#include <G4DNAMolecularReactionTable.hh>

Public Types
typedef std::function< double(double)>	RateParam

using	Reactant = const G4MolecularConfiguration

using	ReactantPair = std::pair< Reactant , Reactant >

using	ReactionProducts = std::vector< Reactant * >

Public Member Functions
void	AddProduct (const G4String &molecule)

void	AddProduct (Reactant *molecule)

	G4DNAMolecularReactionData (G4double reactionRate, const G4MolecularConfiguration reactive1, const G4MolecularConfiguration reactive2)

	G4DNAMolecularReactionData (G4double reactionRate, const G4String &reactive1, const G4String &reactive2)

G4double	GetActivationRateConstant () const

G4double	GetDiffusionRateConstant () const

G4double	GetEffectiveReactionRadius () const

G4int	GetNbProducts () const

G4double	GetObservedReactionRateConstant () const

G4double	GetOnsagerRadius () const

G4double	GetProbability () const

Reactant *	GetProduct (G4int i) const

const ReactionProducts *	GetProducts () const

Reactant *	GetReactant1 () const

Reactant *	GetReactant2 () const

ReactantPair	GetReactants ()

int	GetReactionID () const

G4double	GetReactionRadius () const

G4int	GetReactionType () const

void	RemoveProducts ()

void	ScaleForNewTemperature (double temp_K)

void	SetArrehniusParameterization (double A0, double E_R)

void	SetEffectiveReactionRadius (G4double radius)

void	SetObservedReactionRateConstant (G4double rate)

void	SetPolynomialParameterization (const std::vector< double > &P)

void	SetProbability (G4double prob)

void	SetReactant1 (const G4String &reactive)

void	SetReactant1 (Reactant *reactive)

void	SetReactant2 (const G4String &reactive)

void	SetReactant2 (Reactant *reactive)

void	SetReactants (const G4String &reactive1, const G4String &reactive2)

void	SetReactants (Reactant reactive1, Reactant reactive2)

void	SetReactionID (int ID)

void	SetReactionRadius (G4double radius)

void	SetReactionType (G4int type)

void	SetScaledParameterization (double temperature_K, double rateCste)

	~G4DNAMolecularReactionData ()

Static Public Member Functions
static double	ArrehniusParam (double temp_K, std::vector< double > P)

static double	PolynomialParam (double temp_K, std::vector< double > P)

static double	ScaledParameterization (double temp_K, double temp_init, double rateCste_init)

Protected Member Functions
	G4DNAMolecularReactionData ()

Private Member Functions
void	ComputeEffectiveRadius ()

Detailed Description

G4DNAMolecularReactionData contains the information relative to a given reaction (eg : °OH + °OH -> H2O2)

Definition at line 65 of file G4DNAMolecularReactionTable.hh.

Member Typedef Documentation

◆ RateParam

typedef std::function<double(double)> G4DNAMolecularReactionData::RateParam

Definition at line 130 of file G4DNAMolecularReactionTable.hh.

◆ Reactant

using G4DNAMolecularReactionData::Reactant = const G4MolecularConfiguration

Definition at line 79 of file G4DNAMolecularReactionTable.hh.

◆ ReactantPair

using G4DNAMolecularReactionData::ReactantPair = std::pair<Reactant*, Reactant*>

Definition at line 80 of file G4DNAMolecularReactionTable.hh.

◆ ReactionProducts

using G4DNAMolecularReactionData::ReactionProducts = std::vector<Reactant*>

Definition at line 81 of file G4DNAMolecularReactionTable.hh.

Constructor & Destructor Documentation

◆ G4DNAMolecularReactionData() [1/3]

G4DNAMolecularReactionData::G4DNAMolecularReactionData	(	G4double	reactionRate,
		const G4MolecularConfiguration *	reactive1,
		const G4MolecularConfiguration *	reactive2
	)

◆ G4DNAMolecularReactionData() [2/3]

G4DNAMolecularReactionData::G4DNAMolecularReactionData	(	G4double	reactionRate,
		const G4String &	reactive1,
		const G4String &	reactive2
	)

Definition at line 89 of file G4DNAMolecularReactionTable.cc.

