#include <G4DNAChemistryManager.hh>

Inheritance diagram for G4DNAChemistryManager:

Data Structures
struct	ThreadLocalData

Public Member Functions
void	AddEmptyLineInOutputFile ()

void	Clear ()

void	CloseFile ()

G4bool	CommandsShouldBeInMaster () const

void	CreateSolvatedElectron (const G4Track , G4ThreeVector pFinalPosition=nullptr)

void	CreateWaterMolecule (ElectronicModification, G4int, const G4Track *)

void	Deregister (G4VUserChemistryList &)

void	ForceMasterReinitialization ()

void	ForceRebuildingPhysicsTable ()

void	ForceThreadReinitialization ()

G4String	GetCurrentValue (G4UIcommand *pCommand) override

void	Initialize ()

G4bool	IsChemistryActivated ()

G4bool	IsCounterResetWhenRunEnds () const

G4bool	Notify (G4ApplicationState requestedState) override

G4bool	operator!= (const G4UImessenger &messenger) const

G4bool	operator!= (const G4VStateDependent &right) const

G4bool	operator== (const G4UImessenger &messenger) const

G4bool	operator== (const G4VStateDependent &right) const

void	PushMolecule (std::unique_ptr< G4Molecule > pMolecule, G4double time, const G4ThreeVector &position, G4int parentID)

void	ResetCounterWhenRunEnds (G4bool resetCounterWhenRunEnds)

void	Run ()

void	SetChemistryActivation (G4bool)

void	SetChemistryList (G4VUserChemistryList &)

void	SetChemistryList (G4VUserChemistryList *)

void	SetChemistryList (std::unique_ptr< G4VUserChemistryList >)

void	SetGun (G4ITGun *pChemSpeciesGun)
	Inject custom species to the simulation. More...

void	SetNewValue (G4UIcommand *, G4String) override

void	SetPhysChemIO (std::unique_ptr< G4VPhysChemIO > pPhysChemIO)

void	SetVerbose (G4int verbose)

void	TagThreadForReinitialization ()

void	UseAsStandalone (G4bool flag)

void	WriteInto (const G4String &, std::ios_base::openmode mode=std::ios_base::out)

Static Public Member Functions
static void	DeleteInstance ()

static G4DNAChemistryManager *	GetInstanceIfExists ()

static G4DNAChemistryManager *	Instance ()

static G4bool	IsActivated ()

Protected Member Functions
void	AddUIcommand (G4UIcommand *newCommand)

G4String	BtoS (G4bool b)

template<typename T >
T *	CreateCommand (const G4String &cname, const G4String &dsc)

void	CreateDirectory (const G4String &path, const G4String &dsc, G4bool commandsToBeBroadcasted=true)

G4String	DtoS (G4double a)

	G4DNAChemistryManager ()

G4DNAWaterExcitationStructure *	GetExcitationLevel ()

G4DNAWaterIonisationStructure *	GetIonisationLevel ()

void	HandleStandaloneInitialization ()

void	InitializeFile ()

void	InitializeMaster ()

void	InitializeThread ()

void	InitializeThreadSharedData ()

G4String	ItoS (G4int i)

void	PushTrack (G4Track *)

void	SetGlobalTemperature (G4double temperatureKelvin)

G4bool	StoB (G4String s)

G4double	StoD (G4String s)

G4int	StoI (G4String s)

G4long	StoL (G4String s)

	~G4DNAChemistryManager () override

Protected Attributes
G4UIdirectory *	baseDir = nullptr

G4String	baseDirName = ""

