Geant4  10.02.p02
G4DNAMolecularReactionData Class Reference

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

#include <G4DNAMolecularReactionTable.hh>

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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 ()
 
G4MolecularConfigurationGetReactant1 () const
 
G4MolecularConfigurationGetReactant2 () 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
 
G4MolecularConfigurationGetProduct (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

G4MolecularConfigurationfReactant1
 
G4MolecularConfigurationfReactant2
 
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

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().

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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().

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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().

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void G4DNAMolecularReactionData::AddProduct ( const G4String molecule)

Definition at line 175 of file G4DNAMolecularReactionTable.cc.

References fProducts, and G4MoleculeTable::Instance().

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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().

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G4double G4DNAMolecularReactionData::GetEffectiveReactionRadius ( ) const
inline

Definition at line 112 of file G4DNAMolecularReactionTable.hh.

References fEffectiveReactionRadius.

Referenced by G4DNASmoluchowskiReactionModel::GetReactionRadius().

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G4int G4DNAMolecularReactionData::GetNbProducts ( ) const
inline

Definition at line 137 of file G4DNAMolecularReactionTable.hh.

References fProducts.

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

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G4double G4DNAMolecularReactionData::GetObservedReactionRateConstant ( ) const
inline

Definition at line 107 of file G4DNAMolecularReactionTable.hh.

References fObservedReactionRate.

Referenced by G4DNAMolecularReactionTable::PrintTable().

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G4MolecularConfiguration* G4DNAMolecularReactionData::GetProduct ( G4int  i) const
inline

Definition at line 143 of file G4DNAMolecularReactionTable.hh.

References fProducts.

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

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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().

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G4MolecularConfiguration* G4DNAMolecularReactionData::GetReactant2 ( ) const
inline

Definition at line 97 of file G4DNAMolecularReactionTable.hh.

References fReactant2.

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

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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().

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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().

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void G4DNAMolecularReactionData::ScaleForNewTemperature ( double  temp_K)

Definition at line 725 of file G4DNAMolecularReactionTable.cc.

References fRateParam, and SetObservedReactionRateConstant().

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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().

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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().

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

Definition at line 681 of file G4DNAMolecularReactionTable.cc.

References fRateParam, and PolynomialParam().

Referenced by G4ReactionTableMessenger::SetNewValue().

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void G4DNAMolecularReactionData::SetReactant1 ( G4MolecularConfiguration reactive)

Definition at line 136 of file G4DNAMolecularReactionTable.cc.

References fReactant1.

Referenced by G4DNAMolecularReactionData().

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void G4DNAMolecularReactionData::SetReactant1 ( const G4String reactive)

Definition at line 160 of file G4DNAMolecularReactionTable.cc.

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

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void G4DNAMolecularReactionData::SetReactant2 ( G4MolecularConfiguration reactive)

Definition at line 142 of file G4DNAMolecularReactionTable.cc.

References fReactant2.

Referenced by G4DNAMolecularReactionData().

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void G4DNAMolecularReactionData::SetReactant2 ( const G4String reactive)

Definition at line 164 of file G4DNAMolecularReactionTable.cc.

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

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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().

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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().

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Member Data Documentation

G4double G4DNAMolecularReactionData::fEffectiveReactionRadius
protected
G4double G4DNAMolecularReactionData::fObservedReactionRate
protected
std::vector<G4MolecularConfiguration*>* G4DNAMolecularReactionData::fProducts
protected
RateParam G4DNAMolecularReactionData::fRateParam
protected
G4MolecularConfiguration* G4DNAMolecularReactionData::fReactant1
protected
G4MolecularConfiguration* G4DNAMolecularReactionData::fReactant2
protected
int G4DNAMolecularReactionData::fReactionID
protected

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