1A1_DissociationDecay2 DissociativeAttachment G4DNAWaterDissociationDisplacer::G4DNAWaterDissociationDisplacer

(

)

Definition at line 125 of file G4DNAWaterDissociationDisplacer.cc.

        :
        G4VMolecularDissociationDisplacer(),
        ke(1.7*eV)
/*#ifdef _WATER_DISPLACER_USE_KREIPL_
        fFastElectronDistrib(0., 5., 0.001)
#elif defined _WATER_DISPLACER_USE_TERRISOL_
        fFastElectronDistrib(0., 100., 0.001)
#endif*/
{/*
    fProba1DFunction =
            std::bind((G4double(*)(G4double))
                              &G4DNAWaterDissociationDisplacer::ElectronProbaDistribution,
                      std::placeholders::_1);
 
    size_t nBins = 500;
    fElectronThermalization.reserve(nBins);
    double eps = 1. / ((int) nBins);
    double proba = eps;
 
    fElectronThermalization.push_back(0.);
 
    for (size_t i = 1; i < nBins; ++i)
    {
        double r = fFastElectronDistrib.Revert(proba, fProba1DFunction);
        fElectronThermalization.push_back(r * nanometer);
        proba += eps;
//  G4cout << G4BestUnit(r*nanometer, "Length") << G4endl;
    }*/
    dnaSubType = G4EmParameters::Instance()->DNAeSolvationSubType();
//   SetVerbose(1);
}

References G4EmParameters::DNAeSolvationSubType(), and G4EmParameters::Instance().

~G4DNAWaterDissociationDisplacer()

G4DNAWaterDissociationDisplacer::~G4DNAWaterDissociationDisplacer ( )

virtual

Definition at line 160 of file G4DNAWaterDissociationDisplacer.cc.

{
    ;
}

Member Function Documentation

ElectronProbaDistribution()

static G4double G4DNAWaterDissociationDisplacer::ElectronProbaDistribution ( G4double  r )

static

GetMotherMoleculeDisplacement()

G4ThreeVector G4DNAWaterDissociationDisplacer::GetMotherMoleculeDisplacement ( const G4MolecularDissociationChannel *  theDecayChannel ) const

overridevirtual

Implements G4VMolecularDissociationDisplacer.

Definition at line 168 of file G4DNAWaterDissociationDisplacer.cc.

{
    G4int decayType = theDecayChannel->GetDisplacementType();
    G4double RMSMotherMoleculeDisplacement(0.);
 
    switch (decayType)
    {
        case Ionisation_DissociationDecay:
            RMSMotherMoleculeDisplacement = 2.0 * nanometer;
            break;
        case A1B1_DissociationDecay:
            RMSMotherMoleculeDisplacement = 0. * nanometer;
            break;
        case B1A1_DissociationDecay:
            RMSMotherMoleculeDisplacement = 0. * nanometer;
            break;
        case B1A1_DissociationDecay2:
            RMSMotherMoleculeDisplacement = 0. * nanometer;
            break;
        case AutoIonisation:
            RMSMotherMoleculeDisplacement = 2.0 * nanometer;
            break;
        case DissociativeAttachment:
            RMSMotherMoleculeDisplacement = 0. * nanometer;
            break;
    }
 
    if (RMSMotherMoleculeDisplacement == 0)
    {
        return G4ThreeVector(0, 0, 0);
    }
    auto RandDirection =
            radialDistributionOfProducts(RMSMotherMoleculeDisplacement);
 
    return RandDirection;
}

References G4MolecularDissociationChannel::GetDisplacementType(), nanometer, and radialDistributionOfProducts().

GetProductsDisplacement()

vector< G4ThreeVector > G4DNAWaterDissociationDisplacer::GetProductsDisplacement ( const G4MolecularDissociationChannel *  pDecayChannel ) const

overridevirtual

Implements G4VMolecularDissociationDisplacer.

Definition at line 210 of file G4DNAWaterDissociationDisplacer.cc.

{
    G4int nbProducts = pDecayChannel->GetNbProducts();
    vector<G4ThreeVector> theProductDisplacementVector(nbProducts);
 
    typedef map<const G4MoleculeDefinition*, G4double> RMSmap;
    RMSmap theRMSmap;
 
    G4int decayType = pDecayChannel->GetDisplacementType();
 
    switch (decayType)
    {
        case Ionisation_DissociationDecay:
        {
            if (fVerbose)
            {
                G4cout << "Ionisation_DissociationDecay" << G4endl;
                G4cout << "Channel's name: " << pDecayChannel->GetName() << 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++)
            {
                auto pProduct = pDecayChannel->GetProduct(i);
                G4double theRMSDisplacement = theRMSmap[pProduct->GetDefinition()];
 
                if (theRMSDisplacement == 0.)
                {
                    theProductDisplacementVector[i] = G4ThreeVector();
                }
                else
                {
                    auto RandDirection = radialDistributionOfProducts(theRMSDisplacement);
                    theProductDisplacementVector[i] = RandDirection;
                }
            }
            break;
        }
        case A1B1_DissociationDecay:
        {
            if (fVerbose)
            {
                G4cout << "A1B1_DissociationDecay" << G4endl;
                G4cout << "Channel's name: " << pDecayChannel->GetName() << G4endl;
            }
            G4double theRMSDisplacement = 2.4 * nanometer;
            auto RandDirection =
                    radialDistributionOfProducts(theRMSDisplacement);
 
            for (G4int i = 0; i < nbProducts; i++)
            {
                auto pProduct = pDecayChannel->GetProduct(i);
 
                if (pProduct->GetDefinition() == G4OH::Definition())
                {
                    theProductDisplacementVector[i] = -1. / 18. * RandDirection;
                }
                else if (pProduct->GetDefinition() == G4Hydrogen::Definition())
                {
                    theProductDisplacementVector[i] = +17. / 18. * RandDirection;
                }
            }
            break;
        }
        case B1A1_DissociationDecay:
        {
            if (fVerbose)
            {
                G4cout << "B1A1_DissociationDecay" << G4endl;
                G4cout << "Channel's name: " << pDecayChannel->GetName() << G4endl;
            }
 
            G4double theRMSDisplacement = 0.8 * nanometer;
            auto RandDirection =
                    radialDistributionOfProducts(theRMSDisplacement);
 
            G4int NbOfOH = 0;
            for (G4int i = 0; i < nbProducts; ++i)
            {
                auto pProduct = pDecayChannel->GetProduct(i);
                if (pProduct->GetDefinition() == G4H2::Definition())
                {
                    // In the paper of Kreipl (2009)
                    // theProductDisplacementVector[i] = -2. / 18. * RandDirection;
 
                    // Based on momentum conservation
                    theProductDisplacementVector[i] = -16. / 18. * RandDirection;
                }
                else if (pProduct->GetDefinition() == G4OH::Definition())
                {
                    // In the paper of Kreipl (2009)
                    // G4ThreeVector OxygenDisplacement = +16. / 18. * RandDirection;
 
                    // Based on momentum conservation
                    G4ThreeVector OxygenDisplacement = +2. / 18. * RandDirection;
                    G4double OHRMSDisplacement = 1.1 * nanometer;
 
                    auto OHDisplacement =
                            radialDistributionOfProducts(OHRMSDisplacement);
 
                    if (NbOfOH == 0)
                    {
                        OHDisplacement = 0.5 * OHDisplacement;
                    }
                    else
                    {
                        OHDisplacement = -0.5 * OHDisplacement;
                    }
 
                    theProductDisplacementVector[i] =
                            OHDisplacement + OxygenDisplacement;
 
                    ++NbOfOH;
                }
            }
            break;
        }
        case B1A1_DissociationDecay2:
        {
          if(fVerbose){
            G4cout<<"B1A1_DissociationDecay2"<<G4endl;
            G4cout<<"Channel's name: "<<pDecayChannel->GetName()<<G4endl;
          }
 
          G4int NbOfH = 0;
          for(G4int i =0; i < nbProducts; ++i)
          {
            auto pProduct = pDecayChannel->GetProduct(i);
            if(pProduct->GetDefinition() == G4Oxygen::Definition()){
            // O(3p)
            theProductDisplacementVector[i] = G4ThreeVector(0,0,0);
          }
          else if(pProduct->GetDefinition() == G4Hydrogen::Definition()){
            // H
            G4double HRMSDisplacement = 1.6 * nanometer;
 
            auto HDisplacement =
            radialDistributionOfProducts(HRMSDisplacement);
 
            if(NbOfH==0) HDisplacement = 0.5*HDisplacement;
            else HDisplacement = -0.5*HDisplacement;
            theProductDisplacementVector[i] = HDisplacement;
 
            ++NbOfH;
          }
        }
        break;
        }
        case AutoIonisation:
        {
            if (fVerbose)
            {
                G4cout << "AutoIonisation" << G4endl;
                G4cout << "Channel's name: " << pDecayChannel->GetName() << 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++)
            {
                auto pProduct = pDecayChannel->GetProduct(i);
                auto theRMSDisplacement = theRMSmap[pProduct->GetDefinition()];
 
                if (theRMSDisplacement == 0)
                {
                    theProductDisplacementVector[i] = G4ThreeVector();
                }
                else
                {
                    auto RandDirection =
                            radialDistributionOfProducts(theRMSDisplacement);
                    theProductDisplacementVector[i] = RandDirection;
                }
                if (pProduct->GetDefinition() == G4Electron_aq::Definition())
                {
                    theProductDisplacementVector[i] = radialDistributionOfElectron();
                }
            }
            break;
        }
        case DissociativeAttachment:
        {
            if (fVerbose)
            {
                G4cout << "DissociativeAttachment" << G4endl;
                G4cout << "Channel's name: " << pDecayChannel->GetName() << G4endl;
            }
            G4double theRMSDisplacement = 0.8 * nanometer;
            auto RandDirection =
                    radialDistributionOfProducts(theRMSDisplacement);
 
            G4int NbOfOH = 0;
            for (G4int i = 0; i < nbProducts; ++i)
            {
                auto pProduct = pDecayChannel->GetProduct(i);
                if (pProduct->GetDefinition() == G4H2::Definition())
                {
                    // In the paper of Kreipl (2009)
                    // theProductDisplacementVector[i] = -2. / 18. * RandDirection;
 
                    // Based on momentum conservation
                    theProductDisplacementVector[i] = -16. / 18. * RandDirection;
                }
                else if (pProduct->GetDefinition() == G4OH::Definition())
                {
                    // In the paper of Kreipl (2009)
                    // G4ThreeVector OxygenDisplacement = +16. / 18. * RandDirection;
 
                    // Based on momentum conservation
                    G4ThreeVector OxygenDisplacement = +2. / 18. * RandDirection;
                    G4double OHRMSDisplacement = 1.1 * nanometer;
 
                    auto OHDisplacement =
                            radialDistributionOfProducts(OHRMSDisplacement);
 
                    if (NbOfOH == 0)
                    {
                        OHDisplacement = 0.5 * OHDisplacement;
                    }
                    else
                    {
                        OHDisplacement = -0.5 * OHDisplacement;
                    }
                    theProductDisplacementVector[i] = OHDisplacement +
                                                      OxygenDisplacement;
                    ++NbOfOH;
                }
            }
            break;
        }
    }
    return theProductDisplacementVector;
}

References G4Electron_aq::Definition(), G4H2::Definition(), G4H3O::Definition(), G4Hydrogen::Definition(), G4OH::Definition(), G4Oxygen::Definition(), G4VMolecularDissociationDisplacer::fVerbose, G4cout, G4endl, G4UniformRand, G4MolecularDissociationChannel::GetDisplacementType(), G4MolecularDissociationChannel::GetName(), G4MolecularDissociationChannel::GetNbProducts(), G4MolecularDissociationChannel::GetProduct(), nanometer, radialDistributionOfElectron(), and radialDistributionOfProducts().

radialDistributionOfElectron()

G4ThreeVector G4DNAWaterDissociationDisplacer::radialDistributionOfElectron

(

)

const

Definition at line 492 of file G4DNAWaterDissociationDisplacer.cc.

{/*
    G4double rand_value = G4UniformRand();
    size_t nBins = fElectronThermalization.size();
    size_t bin = size_t(floor(rand_value * nBins));
    size_t bin_p1 = min(bin + 1, nBins - 1);
 
    return (fElectronThermalization[bin] * (1. - rand_value)
            + fElectronThermalization[bin_p1] * rand_value) *
           G4RandomDirection();*/
 
    G4ThreeVector pdf = G4ThreeVector(0,0,0);
 
    if(dnaSubType == fRitchie1994eSolvation) DNA::Penetration::Ritchie1994::GetPenetration(ke,pdf);
    else if(dnaSubType == fTerrisol1990eSolvation) DNA::Penetration::Terrisol1990::GetPenetration(ke,pdf);
    else if(dnaSubType == fMeesungnoensolid2002eSolvation) DNA::Penetration::Meesungnoen2002_amorphous::GetPenetration(ke,pdf);
    else if(dnaSubType == fKreipl2009eSolvation) DNA::Penetration::Kreipl2009::GetPenetration(ke,pdf);
    else DNA::Penetration::Meesungnoen2002::GetPenetration(ke,pdf);
 
    return pdf;
}

References dnaSubType, fKreipl2009eSolvation, fMeesungnoensolid2002eSolvation, fRitchie1994eSolvation, fTerrisol1990eSolvation, DNA::Penetration::Meesungnoen2002::GetPenetration(), DNA::Penetration::Meesungnoen2002_amorphous::GetPenetration(), DNA::Penetration::Kreipl2009::GetPenetration(), DNA::Penetration::Terrisol1990::GetPenetration(), DNA::Penetration::Ritchie1994::GetPenetration(), and ke.

Referenced by GetProductsDisplacement().

radialDistributionOfProducts()

G4ThreeVector G4DNAWaterDissociationDisplacer::radialDistributionOfProducts

(

G4double

r_rms

)

const

Definition at line 478 of file G4DNAWaterDissociationDisplacer.cc.

{
    static const double inverse_sqrt_3 = 1. / sqrt(3.);
    double sigma = Rrms * inverse_sqrt_3;
    double x = G4RandGauss::shoot(0., sigma);
    double y = G4RandGauss::shoot(0., sigma);
    double z = G4RandGauss::shoot(0., sigma);
    return G4ThreeVector(x, y, z);
}

References G4INCL::DeJongSpin::shoot().

Referenced by GetMotherMoleculeDisplacement(), and GetProductsDisplacement().

SetVerbose()

void G4VMolecularDissociationDisplacer::SetVerbose ( G4int  verbose )

inlineinherited

Definition at line 72 of file G4VMolecularDissociationDisplacer.hh.

    {
        fVerbose = verbose;
    }

References G4VMolecularDissociationDisplacer::fVerbose.

Field Documentation

dnaSubType

G4DNAModelSubType G4DNAWaterDissociationDisplacer::dnaSubType

private

Definition at line 84 of file G4DNAWaterDissociationDisplacer.hh.

Referenced by radialDistributionOfElectron().

fVerbose

G4int G4VMolecularDissociationDisplacer::fVerbose

protectedinherited

Definition at line 84 of file G4VMolecularDissociationDisplacer.hh.

Referenced by GetProductsDisplacement(), and G4VMolecularDissociationDisplacer::SetVerbose().

ke

G4double G4DNAWaterDissociationDisplacer::ke

private

Definition at line 83 of file G4DNAWaterDissociationDisplacer.hh.

Referenced by radialDistributionOfElectron().

---

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

• source/processes/electromagnetic/dna/processes/include/G4DNAWaterDissociationDisplacer.hh
• source/processes/electromagnetic/dna/processes/src/G4DNAWaterDissociationDisplacer.cc