G4bool	commandsShouldBeInMaster = false

Private Attributes
G4bool	fActiveChemistry

G4bool	fForceThreadReinitialization

G4bool	fGeometryClosed

G4bool	fMasterInitialized

G4bool	fOwnChemistryList

std::unique_ptr< G4UIcmdWithABool >	fpActivateChem

std::unique_ptr< G4UIdirectory >	fpChemDNADirectory

std::unique_ptr< G4DNAWaterExcitationStructure >	fpExcitationLevel

G4bool	fPhysicsTableBuilt

std::unique_ptr< G4UIcmdWithoutParameter >	fpInitChem

std::unique_ptr< G4DNAWaterIonisationStructure >	fpIonisationLevel

std::unique_ptr< G4UIcmdWithAnInteger >	fpRunChem

std::unique_ptr< G4UIcmdWithADoubleAndUnit >	fpScaleForNewTemperature

std::unique_ptr< G4UIcmdWithoutParameter >	fpSkipReactionsFromChemList

std::unique_ptr< G4VUserChemistryList >	fpUserChemistryList

G4bool	fResetCounterWhenRunEnds

G4bool	fSkipReactions

G4bool	fUseInStandalone

G4int	fVerbose

Static Private Attributes
static G4DNAChemistryManager *	fgInstance = nullptr

static G4ThreadLocal ThreadLocalData *	fpThreadData = nullptr

Detailed Description

WARNING: THIS CLASS IS A PROTOTYPE G4DNAChemistryManager is called from the physics models. It creates the water molecules and the solvated electrons and and send them to G4ITStepManager to be treated in the chemistry stage. For this, the fActiveChemistry flag needs to be on. It is also possible to give already molecule's pointers already built. G4DNAChemistryManager will then be in charge of creating the track and loading it to the IT system. The user can also ask to create a file containing a information about the creation of water molecules and solvated electrons.

Definition at line 87 of file G4DNAChemistryManager.hh.

Constructor & Destructor Documentation

◆ ~G4DNAChemistryManager()

G4DNAChemistryManager::~G4DNAChemistryManager ( )

overrideprotected

Definition at line 164 of file G4DNAChemistryManager.cc.

{
    Clear();
    fgInstance = nullptr;
}

References Clear(), and fgInstance.

◆ G4DNAChemistryManager()

G4DNAChemistryManager::G4DNAChemistryManager ( )

protected

Definition at line 101 of file G4DNAChemistryManager.cc.

        : G4UImessenger()
        , G4VStateDependent()
        , fpChemDNADirectory(new G4UIdirectory("/chem/"))
        , fpActivateChem(new G4UIcmdWithABool("/chem/activate", this))
        , fpRunChem(new G4UIcmdWithAnInteger("/chem/run", this))
        , fpSkipReactionsFromChemList(new G4UIcmdWithoutParameter("/chem/skipReactionsFromChemList", this))
        , fpScaleForNewTemperature(new G4UIcmdWithADoubleAndUnit("/chem/temperature", this))
        , fpInitChem(new G4UIcmdWithoutParameter("/chem/init", this))
        , fActiveChemistry(false)
        , fMasterInitialized(false)
        , fForceThreadReinitialization(false)
        , fpExcitationLevel(nullptr)
        , fpIonisationLevel(nullptr)
        , fpUserChemistryList(nullptr)
        , fOwnChemistryList(false)
        , fUseInStandalone(false)
        , fPhysicsTableBuilt(false)
        , fSkipReactions(false)
        , fGeometryClosed(false)
        , fVerbose(0)
        , fResetCounterWhenRunEnds(true)
{
    fpRunChem->SetParameterName("Number of runs to execute for the chemistry module"
                                "(this works when used in standalone", true, true);
    fpRunChem->SetDefaultValue(1);
    fpScaleForNewTemperature->SetUnitCategory("Temperature");
}

References fpRunChem, and fpScaleForNewTemperature.

Referenced by Instance().

Member Function Documentation

◆ AddEmptyLineInOutputFile()

void G4DNAChemistryManager::AddEmptyLineInOutputFile ( )

Definition at line 564 of file G4DNAChemistryManager.cc.

{
    if (fpThreadData->fpPhysChemIO)
    {
        fpThreadData->fpPhysChemIO->AddEmptyLineInOutputFile();
    }
}

References G4DNAChemistryManager::ThreadLocalData::fpPhysChemIO, and fpThreadData.

◆ AddUIcommand()

void G4UImessenger::AddUIcommand ( G4UIcommand * newCommand )

protectedinherited

Definition at line 149 of file G4UImessenger.cc.

{
  G4cerr << "Warning : Old style definition of G4UIcommand <"
         << newCommand->GetCommandPath() << ">." << G4endl;
}

References G4cerr, G4endl, and G4UIcommand::GetCommandPath().

◆ BtoS()

G4String G4UImessenger::BtoS ( G4bool b )

protectedinherited

Definition at line 98 of file G4UImessenger.cc.

{
  G4String vl = "0";
  if(b)
    vl = "true";
  return vl;
}

◆ Clear()

void G4DNAChemistryManager::Clear ( )

Definition at line 172 of file G4DNAChemistryManager.cc.

