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

#include <G4DNAMolecularReactionTable.hh>

Collaboration diagram for G4DNAMolecularReactionData:

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

Public Member Functions
	G4DNAMolecularReactionData (G4double reactionRate, G4MolecularConfiguration reactive1, G4MolecularConfiguration reactive2)

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

	~G4DNAMolecularReactionData ()

int	GetReactionID () const

void	SetReactionID (int ID)

std::pair < G4MolecularConfiguration , G4MolecularConfiguration >	GetReactants ()

G4MolecularConfiguration *	GetReactant1 () const

G4MolecularConfiguration *	GetReactant2 () const

void	SetObservedReactionRateConstant (G4double rate)

G4double	GetObservedReactionRateConstant () const

G4double	GetEffectiveReactionRadius () const

void	SetEffectiveReactionRadius (G4double radius)

void	SetReactant1 (G4MolecularConfiguration *reactive)

void	SetReactant2 (G4MolecularConfiguration *reactive)

void	SetReactants (G4MolecularConfiguration reactive1, G4MolecularConfiguration reactive2)

void	AddProduct (G4MolecularConfiguration *molecule)

void	SetReactant1 (const G4String &reactive)

void	SetReactant2 (const G4String &reactive)

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

void	AddProduct (const G4String &molecule)

G4int	GetNbProducts () const

G4MolecularConfiguration *	GetProduct (G4int i) const

const std::vector < G4MolecularConfiguration * > *	GetProducts () const

void	RemoveProducts ()

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

void	SetArrehniusParameterization (double A0, double E_R)

void	SetScaledParameterization (double temperature_K, double rateCste)

void	ScaleForNewTemperature (double temp_K)

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

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

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

Protected Member Functions
	G4DNAMolecularReactionData ()

Protected Attributes
G4MolecularConfiguration *	fReactant1

G4MolecularConfiguration *	fReactant2

G4double	fObservedReactionRate

G4double	fEffectiveReactionRadius

std::vector < G4MolecularConfiguration * > *	fProducts

RateParam	fRateParam

int	fReactionID

Detailed Description

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

Definition at line 67 of file G4DNAMolecularReactionTable.hh.

Member Typedef Documentation

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

Definition at line 165 of file G4DNAMolecularReactionTable.hh.

Constructor & Destructor Documentation

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

Definition at line 69 of file G4DNAMolecularReactionTable.cc.

References fEffectiveReactionRadius, fObservedReactionRate, fReactionID, G4MolecularConfiguration::GetDiffusionCoefficient(), pi, SetReactant1(), and SetReactant2().

Here is the call graph for this function:

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

Definition at line 99 of file G4DNAMolecularReactionTable.cc.

References fEffectiveReactionRadius, fObservedReactionRate, fReactant1, fReactant2, fReactionID, G4MolecularConfiguration::GetDiffusionCoefficient(), pi, SetReactant1(), and SetReactant2().

Here is the call graph for this function:

G4DNAMolecularReactionData::~G4DNAMolecularReactionData ( )

Definition at line 126 of file G4DNAMolecularReactionTable.cc.

References fProducts.

G4DNAMolecularReactionData::G4DNAMolecularReactionData ( )

protected

Definition at line 56 of file G4DNAMolecularReactionTable.cc.

References fReactionID.

Member Function Documentation

void G4DNAMolecularReactionData::AddProduct ( G4MolecularConfiguration * molecule )

Definition at line 154 of file G4DNAMolecularReactionTable.cc.

References fProducts.

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

Here is the caller graph for this function:

void G4DNAMolecularReactionData::AddProduct ( const G4String & molecule )

Definition at line 175 of file G4DNAMolecularReactionTable.cc.

References fProducts, and G4MoleculeTable::Instance().

Here is the call graph for this function:

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

static

Definition at line 192 of file G4DNAMolecularReactionTable.cc.

References m3, mole, and s.

Referenced by SetArrehniusParameterization().

Here is the caller graph for this function:

G4double G4DNAMolecularReactionData::GetEffectiveReactionRadius ( ) const

inline

Definition at line 112 of file G4DNAMolecularReactionTable.hh.