    : fpReactant1(nullptr)
    , fpReactant2(nullptr)
    , fObservedReactionRate(reactionRate)
    , fActivationRate(0.)
    , fDiffusionRate(0.)
    , fOnsagerRadius(0.)
    , fReactionRadius(0.)
    , fEffectiveReactionRadius(0.)
    , fProbability(0.)
    , fType(0)
    , fReactionID(0)
{
    SetReactant1(reactant1);
    SetReactant2(reactant2);
    ComputeEffectiveRadius();
}

References ComputeEffectiveRadius(), SetReactant1(), and SetReactant2().

◆ ~G4DNAMolecularReactionData()

G4DNAMolecularReactionData::~G4DNAMolecularReactionData ( )

Definition at line 109 of file G4DNAMolecularReactionTable.cc.

{
     fProducts.clear();
}

References fProducts.

◆ G4DNAMolecularReactionData() [3/3]

G4DNAMolecularReactionData::G4DNAMolecularReactionData ( )

protected

Definition at line 56 of file G4DNAMolecularReactionTable.cc.

    : fpReactant1(nullptr)
    , fpReactant2(nullptr)
    , fObservedReactionRate(0.)
    , fActivationRate(0.)
    , fDiffusionRate(0.)
    , fOnsagerRadius(0.)
    , fReactionRadius(0.)
    , fEffectiveReactionRadius(0.)
    , fProbability(0.)
    , fType(0)
    , fReactionID(0)
{
}

Member Function Documentation

◆ AddProduct() [1/2]

void G4DNAMolecularReactionData::AddProduct ( const G4String & molecule )

Definition at line 315 of file G4DNAMolecularReactionTable.cc.

{
    fProducts.push_back(G4MoleculeTable::Instance()->GetConfiguration(molecule));
}

References fProducts, and G4MoleculeTable::Instance().

◆ AddProduct() [2/2]

void G4DNAMolecularReactionData::AddProduct ( Reactant * molecule )

Definition at line 164 of file G4DNAMolecularReactionTable.cc.

{
    fProducts.push_back(pMolecule);
}

References fProducts.

Referenced by G4EmDNAChemistry_option2::ConstructReactionTable(), G4EmDNAChemistry::ConstructReactionTable(), G4EmDNAChemistry_option1::ConstructReactionTable(), G4EmDNAChemistry_option3::ConstructReactionTable(), and G4ReactionTableMessenger::SetNewValue().

◆ ArrehniusParam()

double G4DNAMolecularReactionData::ArrehniusParam	(	double	temp_K,
		std::vector< double >	P
	)

static

Definition at line 330 of file G4DNAMolecularReactionTable.cc.

{
    return P[0] * G4Exp(P[1] / temp_K)*
        (1e-3 * CLHEP::m3 / (CLHEP::mole * CLHEP::s));
}

References G4Exp(), CLHEP::m3, CLHEP::mole, P, and CLHEP::s.

Referenced by SetArrehniusParameterization().

◆ ComputeEffectiveRadius()

void G4DNAMolecularReactionData::ComputeEffectiveRadius ( )

private

Definition at line 114 of file G4DNAMolecularReactionTable.cc.

{
    G4double sumDiffCoeff = 0.;
 
    if (fpReactant1 == fpReactant2)
    {
        sumDiffCoeff = fpReactant1->GetDiffusionCoefficient();
        fEffectiveReactionRadius = fObservedReactionRate / (4. * CLHEP::pi * sumDiffCoeff * CLHEP::Avogadro);
    }
    else
    {
        sumDiffCoeff = fpReactant1->GetDiffusionCoefficient()
                     + fpReactant2->GetDiffusionCoefficient();
        fEffectiveReactionRadius = fObservedReactionRate / (4. * CLHEP::pi * sumDiffCoeff * CLHEP::Avogadro);
    }
 
    fReactionID = 0;
    fReactionRadius = fEffectiveReactionRadius;
    fOnsagerRadius = (fpReactant1->GetCharge() * fpReactant2->GetCharge())/(4*pi*epsilon0*k_Boltzmann) / (293.15 * 80.1) ;
    fProbability = 1;
 
}

References CLHEP::Avogadro, source.hepunit::epsilon0, fEffectiveReactionRadius, fObservedReactionRate, fOnsagerRadius, fpReactant1, fpReactant2, fProbability, fReactionID, fReactionRadius, G4MolecularConfiguration::GetCharge(), G4MolecularConfiguration::GetDiffusionCoefficient(), source.hepunit::k_Boltzmann, CLHEP::pi, and pi.