{
    fpIonisationLevel.reset();
    fpExcitationLevel.reset();
 
    if (fpUserChemistryList)
    {
        Deregister(*fpUserChemistryList);
    }
 
    fpChemDNADirectory.reset();
    fpActivateChem.reset();
    fpRunChem.reset();
 
    fpSkipReactionsFromChemList.reset();
    fpInitChem.reset();
 
    if (fpThreadData != nullptr)
    {
        delete fpThreadData;
        fpThreadData = nullptr;
    }
 
    G4DNAMolecularReactionTable::DeleteInstance();
    G4MolecularConfiguration::DeleteManager();
    G4VMoleculeCounter::DeleteInstance();
}

References G4VMoleculeCounter::DeleteInstance(), G4DNAMolecularReactionTable::DeleteInstance(), G4MolecularConfiguration::DeleteManager(), Deregister(), fpActivateChem, fpChemDNADirectory, fpExcitationLevel, fpInitChem, fpIonisationLevel, fpRunChem, fpSkipReactionsFromChemList, fpThreadData, and fpUserChemistryList.

Referenced by Notify(), and ~G4DNAChemistryManager().

◆ CloseFile()

void G4DNAChemistryManager::CloseFile ( )

Close the file specified with WriteInto

Definition at line 574 of file G4DNAChemistryManager.cc.

{
    if (fpThreadData->fpPhysChemIO)
    {
        fpThreadData->fpPhysChemIO->CloseFile();
    }
}

References G4DNAChemistryManager::ThreadLocalData::fpPhysChemIO, and fpThreadData.

Referenced by Run().

◆ CommandsShouldBeInMaster()

G4bool G4UImessenger::CommandsShouldBeInMaster ( ) const

inlineinherited

Definition at line 77 of file G4UImessenger.hh.

    {
      return commandsShouldBeInMaster;
    }

References G4UImessenger::commandsShouldBeInMaster.

Referenced by G4UIcommand::G4UIcommandCommonConstructorCode().

◆ CreateCommand()

template<typename T >

T * G4UImessenger::CreateCommand	(	const G4String &	cname,
		const G4String &	dsc
	)

protectedinherited

Definition at line 110 of file G4UImessenger.hh.

{
  G4String path;
  if(cname[0] != '/')
  {
    path = baseDirName + cname;
    if(path[0] != '/')
      path = "/" + path;
  }
 
  T* command = new T(path.c_str(), this);
  command->SetGuidance(dsc.c_str());
 
  return command;
}

References G4UImessenger::baseDirName.

◆ CreateDirectory()

void G4UImessenger::CreateDirectory	(	const G4String &	path,
		const G4String &	dsc,
		G4bool	commandsToBeBroadcasted = `true`
	)

protectedinherited

Definition at line 156 of file G4UImessenger.cc.

{
  G4UImanager* ui = G4UImanager::GetUIpointer();
 
  G4String fullpath = path;
  if(fullpath.back() != '/')
    fullpath.append("/");
 
  G4UIcommandTree* tree = ui->GetTree()->FindCommandTree(fullpath.c_str());
  if(tree != nullptr)
  {
    baseDirName = tree->GetPathName();
  }
  else
  {
    baseDir     = new G4UIdirectory(fullpath.c_str(), commandsToBeBroadcasted);
    baseDirName = fullpath;
    baseDir->SetGuidance(dsc.c_str());
  }
}

References G4UImessenger::baseDir, G4UImessenger::baseDirName, G4UIcommandTree::FindCommandTree(), G4UIcommandTree::GetPathName(), G4UImanager::GetTree(), G4UImanager::GetUIpointer(), and G4UIcommand::SetGuidance().

Referenced by G4MoleculeShootMessenger::G4MoleculeShootMessenger(), and G4UImessenger::G4UImessenger().

◆ CreateSolvatedElectron()

void G4DNAChemistryManager::CreateSolvatedElectron	(	const G4Track *	pIncomingTrack,
		G4ThreeVector *	pFinalPosition = `nullptr`
	)

This method should be used by the physics model of the ElectronSolvatation process.

Definition at line 662 of file G4DNAChemistryManager.cc.

{
    if (fpThreadData->fpPhysChemIO)
    {
        fpThreadData->fpPhysChemIO->CreateSolvatedElectron(pIncomingTrack,
                                                           pFinalPosition);
    }
 
    if (fActiveChemistry)
    {
        PushMolecule(std::unique_ptr<G4Molecule>(new G4Molecule(G4Electron_aq::Definition())),
                     picosecond,
                     pFinalPosition ? *pFinalPosition : pIncomingTrack->GetPosition(),
                     pIncomingTrack->GetTrackID());
    }
}

References G4Electron_aq::Definition(), fActiveChemistry, G4DNAChemistryManager::ThreadLocalData::fpPhysChemIO, fpThreadData, G4Track::GetPosition(), G4Track::GetTrackID(), picosecond, and PushMolecule().

Referenced by G4TDNAOneStepThermalizationModel< MODEL >::SampleSecondaries(), and G4DNATransformElectronModel::SampleSecondaries().

◆ CreateWaterMolecule()

void G4DNAChemistryManager::CreateWaterMolecule	(	ElectronicModification	modification,
		G4int	electronicLevel,
		const G4Track *	pIncomingTrack
	)

Method used by DNA physics model to create a water molecule. The ElectronicModification is a flag telling whether the molecule is ionized or excited, the electronic level is calculated by the model and the IncomingTrack is the track responsible for the creation of this molecule (electron, proton...).

Definition at line 606 of file G4DNAChemistryManager.cc.

{
    if (fpThreadData->fpPhysChemIO)
    {
        G4double energy = -1.;
 
        switch (modification)
        {
        case eDissociativeAttachment:
            energy = 0.;
            break;
        case eExcitedMolecule:
            energy = GetExcitationLevel()->ExcitationEnergy(electronicLevel);
            break;
        case eIonizedMolecule:
            energy = GetIonisationLevel()->IonisationEnergy(electronicLevel);
            break;
        }
 
        fpThreadData->fpPhysChemIO->CreateWaterMolecule(modification,
                                                        4 - electronicLevel,
                                                        energy,
                                                        pIncomingTrack);
    }
 
    if (fActiveChemistry)
    {
        G4Molecule* pH2OMolecule = new G4Molecule(G4H2O::Definition());
 
        switch (modification)
        {
        case eDissociativeAttachment:
            pH2OMolecule->AddElectron(5, 1);
            break;
        case eExcitedMolecule:
            pH2OMolecule->ExciteMolecule(4 - electronicLevel);
            break;
        case eIonizedMolecule:
            pH2OMolecule->IonizeMolecule(4 - electronicLevel);
            break;
        }
 
        G4Track* pH2OTrack = pH2OMolecule->BuildTrack(picosecond,
                                                      pIncomingTrack->GetPosition());
 
        pH2OTrack->SetParentID(pIncomingTrack->GetTrackID());
        pH2OTrack->SetTrackStatus(fStopButAlive);
        pH2OTrack->SetKineticEnergy(0.);
        PushTrack(pH2OTrack);
    }
}

References G4Molecule::AddElectron(), G4Molecule::BuildTrack(), G4H2O::Definition(), eDissociativeAttachment, eExcitedMolecule, eIonizedMolecule, G4INCL::KinematicsUtils::energy(), G4DNAWaterExcitationStructure::ExcitationEnergy(), G4Molecule::ExciteMolecule(), fActiveChemistry, G4DNAChemistryManager::ThreadLocalData::fpPhysChemIO, fpThreadData, fStopButAlive, GetExcitationLevel(), GetIonisationLevel(), G4Track::GetPosition(), G4Track::GetTrackID(), G4DNAWaterIonisationStructure::IonisationEnergy(), G4Molecule::IonizeMolecule(), picosecond, PushTrack(), G4Track::SetKineticEnergy(), G4Track::SetParentID(), and G4Track::SetTrackStatus().

◆ DeleteInstance()

void G4DNAChemistryManager::DeleteInstance ( )

static

Definition at line 202 of file G4DNAChemistryManager.cc.

{
    G4AutoLock lock(&chemManExistence);
 
    if (fgInstance != nullptr)
    {
        G4DNAChemistryManager* pDeleteMe = fgInstance;
        fgInstance = nullptr;
        lock.unlock();
        delete pDeleteMe;
    }
    else
    {
        G4cerr << "G4DNAChemistryManager already deleted" << G4endl;
    }
    lock.unlock();
}

References chemManExistence, fgInstance, G4cerr, G4endl, and G4TemplateAutoLock< _Mutex_t >::unlock().

◆ Deregister()

void G4DNAChemistryManager::Deregister ( G4VUserChemistryList & chemistryList )

Definition at line 730 of file G4DNAChemistryManager.cc.

{
    if (fpUserChemistryList.get() == &chemistryList)
    {
        if (!fpUserChemistryList->IsPhysicsConstructor() || fOwnChemistryList)
        {
            fpUserChemistryList.reset();
        }
 
        fpUserChemistryList.release();
    }
}

References fOwnChemistryList, and fpUserChemistryList.

Referenced by Clear(), and G4VUserChemistryList::~G4VUserChemistryList().

◆ DtoS()

G4String G4UImessenger::DtoS ( G4double a )

protectedinherited

Definition at line 90 of file G4UImessenger.cc.