References fEffectiveReactionRadius.

Referenced by G4DNASmoluchowskiReactionModel::GetReactionRadius().

Here is the caller graph for this function:

G4int G4DNAMolecularReactionData::GetNbProducts ( ) const

inline

Definition at line 137 of file G4DNAMolecularReactionTable.hh.

References fProducts.

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

Here is the caller graph for this function:

G4double G4DNAMolecularReactionData::GetObservedReactionRateConstant ( ) const

inline

Definition at line 107 of file G4DNAMolecularReactionTable.hh.

References fObservedReactionRate.

Referenced by G4DNAMolecularReactionTable::PrintTable().

Here is the caller graph for this function:

G4MolecularConfiguration* G4DNAMolecularReactionData::GetProduct ( G4int i ) const

inline

Definition at line 143 of file G4DNAMolecularReactionTable.hh.

References fProducts.

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

Here is the caller graph for this function:

const std::vector<G4MolecularConfiguration*>* G4DNAMolecularReactionData::GetProducts ( ) const

inline

Definition at line 149 of file G4DNAMolecularReactionTable.hh.

References fProducts.

G4MolecularConfiguration* G4DNAMolecularReactionData::GetReactant1 ( ) const

inline

Definition at line 93 of file G4DNAMolecularReactionTable.hh.

References fReactant1.

Referenced by G4DNAMolecularReactionTable::SetReaction(), and G4DNAMolecularReactionTable::~G4DNAMolecularReactionTable().

Here is the caller graph for this function:

G4MolecularConfiguration* G4DNAMolecularReactionData::GetReactant2 ( ) const

inline

Definition at line 97 of file G4DNAMolecularReactionTable.hh.

References fReactant2.

Referenced by G4DNAMolecularReactionTable::SetReaction(), and G4DNAMolecularReactionTable::~G4DNAMolecularReactionTable().

Here is the caller graph for this function:

std::pair<G4MolecularConfiguration*, G4MolecularConfiguration*> G4DNAMolecularReactionData::GetReactants ( )

inline

Definition at line 88 of file G4DNAMolecularReactionTable.hh.

References fReactant1, and fReactant2.

int G4DNAMolecularReactionData::GetReactionID ( ) const

inline

Definition at line 83 of file G4DNAMolecularReactionTable.hh.

References fReactionID.

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

static

Definition at line 182 of file G4DNAMolecularReactionTable.cc.

References m3, mole, and s.

Referenced by SetPolynomialParameterization().

Here is the caller graph for this function:

void G4DNAMolecularReactionData::RemoveProducts ( )

inline

Definition at line 154 of file G4DNAMolecularReactionTable.hh.

References fProducts.

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

static

Definition at line 198 of file G4DNAMolecularReactionTable.cc.

References G4MolecularConfiguration::DiffCoeffWater().

Referenced by SetScaledParameterization().

Here is the call graph for this function:

Here is the caller graph for this function:

void G4DNAMolecularReactionData::ScaleForNewTemperature ( double temp_K )

Definition at line 725 of file G4DNAMolecularReactionTable.cc.

References fRateParam, and SetObservedReactionRateConstant().

Here is the call graph for this function:

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

Definition at line 688 of file G4DNAMolecularReactionTable.cc.

References ArrehniusParam(), fRateParam, G4cout, G4endl, and P.

Referenced by G4ReactionTableMessenger::SetNewValue().

Here is the call graph for this function:

Here is the caller graph for this function:

void G4DNAMolecularReactionData::SetEffectiveReactionRadius ( G4double radius )

inline

Definition at line 117 of file G4DNAMolecularReactionTable.hh.

References fEffectiveReactionRadius.

void G4DNAMolecularReactionData::SetObservedReactionRateConstant ( G4double rate )

inline

Definition at line 102 of file G4DNAMolecularReactionTable.hh.

References fObservedReactionRate.

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

Here is the caller graph for this function:

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

Definition at line 681 of file G4DNAMolecularReactionTable.cc.

References fRateParam, and PolynomialParam().

Referenced by G4ReactionTableMessenger::SetNewValue().