Referenced by G4DNAMolecularReactionData().

◆ GetActivationRateConstant()

G4double G4DNAMolecularReactionData::GetActivationRateConstant ( ) const

Definition at line 229 of file G4DNAMolecularReactionTable.cc.

{
    return fActivationRate;
}

References fActivationRate.

◆ GetDiffusionRateConstant()

G4double G4DNAMolecularReactionData::GetDiffusionRateConstant ( ) const

Definition at line 234 of file G4DNAMolecularReactionTable.cc.

{
    return fDiffusionRate;
}

References fDiffusionRate.

◆ GetEffectiveReactionRadius()

G4double G4DNAMolecularReactionData::GetEffectiveReactionRadius ( ) const

Definition at line 255 of file G4DNAMolecularReactionTable.cc.

{
    return fEffectiveReactionRadius;
}

References fEffectiveReactionRadius.

Referenced by G4DNASmoluchowskiReactionModel::GetReactionRadius(), and G4DNAGillespieDirectMethod::PropensityFunction().

◆ GetNbProducts()

G4int G4DNAMolecularReactionData::GetNbProducts ( ) const

Definition at line 169 of file G4DNAMolecularReactionTable.cc.

{
    return fProducts.size();
}

References fProducts.

Referenced by G4DNAMakeReaction::MakeReaction(), G4DNAMolecularReaction::MakeReaction(), G4DNAMolecularReactionTable::PrintTable(), and G4DNAUpdateSystemModel::UpdateSystem().

◆ GetObservedReactionRateConstant()

G4double G4DNAMolecularReactionData::GetObservedReactionRateConstant ( ) const

Definition at line 224 of file G4DNAMolecularReactionTable.cc.

{
    return fObservedReactionRate;
}

References fObservedReactionRate.

Referenced by G4DNAPartiallyDiffusionControlled::GetTimeToEncounter(), G4DNATotallyDiffusionControlled::GetTimeToEncounter(), G4DNAMolecularReactionTable::PrintTable(), G4DNAGillespieDirectMethod::PropensityFunction(), and G4DNAIRT::Sampling().

◆ GetOnsagerRadius()

G4double G4DNAMolecularReactionData::GetOnsagerRadius ( ) const

Definition at line 260 of file G4DNAMolecularReactionTable.cc.

{
    return fOnsagerRadius;
}

References fOnsagerRadius.

◆ GetProbability()

G4double G4DNAMolecularReactionData::GetProbability ( ) const

Definition at line 265 of file G4DNAMolecularReactionTable.cc.

{
    return fProbability;
}

References fProbability.

◆ GetProduct()

G4DNAMolecularReactionData::Reactant * G4DNAMolecularReactionData::GetProduct ( G4int i ) const

Definition at line 174 of file G4DNAMolecularReactionTable.cc.

{
    return fProducts[i];
}

References fProducts.

Referenced by G4DNAMolecularReactionTable::PrintTable(), and G4DNAUpdateSystemModel::UpdateSystem().

◆ GetProducts()

const G4DNAMolecularReactionData::ReactionProducts * G4DNAMolecularReactionData::GetProducts ( ) const

Definition at line 179 of file G4DNAMolecularReactionTable.cc.

{
    return &fProducts;
}

References fProducts.

◆ GetReactant1()

G4DNAMolecularReactionData::Reactant * G4DNAMolecularReactionData::GetReactant1 ( ) const

Definition at line 209 of file G4DNAMolecularReactionTable.cc.

{
    return fpReactant1;
}

References fpReactant1.

Referenced by G4DNAGillespieDirectMethod::PropensityFunction(), G4DNAMolecularReactionTable::SetReaction(), G4DNAScavengerProcess::SetReaction(), and G4DNAUpdateSystemModel::UpdateSystem().

◆ GetReactant2()

G4DNAMolecularReactionData::Reactant * G4DNAMolecularReactionData::GetReactant2 ( ) const

Definition at line 214 of file G4DNAMolecularReactionTable.cc.

{
    return fpReactant2;
}

References fpReactant2.

Referenced by G4DNAGillespieDirectMethod::PropensityFunction(), G4DNAIRT_geometries::Sampling(), G4DNAMolecularReactionTable::SetReaction(), G4DNAScavengerProcess::SetReaction(), and G4DNAUpdateSystemModel::UpdateSystem().

◆ GetReactants()

G4DNAMolecularReactionData::ReactantPair G4DNAMolecularReactionData::GetReactants ( )

Definition at line 204 of file G4DNAMolecularReactionTable.cc.

{
    return std::make_pair(fpReactant1, fpReactant2);
}

References fpReactant1, and fpReactant2.

◆ GetReactionID()

int G4DNAMolecularReactionData::GetReactionID ( ) const

Definition at line 137 of file G4DNAMolecularReactionTable.cc.

{
    return fReactionID;
}

References fReactionID.

Referenced by G4DNAIndependentReactionTimeStepper::GetReactionType().

◆ GetReactionRadius()

G4double G4DNAMolecularReactionData::GetReactionRadius ( ) const

Definition at line 245 of file G4DNAMolecularReactionTable.cc.

{
    return fReactionRadius;
}

References fReactionRadius.

◆ GetReactionType()

G4int G4DNAMolecularReactionData::GetReactionType ( ) const

Definition at line 310 of file G4DNAMolecularReactionTable.cc.

{
    return fType;
}

References fType.

Referenced by G4DNAIRT::GetIndependentReactionTime(), and G4DNAIRT_geometries::GetIndependentReactionTime().

◆ PolynomialParam()

double G4DNAMolecularReactionData::PolynomialParam	(	double	temp_K,
		std::vector< double >	P
	)

static

Definition at line 320 of file G4DNAMolecularReactionTable.cc.

{
    double inv_temp = 1. / temp_K;
 
    return pow(10,
               P[0] + P[1] * inv_temp + P[2] * pow(inv_temp, 2)
               + P[3] * pow(inv_temp, 3) + P[4] * pow(inv_temp, 4))
        * (1e-3 * CLHEP::m3 / (CLHEP::mole * CLHEP::s));
}

References CLHEP::m3, CLHEP::mole, P, and CLHEP::s.

Referenced by SetPolynomialParameterization().

◆ RemoveProducts()

void G4DNAMolecularReactionData::RemoveProducts ( )

Definition at line 184 of file G4DNAMolecularReactionTable.cc.

{
    fProducts.clear();
}

References fProducts.

◆ ScaledParameterization()

double G4DNAMolecularReactionData::ScaledParameterization	(	double	temp_K,
		double	temp_init,
		double	rateCste_init
	)

static

Definition at line 336 of file G4DNAMolecularReactionTable.cc.

{
    double D0 = G4MolecularConfiguration::DiffCoeffWater(temp_init);
    double Df = G4MolecularConfiguration::DiffCoeffWater(temp_K);
    return Df * rateCste_init / D0;
}

References G4MolecularConfiguration::DiffCoeffWater().

Referenced by SetScaledParameterization().

◆ ScaleForNewTemperature()

void G4DNAMolecularReactionData::ScaleForNewTemperature ( double temp_K )

Definition at line 807 of file G4DNAMolecularReactionTable.cc.

{
    if (fRateParam)
    {
        SetObservedReactionRateConstant(fRateParam(temp_K));
    }
}

References fRateParam, and SetObservedReactionRateConstant().

◆ SetArrehniusParameterization()

void G4DNAMolecularReactionData::SetArrehniusParameterization	(	double	A0,
		double	E_R
	)

Definition at line 777 of file G4DNAMolecularReactionTable.cc.

{
    std::vector<double> P = { A0, E_R };
    fRateParam = std::bind(ArrehniusParam, std::placeholders::_1, P);
}

References ArrehniusParam(), fRateParam, and P.

Referenced by G4ReactionTableMessenger::SetNewValue().

◆ SetEffectiveReactionRadius()

void G4DNAMolecularReactionData::SetEffectiveReactionRadius ( G4double radius )

Definition at line 250 of file G4DNAMolecularReactionTable.cc.

{
    fEffectiveReactionRadius = radius;
}

References fEffectiveReactionRadius.

Referenced by G4EmDNAChemistry_option2::ConstructReactionTable().

◆ SetObservedReactionRateConstant()

void G4DNAMolecularReactionData::SetObservedReactionRateConstant ( G4double rate )

Definition at line 219 of file G4DNAMolecularReactionTable.cc.

{
    fObservedReactionRate = rate;
}

References fObservedReactionRate.

Referenced by ScaleForNewTemperature(), and G4ReactionTableMessenger::SetNewValue().

◆ SetPolynomialParameterization()

void G4DNAMolecularReactionData::SetPolynomialParameterization ( const std::vector< double > & P )

Definition at line 770 of file G4DNAMolecularReactionTable.cc.

{
    fRateParam = std::bind(PolynomialParam, std::placeholders::_1, P);
}

References fRateParam, P, and PolynomialParam().

Referenced by G4ReactionTableMessenger::SetNewValue().

◆ SetProbability()

void G4DNAMolecularReactionData::SetProbability ( G4double prob )

Definition at line 270 of file G4DNAMolecularReactionTable.cc.

{
    fProbability = prob;
}

References fProbability.

◆ SetReactant1() [1/2]

void G4DNAMolecularReactionData::SetReactant1 ( const G4String & reactive )

Definition at line 189 of file G4DNAMolecularReactionTable.cc.

{
    fpReactant1 = G4MoleculeTable::Instance()->GetConfiguration(reactive);
}

References fpReactant1, G4MoleculeTable::GetConfiguration(), and G4MoleculeTable::Instance().

◆ SetReactant1() [2/2]

void G4DNAMolecularReactionData::SetReactant1 ( Reactant * reactive )

Definition at line 147 of file G4DNAMolecularReactionTable.cc.

{
    fpReactant1 = pReactive;
}

References fpReactant1.

Referenced by G4DNAMolecularReactionData().

◆ SetReactant2() [1/2]

void G4DNAMolecularReactionData::SetReactant2 ( const G4String & reactive )

Definition at line 193 of file G4DNAMolecularReactionTable.cc.

{
    fpReactant2 = G4MoleculeTable::Instance()->GetConfiguration(reactive);
}

References fpReactant2, G4MoleculeTable::GetConfiguration(), and G4MoleculeTable::Instance().

◆ SetReactant2() [2/2]

void G4DNAMolecularReactionData::SetReactant2 ( Reactant * reactive )

Definition at line 152 of file G4DNAMolecularReactionTable.cc.

{
    fpReactant2 = pReactive;
}

References fpReactant2.

Referenced by G4DNAMolecularReactionData().

◆ SetReactants() [1/2]

void G4DNAMolecularReactionData::SetReactants	(	const G4String &	reactive1,
		const G4String &	reactive2
	)

Definition at line 197 of file G4DNAMolecularReactionTable.cc.

{
    fpReactant1 = G4MoleculeTable::Instance()->GetConfiguration(reactant1);
    fpReactant2 = G4MoleculeTable::Instance()->GetConfiguration(reactant2);
}

References fpReactant1, fpReactant2, G4MoleculeTable::GetConfiguration(), and G4MoleculeTable::Instance().

◆ SetReactants() [2/2]

void G4DNAMolecularReactionData::SetReactants	(	Reactant *	reactive1,
		Reactant *	reactive2
	)

Definition at line 157 of file G4DNAMolecularReactionTable.cc.

{
    fpReactant1 = pReactant1;
    fpReactant2 = pReactant2;
}

References fpReactant1, and fpReactant2.

◆ SetReactionID()

void G4DNAMolecularReactionData::SetReactionID ( int ID )

Definition at line 142 of file G4DNAMolecularReactionTable.cc.

{
    fReactionID = ID;
}

References fReactionID.

Referenced by G4DNAMolecularReactionTable::SetReaction().

◆ SetReactionRadius()

void G4DNAMolecularReactionData::SetReactionRadius ( G4double radius )

Definition at line 239 of file G4DNAMolecularReactionTable.cc.

{
    fReactionRadius = radius;
    fEffectiveReactionRadius = -fOnsagerRadius / (1-exp(fOnsagerRadius / fReactionRadius));
}

References fEffectiveReactionRadius, fOnsagerRadius, and fReactionRadius.

◆ SetReactionType()

void G4DNAMolecularReactionData::SetReactionType ( G4int type )

Definition at line 275 of file G4DNAMolecularReactionTable.cc.

{
    G4double sumDiffCoeff = 0.;
 
    if(type == 1)
    {
 
        sumDiffCoeff = fpReactant1->GetDiffusionCoefficient() + 
                       fpReactant2->GetDiffusionCoefficient();
 
        fReactionRadius = fpReactant1->GetVanDerVaalsRadius() +
                          fpReactant2->GetVanDerVaalsRadius();
 
        G4double Rs = 0.29 * nm;
        if(fOnsagerRadius == 0) // Type II
        {
            fEffectiveReactionRadius = fReactionRadius;
            fDiffusionRate = 4 * pi * sumDiffCoeff * fReactionRadius * Avogadro;
            if (fpReactant1 == fpReactant2) fDiffusionRate/=2;
            fActivationRate = fDiffusionRate * fObservedReactionRate / (fDiffusionRate - fObservedReactionRate);
            fProbability =  Rs / (Rs + (fDiffusionRate / fActivationRate) * (fReactionRadius + Rs));
 
        }else{ // Type IV
            fEffectiveReactionRadius = -fOnsagerRadius/(1-exp(fOnsagerRadius/fReactionRadius));
            fDiffusionRate = 4 * pi * sumDiffCoeff * fEffectiveReactionRadius * Avogadro;
            if (fpReactant1 == fpReactant2) fDiffusionRate/=2;
 
            fActivationRate = fDiffusionRate * fObservedReactionRate / (fDiffusionRate - fObservedReactionRate);
            fProbability = Rs / (Rs + (fDiffusionRate / fActivationRate) * (fEffectiveReactionRadius + Rs));
        }
    }
 
    fType = type;
}

References source.hepunit::Avogadro, fActivationRate, fDiffusionRate, fEffectiveReactionRadius, fObservedReactionRate, fOnsagerRadius, fpReactant1, fpReactant2, fProbability, fReactionRadius, fType, G4MolecularConfiguration::GetDiffusionCoefficient(), G4MolecularConfiguration::GetVanDerVaalsRadius(), nm, and pi.

Referenced by G4EmDNAChemistry_option3::ConstructReactionTable().

◆ SetScaledParameterization()

void G4DNAMolecularReactionData::SetScaledParameterization	(	double	temperature_K,
		double	rateCste
	)

Definition at line 786 of file G4DNAMolecularReactionTable.cc.

{
    fRateParam = std::bind(ScaledParameterization,
                           std::placeholders::_1,
                           temperature_K,
                           rateCste);
}

References fRateParam, and ScaledParameterization().

Referenced by G4ReactionTableMessenger::SetNewValue().

Field Documentation

◆ fActivationRate

G4double G4DNAMolecularReactionData::fActivationRate

protected

Definition at line 155 of file G4DNAMolecularReactionTable.hh.

Referenced by GetActivationRateConstant(), and SetReactionType().

◆ fDiffusionRate

G4double G4DNAMolecularReactionData::fDiffusionRate

protected

Definition at line 156 of file G4DNAMolecularReactionTable.hh.

Referenced by GetDiffusionRateConstant(), and SetReactionType().

◆ fEffectiveReactionRadius

G4double G4DNAMolecularReactionData::fEffectiveReactionRadius

protected

Definition at line 161 of file G4DNAMolecularReactionTable.hh.

Referenced by ComputeEffectiveRadius(), GetEffectiveReactionRadius(), SetEffectiveReactionRadius(), SetReactionRadius(), and SetReactionType().

◆ fObservedReactionRate

G4double G4DNAMolecularReactionData::fObservedReactionRate

protected

Definition at line 154 of file G4DNAMolecularReactionTable.hh.

Referenced by ComputeEffectiveRadius(), GetObservedReactionRateConstant(), SetObservedReactionRateConstant(), and SetReactionType().

◆ fOnsagerRadius

G4double G4DNAMolecularReactionData::fOnsagerRadius

protected

Definition at line 158 of file G4DNAMolecularReactionTable.hh.

Referenced by ComputeEffectiveRadius(), GetOnsagerRadius(), SetReactionRadius(), and SetReactionType().

◆ fpReactant1

Reactant* G4DNAMolecularReactionData::fpReactant1

protected

Definition at line 151 of file G4DNAMolecularReactionTable.hh.

Referenced by ComputeEffectiveRadius(), GetReactant1(), GetReactants(), SetReactant1(), SetReactants(), and SetReactionType().

◆ fpReactant2

Reactant* G4DNAMolecularReactionData::fpReactant2

protected

Definition at line 152 of file G4DNAMolecularReactionTable.hh.

Referenced by ComputeEffectiveRadius(), GetReactant2(), GetReactants(), SetReactant2(), SetReactants(), and SetReactionType().

◆ fProbability

G4double G4DNAMolecularReactionData::fProbability

protected

Definition at line 163 of file G4DNAMolecularReactionTable.hh.