{
  std::ostringstream os;
  os << a;
  return G4String(os.str());
}

Referenced by G4ScoreQuantityMessenger::FilterCommands(), and G4UIcontrolMessenger::SetNewValue().

◆ ForceMasterReinitialization()

void G4DNAChemistryManager::ForceMasterReinitialization ( )

Definition at line 780 of file G4DNAChemistryManager.cc.

{
    fMasterInitialized = false;
    InitializeMaster();
}

References fMasterInitialized, and InitializeMaster().

◆ ForceRebuildingPhysicsTable()

void G4DNAChemistryManager::ForceRebuildingPhysicsTable ( )

Definition at line 773 of file G4DNAChemistryManager.cc.

{
    fPhysicsTableBuilt = false;
}

References fPhysicsTableBuilt.

◆ ForceThreadReinitialization()

void G4DNAChemistryManager::ForceThreadReinitialization ( )

Definition at line 788 of file G4DNAChemistryManager.cc.

{
    fForceThreadReinitialization = true;
}

References fForceThreadReinitialization.

◆ GetCurrentValue()

G4String G4DNAChemistryManager::GetCurrentValue ( G4UIcommand * pCommand )

overridevirtual

Reimplemented from G4UImessenger.

Definition at line 278 of file G4DNAChemistryManager.cc.

{
    if (pCommand == fpActivateChem.get())
    {
        return G4UIcmdWithABool::ConvertToString(fActiveChemistry);
    }
    else if (pCommand == fpScaleForNewTemperature.get())
    {
        return fpScaleForNewTemperature->ConvertToStringWithBestUnit(G4MolecularConfiguration::GetGlobalTemperature());
    }
    else if (pCommand == fpSkipReactionsFromChemList.get())
    {
        return G4UIcmdWithABool::ConvertToString(fSkipReactions);
    }
 
    return "";
}

References G4UIcommand::ConvertToString(), fActiveChemistry, fpActivateChem, fpScaleForNewTemperature, fpSkipReactionsFromChemList, fSkipReactions, and G4MolecularConfiguration::GetGlobalTemperature().

◆ GetExcitationLevel()

G4DNAWaterExcitationStructure * G4DNAChemistryManager::GetExcitationLevel ( )

protected

Definition at line 584 of file G4DNAChemistryManager.cc.

{
    if (!fpExcitationLevel)
    {
        fpExcitationLevel.reset(new G4DNAWaterExcitationStructure);
    }
    return fpExcitationLevel.get();
}

References fpExcitationLevel.

Referenced by CreateWaterMolecule().

◆ GetInstanceIfExists()

G4DNAChemistryManager * G4DNAChemistryManager::GetInstanceIfExists ( )

static

Definition at line 157 of file G4DNAChemistryManager.cc.

{
    return fgInstance;
}

References fgInstance.

Referenced by G4VUserChemistryList::~G4VUserChemistryList().

◆ GetIonisationLevel()

G4DNAWaterIonisationStructure * G4DNAChemistryManager::GetIonisationLevel ( )

protected

Definition at line 595 of file G4DNAChemistryManager.cc.

{
    if (!fpIonisationLevel)
    {
        fpIonisationLevel.reset(new G4DNAWaterIonisationStructure);
    }
    return fpIonisationLevel.get();
}

References fpIonisationLevel.

Referenced by CreateWaterMolecule().

◆ HandleStandaloneInitialization()

void G4DNAChemistryManager::HandleStandaloneInitialization ( )

protected

Definition at line 438 of file G4DNAChemistryManager.cc.

{
    if (!fUseInStandalone || fPhysicsTableBuilt)
    {
        return;
    }
 
    if (fVerbose)
    {
        G4cout << "G4DNAChemistryManager: Build the physics tables for "
                  "molecule definition only."
               << G4endl;
    }
 
    fpUserChemistryList->BuildPhysicsTable();
 
    if (!fGeometryClosed)
    {
        if (fVerbose)
        {
            G4cout << "G4DNAChemistryManager: Close geometry" << G4endl;
        }
 
        G4GeometryManager* pGeomManager = G4GeometryManager::GetInstance();
        pGeomManager->OpenGeometry();
        pGeomManager->CloseGeometry(true, true);
        fGeometryClosed = true;
    }
 
    fPhysicsTableBuilt = true;
}

References G4GeometryManager::CloseGeometry(), fGeometryClosed, fPhysicsTableBuilt, fpUserChemistryList, fUseInStandalone, fVerbose, G4cout, G4endl, G4GeometryManager::GetInstance(), and G4GeometryManager::OpenGeometry().

Referenced by InitializeThread().

◆ Initialize()

void G4DNAChemistryManager::Initialize ( )

Definition at line 360 of file G4DNAChemistryManager.cc.

{
    //===========================================================================
    // MT MODE
    //===========================================================================
    if (G4Threading::IsMultithreadedApplication())
    {
        //==========================================================================
        // ON WORKER THREAD
        //==========================================================================
        if (G4Threading::IsWorkerThread())
        {
            InitializeThread(); // Will create and initialize G4Scheduler
            return;
        }
        //==========================================================================
        // ON MASTER THREAD
        //==========================================================================
        else
        {
            InitializeMaster();
            InitializeThreadSharedData();
            return;
        }
    }
    //===========================================================================
    // IS NOT IN MT MODE
    //===========================================================================
    else
    {
        InitializeMaster();
        InitializeThreadSharedData();
        // In this case: InitializeThread is called when Run() is called
        return;
    }
}

References InitializeMaster(), InitializeThread(), InitializeThreadSharedData(), G4Threading::IsMultithreadedApplication(), and G4Threading::IsWorkerThread().

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

◆ InitializeFile()

void G4DNAChemistryManager::InitializeFile ( )

protected

Definition at line 507 of file G4DNAChemistryManager.cc.

{
    if (fVerbose)
    {
        G4cout << "G4DNAChemistryManager::InitializeFile() is called"
               << G4endl;
    }
 
    if (fpThreadData->fpPhysChemIO)
    {
        fpThreadData->fpPhysChemIO->InitializeFile();
    }
}

References G4DNAChemistryManager::ThreadLocalData::fpPhysChemIO, fpThreadData, fVerbose, G4cout, and G4endl.

Referenced by InitializeThread().

◆ InitializeMaster()

void G4DNAChemistryManager::InitializeMaster ( )

protected

Definition at line 399 of file G4DNAChemistryManager.cc.

{
    if (fMasterInitialized)
    {
        return;
    }
 
    if (fVerbose)
    {
        G4cout << "G4DNAChemistryManager::InitializeMaster() is called" << G4endl;
    }
 
 
    if (fpUserChemistryList == nullptr)
    {
        G4ExceptionDescription description;
        description << "No user chemistry list has been provided.";
        G4Exception("G4DNAChemistryManager::InitializeMaster", "NO_CHEM_LIST",
                    FatalException, description);
    }
 
    G4Scheduler::Instance();
    // creates a concrete object of the scheduler
 
 
    fpUserChemistryList->ConstructDissociationChannels();
    if (!fSkipReactions)
    {
        fpUserChemistryList->ConstructReactionTable(G4DNAMolecularReactionTable::GetReactionTable());
    }
    else
    {
        G4DNAMolecularReactionTable::GetReactionTable(); // init pointer
    }
    fMasterInitialized = true;
}

References FatalException, fMasterInitialized, fpUserChemistryList, fSkipReactions, fVerbose, G4cout, G4endl, G4Exception(), G4DNAMolecularReactionTable::GetReactionTable(), and G4Scheduler::Instance().

Referenced by ForceMasterReinitialization(), and Initialize().

◆ InitializeThread()

void G4DNAChemistryManager::InitializeThread ( )

protected

Definition at line 472 of file G4DNAChemistryManager.cc.

{
    if (fpThreadData->fThreadInitialized && !fForceThreadReinitialization)
    {
        return;
    }
 
    if (fpUserChemistryList == nullptr)
    {
        G4ExceptionDescription description;
        description << "No user chemistry list has been provided.";
        G4Exception("G4DNAChemistryManager::InitializeThread", "NO_CHEM_LIST",
                    FatalException, description);
    }
 
    if (fVerbose)
    {
        G4cout << "G4DNAChemistryManager::InitializeThread() is called"
               << G4endl;
    }
 
    HandleStandaloneInitialization();
 
    fpUserChemistryList->ConstructTimeStepModel(G4DNAMolecularReactionTable::GetReactionTable());
    G4Scheduler::Instance()->Initialize();
 
    fpThreadData->fThreadInitialized = true;
 
    G4VMoleculeCounter::InitializeInstance();
 
    InitializeFile();
}

References FatalException, fForceThreadReinitialization, fpThreadData, fpUserChemistryList, G4DNAChemistryManager::ThreadLocalData::fThreadInitialized, fVerbose, G4cout, G4endl, G4Exception(), G4DNAMolecularReactionTable::GetReactionTable(), HandleStandaloneInitialization(), G4Scheduler::Initialize(), InitializeFile(), G4VMoleculeCounter::InitializeInstance(), and G4Scheduler::Instance().

Referenced by Initialize(), Run(), and SetNewValue().

◆ InitializeThreadSharedData()

void G4DNAChemistryManager::InitializeThreadSharedData ( )

protected

Definition at line 298 of file G4DNAChemistryManager.cc.

{
    if (!G4Threading::IsMasterThread())
    {
        return;
    }
 
    G4MoleculeTable::Instance()->PrepareMolecularConfiguration();
    G4MoleculeTable::Instance()->Finalize();
}

References G4MoleculeTable::Finalize(), G4MoleculeTable::Instance(), G4Threading::IsMasterThread(), and G4MoleculeTable::PrepareMolecularConfiguration().

Referenced by Initialize(), and Notify().

◆ Instance()

G4DNAChemistryManager * G4DNAChemistryManager::Instance ( )

static

Definition at line 132 of file G4DNAChemistryManager.cc.

{
    if (fgInstance == nullptr)
    {
        G4AutoLock lock(&chemManExistence);
        if (fgInstance == nullptr) // MT : double check at initialisation
        {
            fgInstance = new G4DNAChemistryManager();
        }
        lock.unlock();
    }
 
    // make sure thread local data is initialized for all threads
    if (fpThreadData == nullptr)
    {
        fpThreadData = new ThreadLocalData();
    }
 
    assert(fpThreadData != nullptr);
 
    return fgInstance;
}

References chemManExistence, fgInstance, fpThreadData, G4DNAChemistryManager(), and G4TemplateAutoLock< _Mutex_t >::unlock().

◆ IsActivated()

G4bool G4DNAChemistryManager::IsActivated ( )

static

Definition at line 523 of file G4DNAChemistryManager.cc.

{
    return fgInstance ? fgInstance->IsChemistryActivated() : false;
}

References fgInstance, and IsChemistryActivated().

Referenced by G4TDNAOneStepThermalizationModel< MODEL >::SampleSecondaries().

◆ IsChemistryActivated()

G4bool G4DNAChemistryManager::IsChemistryActivated ( )

Definition at line 530 of file G4DNAChemistryManager.cc.

{
    return fActiveChemistry;
}

References fActiveChemistry.

Referenced by IsActivated().

◆ IsCounterResetWhenRunEnds()

G4bool G4DNAChemistryManager::IsCounterResetWhenRunEnds ( ) const

Definition at line 759 of file G4DNAChemistryManager.cc.

{
    return fResetCounterWhenRunEnds;
}

References fResetCounterWhenRunEnds.

◆ ItoS()

G4String G4UImessenger::ItoS ( G4int i )

protectedinherited

Definition at line 82 of file G4UImessenger.cc.

{
  std::ostringstream os;
  os << i;
  return G4String(os.str());
}

Referenced by G4GenericMessenger::DeclareMethod(), and G4ParticleGunMessenger::GetCurrentValue().

◆ Notify()

G4bool G4DNAChemistryManager::Notify ( G4ApplicationState requestedState )

overridevirtual

Implements G4VStateDependent.

Definition at line 222 of file G4DNAChemistryManager.cc.

{
    if (requestedState == G4State_Quit)
    {
        if (fVerbose)
        {
            G4cout << "G4DNAChemistryManager::Notify ---> received G4State_Quit"
                   << G4endl;
        }
        Clear();
    }
    else if (requestedState == G4State_GeomClosed)
    {
        fGeometryClosed = true;
    }
    else if (requestedState == G4State_Idle)
    {
        InitializeThreadSharedData();
    }
 
    return true;
}

References Clear(), fGeometryClosed, fVerbose, G4cout, G4endl, G4State_GeomClosed, G4State_Idle, G4State_Quit, and InitializeThreadSharedData().

◆ operator!=() [1/2]

G4bool G4UImessenger::operator!= ( const G4UImessenger & messenger ) const

inherited

Definition at line 76 of file G4UImessenger.cc.

{
  return this != &messenger;
}

◆ operator!=() [2/2]

G4bool G4VStateDependent::operator!= ( const G4VStateDependent & right ) const

inherited

Definition at line 66 of file G4VStateDependent.cc.

{
  return (this != &right);
}

◆ operator==() [1/2]

G4bool G4UImessenger::operator== ( const G4UImessenger & messenger ) const

inherited

Definition at line 70 of file G4UImessenger.cc.

{
  return this == &messenger;
}

◆ operator==() [2/2]

G4bool G4VStateDependent::operator== ( const G4VStateDependent & right ) const

inherited

Definition at line 61 of file G4VStateDependent.cc.