Here is the call graph for this function:

Here is the caller graph for this function:

void G4DNAMolecularReactionData::SetReactant1 ( G4MolecularConfiguration * reactive )

Definition at line 136 of file G4DNAMolecularReactionTable.cc.

References fReactant1.

Referenced by G4DNAMolecularReactionData().

Here is the caller graph for this function:

void G4DNAMolecularReactionData::SetReactant1 ( const G4String & reactive )

Definition at line 160 of file G4DNAMolecularReactionTable.cc.

References fReactant1, G4MoleculeTable::GetConfiguration(), and G4MoleculeTable::Instance().

Here is the call graph for this function:

void G4DNAMolecularReactionData::SetReactant2 ( G4MolecularConfiguration * reactive )

Definition at line 142 of file G4DNAMolecularReactionTable.cc.

References fReactant2.

Referenced by G4DNAMolecularReactionData().

Here is the caller graph for this function:

void G4DNAMolecularReactionData::SetReactant2 ( const G4String & reactive )

Definition at line 164 of file G4DNAMolecularReactionTable.cc.

References fReactant2, G4MoleculeTable::GetConfiguration(), and G4MoleculeTable::Instance().

Here is the call graph for this function:

void G4DNAMolecularReactionData::SetReactants	(	G4MolecularConfiguration *	reactive1,
		G4MolecularConfiguration *	reactive2
	)

Definition at line 147 of file G4DNAMolecularReactionTable.cc.

References fReactant1, and fReactant2.

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

Definition at line 168 of file G4DNAMolecularReactionTable.cc.

References fReactant1, fReactant2, G4MoleculeTable::GetConfiguration(), and G4MoleculeTable::Instance().

Here is the call graph for this function:

void G4DNAMolecularReactionData::SetReactionID ( int ID )

inline

Definition at line 84 of file G4DNAMolecularReactionTable.hh.

References fReactionID.

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

Definition at line 701 of file G4DNAMolecularReactionTable.cc.

References fRateParam, and ScaledParameterization().

Referenced by G4ReactionTableMessenger::SetNewValue().

Here is the call graph for this function:

Here is the caller graph for this function:

Member Data Documentation

G4double G4DNAMolecularReactionData::fEffectiveReactionRadius

protected

Definition at line 186 of file G4DNAMolecularReactionTable.hh.

Referenced by G4DNAMolecularReactionData(), GetEffectiveReactionRadius(), and SetEffectiveReactionRadius().

G4double G4DNAMolecularReactionData::fObservedReactionRate

protected

Definition at line 185 of file G4DNAMolecularReactionTable.hh.

Referenced by G4DNAMolecularReactionData(), GetObservedReactionRateConstant(), and SetObservedReactionRateConstant().

std::vector<G4MolecularConfiguration*>* G4DNAMolecularReactionData::fProducts

protected

Definition at line 188 of file G4DNAMolecularReactionTable.hh.

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

RateParam G4DNAMolecularReactionData::fRateParam

protected

Definition at line 190 of file G4DNAMolecularReactionTable.hh.

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

G4MolecularConfiguration* G4DNAMolecularReactionData::fReactant1

protected

Definition at line 183 of file G4DNAMolecularReactionTable.hh.

Referenced by G4DNAMolecularReactionData(), GetReactant1(), GetReactants(), SetReactant1(), and SetReactants().

G4MolecularConfiguration* G4DNAMolecularReactionData::fReactant2

protected

Definition at line 184 of file G4DNAMolecularReactionTable.hh.

Referenced by G4DNAMolecularReactionData(), GetReactant2(), GetReactants(), SetReactant2(), and SetReactants().

int G4DNAMolecularReactionData::fReactionID

protected

Definition at line 191 of file G4DNAMolecularReactionTable.hh.

Referenced by G4DNAMolecularReactionData(), GetReactionID(), and SetReactionID().

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

geant4.10.02.p02/source/processes/electromagnetic/dna/utils/include/G4DNAMolecularReactionTable.hh
geant4.10.02.p02/source/processes/electromagnetic/dna/utils/src/G4DNAMolecularReactionTable.cc

Public Types

Public Member Functions

Static Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation