Geant4-11
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#include <G4DNAMolecularReactionTable.hh>
Public Types | |
using | Data = const G4DNAMolecularReactionData |
using | DataList = std::vector< Data * > |
using | Reactant = const G4MolecularConfiguration |
using | ReactantList = std::vector< Reactant * > |
using | ReactionDataMap = std::map< Reactant *, SpecificDataList > |
using | ReactionDataMV = std::map< Reactant *, DataList > |
using | ReactivesMV = std::map< Reactant *, ReactantList > |
using | SpecificDataList = std::map< Reactant *, Data * > |
Public Member Functions | |
const ReactantList * | CanReactWith (Reactant *) const |
const ReactionDataMap & | GetAllReactionData () |
G4VDNAMolecularGeometry * | GetGeometry () const |
size_t | GetNReactions () const |
Data * | GetReaction (int reactionID) const |
const DataList * | GetReactionData (const G4MolecularConfiguration *) const |
Data * | GetReactionData (const G4String &, const G4String &) const |
Data * | GetReactionData (Reactant *, Reactant *) const |
const SpecificDataList * | GetReativesNData (const G4MolecularConfiguration *) const |
DataList | GetVectorOfReactionData () |
void | PrintTable (G4VDNAReactionModel *=0) |
void | ScaleReactionRateForNewTemperature (double temp_K) |
void | SetGeometry (G4VDNAMolecularGeometry *geometry) |
void | SetReaction (G4DNAMolecularReactionData *) |
void | SetReaction (G4double observedReactionRate, Reactant *reactive1, Reactant *reactive2) |
virtual | ~G4DNAMolecularReactionTable () |
Static Public Member Functions | |
static void | DeleteInstance () |
static G4DNAMolecularReactionTable * | GetReactionTable () |
static G4DNAMolecularReactionTable * | Instance () |
Protected Member Functions | |
G4DNAMolecularReactionTable () | |
Protected Attributes | |
G4VDNAMolecularGeometry * | fGeometry |
std::unique_ptr< G4ReactionTableMessenger > | fpMessenger |
ReactivesMV | fReactantsMV |
ReactionDataMap | fReactionData |
ReactionDataMV | fReactionDataMV |
std::vector< std::unique_ptr< Data > > | fVectorOfReactionData |
G4bool | fVerbose |
Static Protected Attributes | |
static G4DNAMolecularReactionTable * | fpInstance |
G4DNAMolecularReactionTable sorts out the G4DNAMolecularReactionData for bimolecular reaction
Definition at line 175 of file G4DNAMolecularReactionTable.hh.
using G4DNAMolecularReactionTable::Data = const G4DNAMolecularReactionData |
Definition at line 188 of file G4DNAMolecularReactionTable.hh.
using G4DNAMolecularReactionTable::DataList = std::vector<Data*> |
Definition at line 190 of file G4DNAMolecularReactionTable.hh.
Definition at line 187 of file G4DNAMolecularReactionTable.hh.
using G4DNAMolecularReactionTable::ReactantList = std::vector<Reactant*> |
Definition at line 189 of file G4DNAMolecularReactionTable.hh.
using G4DNAMolecularReactionTable::ReactionDataMap = std::map<Reactant*, SpecificDataList> |
Definition at line 193 of file G4DNAMolecularReactionTable.hh.
using G4DNAMolecularReactionTable::ReactionDataMV = std::map<Reactant*, DataList> |
Definition at line 195 of file G4DNAMolecularReactionTable.hh.
using G4DNAMolecularReactionTable::ReactivesMV = std::map<Reactant*, ReactantList> |
Definition at line 194 of file G4DNAMolecularReactionTable.hh.
using G4DNAMolecularReactionTable::SpecificDataList = std::map<Reactant*, Data*> |
Definition at line 191 of file G4DNAMolecularReactionTable.hh.
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Definition at line 382 of file G4DNAMolecularReactionTable.cc.
Referenced by GetReactionTable(), and Instance().
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const G4DNAMolecularReactionTable::ReactantList * G4DNAMolecularReactionTable::CanReactWith | ( | Reactant * | pMolecule | ) | const |
Given a molecule's type, it returns with which a reaction is allowed
Definition at line 656 of file G4DNAMolecularReactionTable.cc.
References FatalErrorInArgument, fReactantsMV, fVerbose, G4cout, G4endl, G4Exception(), and G4MolecularConfiguration::GetName().
Referenced by G4DNAIRTMoleculeEncounterStepper::CalculateStep(), G4DNAMoleculeEncounterStepper::CalculateStep(), G4DNAIndependentReactionTimeStepper::CalculateStep(), PrintTable(), G4DNAIRT::Sampling(), and G4DNAIRT_geometries::Sampling().
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Definition at line 371 of file G4DNAMolecularReactionTable.cc.
References fpInstance.
Referenced by G4DNAChemistryManager::Clear().
const G4DNAMolecularReactionTable::ReactionDataMap & G4DNAMolecularReactionTable::GetAllReactionData | ( | ) |
Definition at line 636 of file G4DNAMolecularReactionTable.cc.
References fReactionData.
G4VDNAMolecularGeometry * G4DNAMolecularReactionTable::GetGeometry | ( | ) | const |
Definition at line 596 of file G4DNAMolecularReactionTable.cc.
References fGeometry.
Referenced by G4DNAIRT_geometries::Initialize().
size_t G4DNAMolecularReactionTable::GetNReactions | ( | ) | const |
Definition at line 830 of file G4DNAMolecularReactionTable.cc.
References fVectorOfReactionData.
G4DNAMolecularReactionTable::Data * G4DNAMolecularReactionTable::GetReaction | ( | int | reactionID | ) | const |
Definition at line 818 of file G4DNAMolecularReactionTable.cc.
References fVectorOfReactionData.
const G4DNAMolecularReactionTable::DataList * G4DNAMolecularReactionTable::GetReactionData | ( | const G4MolecularConfiguration * | molecule | ) | const |
Definition at line 737 of file G4DNAMolecularReactionTable.cc.
References FatalErrorInArgument, fReactionDataMV, G4Exception(), and G4MolecularConfiguration::GetName().
G4DNAMolecularReactionTable::Data * G4DNAMolecularReactionTable::GetReactionData | ( | const G4String & | mol1, |
const G4String & | mol2 | ||
) | const |
Definition at line 759 of file G4DNAMolecularReactionTable.cc.
References G4MoleculeTable::GetConfiguration(), G4MoleculeTable::GetMoleculeTable(), and GetReactionData().
G4DNAMolecularReactionTable::Data * G4DNAMolecularReactionTable::GetReactionData | ( | Reactant * | pReactant1, |
Reactant * | pReactant2 | ||
) | const |
Definition at line 602 of file G4DNAMolecularReactionTable.cc.
References FatalErrorInArgument, fReactionData, G4cout, G4endl, G4Exception(), and G4MolecularConfiguration::GetName().
Referenced by G4DNAPartiallyDiffusionControlled::GeminateRecombinationProbability(), G4DNAIRT::GetIndependentReactionTime(), G4DNAIRT_geometries::GetIndependentReactionTime(), GetReactionData(), G4DNASmoluchowskiReactionModel::GetReactionRadius(), G4DiffusionControlledReactionModel::GetReactionRadius(), G4DNAIndependentReactionTimeStepper::GetReactionType(), G4DNAPartiallyDiffusionControlled::GetTimeToEncounter(), G4DNATotallyDiffusionControlled::GetTimeToEncounter(), G4DNASmoluchowskiReactionModel::Initialise(), G4DiffusionControlledReactionModel::Initialise(), G4DNASmoluchowskiReactionModel::InitialiseToPrint(), G4DiffusionControlledReactionModel::InitialiseToPrint(), G4DNAIRT::MakeReaction(), G4DNAIRT_geometries::MakeReaction(), G4DNAMakeReaction::MakeReaction(), G4DNAMolecularReaction::MakeReaction(), G4DNAIRT::Sampling(), and G4DNAIRT_geometries::Sampling().
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Definition at line 349 of file G4DNAMolecularReactionTable.cc.
References fpInstance, and G4DNAMolecularReactionTable().
Referenced by G4DNAIndependentReactionTimeModel::Initialize(), G4DNAMolecularIRTModel::Initialize(), G4DNAMolecularStepByStepModel::Initialize(), G4DNAChemistryManager::InitializeMaster(), and G4DNAChemistryManager::InitializeThread().
const G4DNAMolecularReactionTable::SpecificDataList * G4DNAMolecularReactionTable::GetReativesNData | ( | const G4MolecularConfiguration * | molecule | ) | const |
Definition at line 702 of file G4DNAMolecularReactionTable.cc.
References FatalErrorInArgument, fReactionData, fVerbose, G4cout, G4endl, G4Exception(), and G4MolecularConfiguration::GetName().
G4DNAMolecularReactionTable::DataList G4DNAMolecularReactionTable::GetVectorOfReactionData | ( | ) |
Definition at line 641 of file G4DNAMolecularReactionTable.cc.
References fVectorOfReactionData.
Referenced by G4DNAGillespieDirectMethod::Reaction().
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Definition at line 360 of file G4DNAMolecularReactionTable.cc.
References fpInstance, and G4DNAMolecularReactionTable().
Referenced by G4DNAEventScheduler::CheckingReactionRadius(), G4DNAPartiallyDiffusionControlled::GeminateRecombinationProbability(), G4DNAPartiallyDiffusionControlled::GetTimeToEncounter(), G4DNATotallyDiffusionControlled::GetTimeToEncounter(), and G4DNAChemistryManager::SetGlobalTemperature().
void G4DNAMolecularReactionTable::PrintTable | ( | G4VDNAReactionModel * | pReactionModel = 0 | ) |
Definition at line 424 of file G4DNAMolecularReactionTable.cc.
References CanReactWith(), G4UIcommand::ConvertToString(), fReactantsMV, fReactionData, G4cout, G4endl, G4MolecularConfiguration::GetName(), G4DNAMolecularReactionData::GetNbProducts(), G4DNAMolecularReactionData::GetObservedReactionRateConstant(), G4DNAMolecularReactionData::GetProduct(), G4VDNAReactionModel::GetReactionRadius(), G4VDNAReactionModel::GetReactionTable(), G4VDNAReactionModel::InitialiseToPrint(), m3, mole, CLHEP::detail::n, nanometer, s, G4VDNAReactionModel::SetReactionTable(), and TRUE.
Referenced by G4EmDNAChemistry_option2::ConstructTimeStepModel(), G4EmDNAChemistry::ConstructTimeStepModel(), G4EmDNAChemistry_option1::ConstructTimeStepModel(), and G4ReactionTableMessenger::SetNewValue().
void G4DNAMolecularReactionTable::ScaleReactionRateForNewTemperature | ( | double | temp_K | ) |
Definition at line 797 of file G4DNAMolecularReactionTable.cc.
References fVectorOfReactionData.
Referenced by G4DNAChemistryManager::SetGlobalTemperature().
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Definition at line 212 of file G4DNAMolecularReactionTable.hh.
References fGeometry.
void G4DNAMolecularReactionTable::SetReaction | ( | G4DNAMolecularReactionData * | pReactionData | ) |
Definition at line 392 of file G4DNAMolecularReactionTable.cc.
References fReactantsMV, fReactionData, fReactionDataMV, fVectorOfReactionData, G4DNAMolecularReactionData::GetReactant1(), G4DNAMolecularReactionData::GetReactant2(), and G4DNAMolecularReactionData::SetReactionID().
void G4DNAMolecularReactionTable::SetReaction | ( | G4double | observedReactionRate, |
Reactant * | reactive1, | ||
Reactant * | reactive2 | ||
) |
Define a reaction : First argument : reaction rate Second argument : reactant 1 Third argument : reactant 2 Fourth argument : a std::vector holding the molecular products if this last argument is NULL then it will be interpreted as a reaction giving no products
Definition at line 414 of file G4DNAMolecularReactionTable.cc.
References SetReaction().
Referenced by G4EmDNAChemistry_option2::ConstructReactionTable(), G4EmDNAChemistry::ConstructReactionTable(), G4EmDNAChemistry_option1::ConstructReactionTable(), G4EmDNAChemistry_option3::ConstructReactionTable(), G4ReactionTableMessenger::SetNewValue(), and SetReaction().
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Definition at line 245 of file G4DNAMolecularReactionTable.hh.
Referenced by GetGeometry(), and SetGeometry().
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Definition at line 179 of file G4DNAMolecularReactionTable.hh.
Referenced by DeleteInstance(), GetReactionTable(), and Instance().
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Definition at line 250 of file G4DNAMolecularReactionTable.hh.
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Definition at line 247 of file G4DNAMolecularReactionTable.hh.
Referenced by CanReactWith(), PrintTable(), and SetReaction().
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Definition at line 246 of file G4DNAMolecularReactionTable.hh.
Referenced by GetAllReactionData(), GetReactionData(), GetReativesNData(), PrintTable(), and SetReaction().
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Definition at line 248 of file G4DNAMolecularReactionTable.hh.
Referenced by GetReactionData(), and SetReaction().
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Definition at line 249 of file G4DNAMolecularReactionTable.hh.
Referenced by GetNReactions(), GetReaction(), GetVectorOfReactionData(), ScaleReactionRateForNewTemperature(), and SetReaction().
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Definition at line 243 of file G4DNAMolecularReactionTable.hh.
Referenced by CanReactWith(), and GetReativesNData().