Referenced by ComputeEffectiveRadius(), GetProbability(), SetProbability(), and SetReactionType().

◆ fProducts

ReactionProducts G4DNAMolecularReactionData::fProducts

protected

Definition at line 166 of file G4DNAMolecularReactionTable.hh.

Referenced by AddProduct(), GetNbProducts(), GetProduct(), GetProducts(), RemoveProducts(), and ~G4DNAMolecularReactionData().

◆ fRateParam

RateParam G4DNAMolecularReactionData::fRateParam

protected

Definition at line 167 of file G4DNAMolecularReactionTable.hh.

Referenced by ScaleForNewTemperature(), SetArrehniusParameterization(), SetPolynomialParameterization(), and SetScaledParameterization().

◆ fReactionID

int G4DNAMolecularReactionData::fReactionID

protected

Definition at line 168 of file G4DNAMolecularReactionTable.hh.

Referenced by ComputeEffectiveRadius(), GetReactionID(), and SetReactionID().

◆ fReactionRadius

G4double G4DNAMolecularReactionData::fReactionRadius

protected

Definition at line 160 of file G4DNAMolecularReactionTable.hh.

Referenced by ComputeEffectiveRadius(), GetReactionRadius(), SetReactionRadius(), and SetReactionType().

◆ fType

G4int G4DNAMolecularReactionData::fType

protected

Definition at line 164 of file G4DNAMolecularReactionTable.hh.

Referenced by GetReactionType(), and SetReactionType().

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

source/processes/electromagnetic/dna/utils/include/G4DNAMolecularReactionTable.hh
source/processes/electromagnetic/dna/utils/src/G4DNAMolecularReactionTable.cc

Protected Attributes
G4double	fActivationRate

G4double	fDiffusionRate

G4double	fEffectiveReactionRadius

G4double	fObservedReactionRate

G4double	fOnsagerRadius

Reactant *	fpReactant1

Reactant *	fpReactant2

G4double	fProbability

ReactionProducts	fProducts

RateParam	fRateParam

int	fReactionID

G4double	fReactionRadius

G4int	fType

Public Types

Public Member Functions

Static Public Member Functions

Protected Member Functions

Protected Attributes

Private Member Functions

Detailed Description

Member Typedef Documentation

◆ RateParam

◆ Reactant

◆ ReactantPair

◆ ReactionProducts

Constructor & Destructor Documentation

◆ G4DNAMolecularReactionData() [1/3]

◆ G4DNAMolecularReactionData() [2/3]

◆ ~G4DNAMolecularReactionData()

◆ G4DNAMolecularReactionData() [3/3]

Member Function Documentation

◆ AddProduct() [1/2]

◆ AddProduct() [2/2]

◆ ArrehniusParam()

◆ ComputeEffectiveRadius()

◆ GetActivationRateConstant()

◆ GetDiffusionRateConstant()

◆ GetEffectiveReactionRadius()

◆ GetNbProducts()

◆ GetObservedReactionRateConstant()

◆ GetOnsagerRadius()

◆ GetProbability()

◆ GetProduct()

◆ GetProducts()

◆ GetReactant1()

◆ GetReactant2()

◆ GetReactants()

◆ GetReactionID()

◆ GetReactionRadius()

◆ GetReactionType()

◆ PolynomialParam()

◆ RemoveProducts()

◆ ScaledParameterization()

◆ ScaleForNewTemperature()

◆ SetArrehniusParameterization()

◆ SetEffectiveReactionRadius()

◆ SetObservedReactionRateConstant()

◆ SetPolynomialParameterization()

◆ SetProbability()

◆ SetReactant1() [1/2]

◆ SetReactant1() [2/2]

◆ SetReactant2() [1/2]

◆ SetReactant2() [2/2]

◆ SetReactants() [1/2]

◆ SetReactants() [2/2]

◆ SetReactionID()

◆ SetReactionRadius()

◆ SetReactionType()

◆ SetScaledParameterization()

Field Documentation

◆ fActivationRate

◆ fDiffusionRate

◆ fEffectiveReactionRadius

◆ fObservedReactionRate

◆ fOnsagerRadius

◆ fpReactant1

◆ fpReactant2

◆ fProbability

◆ fProducts

◆ fRateParam

◆ fReactionID

◆ fReactionRadius

◆ fType