{
  return (this == &right);
}

◆ PushMolecule()

void G4DNAChemistryManager::PushMolecule	(	std::unique_ptr< G4Molecule >	pMolecule,
		G4double	time,
		const G4ThreeVector &	position,
		G4int	parentID
	)

Definition at line 682 of file G4DNAChemistryManager.cc.

{
    assert(fActiveChemistry
           && "To inject chemical species, the chemistry must be activated. "
              "Check chemistry activation before injecting species.");
    G4Track* pTrack = pMolecule->BuildTrack(time, position);
    pTrack->SetTrackStatus(fAlive);
    pTrack->SetParentID(parentID);
    pMolecule.release();
    PushTrack(pTrack);
}

References fActiveChemistry, fAlive, PushTrack(), G4Track::SetParentID(), and G4Track::SetTrackStatus().

Referenced by CreateSolvatedElectron().

◆ PushTrack()

void G4DNAChemistryManager::PushTrack ( G4Track * pTrack )

protected

Definition at line 745 of file G4DNAChemistryManager.cc.

{
    G4ITTrackHolder::Instance()->Push(pTrack);
}

References G4ITTrackHolder::Instance(), and G4ITTrackHolder::Push().

Referenced by CreateWaterMolecule(), and PushMolecule().

◆ ResetCounterWhenRunEnds()

void G4DNAChemistryManager::ResetCounterWhenRunEnds ( G4bool resetCounterWhenRunEnds )

Definition at line 766 of file G4DNAChemistryManager.cc.

{
    fResetCounterWhenRunEnds = resetCounterWhenRunEnds;
}

References fResetCounterWhenRunEnds.

◆ Run()

void G4DNAChemistryManager::Run ( )

Definition at line 310 of file G4DNAChemistryManager.cc.

{
    if (!fActiveChemistry)
    {
        return;
    }
 
    InitializeThread();
 
    if (!fMasterInitialized)
    {
        G4ExceptionDescription description;
        description << "Global components were not initialized.";
        G4Exception("G4DNAChemistryManager::Run", "MASTER_INIT", FatalException,
                    description);
    }
 
    if (!fpThreadData->fThreadInitialized)
    {
        G4ExceptionDescription description;
        description << "Thread local components were not initialized.";
        G4Exception("G4DNAChemistryManager::Run", "THREAD_INIT", FatalException,
                    description);
    }
    
    G4MoleculeTable::Instance()->Finalize();
    G4Scheduler::Instance()->Process();
    if (fResetCounterWhenRunEnds)
    {
        G4VMoleculeCounter::Instance()->ResetCounter();
    }
    CloseFile();
}

References CloseFile(), fActiveChemistry, FatalException, G4MoleculeTable::Finalize(), fMasterInitialized, fpThreadData, fResetCounterWhenRunEnds, G4DNAChemistryManager::ThreadLocalData::fThreadInitialized, G4Exception(), InitializeThread(), G4Scheduler::Instance(), G4MoleculeTable::Instance(), G4VMoleculeCounter::Instance(), G4Scheduler::Process(), and G4VMoleculeCounter::ResetCounter().

Referenced by SetNewValue().

◆ SetChemistryActivation()

void G4DNAChemistryManager::SetChemistryActivation ( G4bool flag )

Definition at line 537 of file G4DNAChemistryManager.cc.

{
    fActiveChemistry = flag;
}

References fActiveChemistry.

Referenced by SetChemistryList(), and SetNewValue().

◆ SetChemistryList() [1/3]

void G4DNAChemistryManager::SetChemistryList ( G4VUserChemistryList & chemistryList )

Chemistry list is managed outside the chemistry manager (eg. constructor).

Definition at line 714 of file G4DNAChemistryManager.cc.

{
    fpUserChemistryList.reset(&chemistryList);
    fOwnChemistryList = false;
    SetChemistryActivation(true);
}

References fOwnChemistryList, fpUserChemistryList, and SetChemistryActivation().

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

◆ SetChemistryList() [2/3]

void G4DNAChemistryManager::SetChemistryList ( G4VUserChemistryList * pChemistryList )

Definition at line 707 of file G4DNAChemistryManager.cc.

{
    fpUserChemistryList.reset(pChemistryList);
    fOwnChemistryList = false;
    SetChemistryActivation(true);
}

References fOwnChemistryList, fpUserChemistryList, and SetChemistryActivation().

◆ SetChemistryList() [3/3]

void G4DNAChemistryManager::SetChemistryList ( std::unique_ptr< G4VUserChemistryList > pChemistryList )

Not a constructor or when used in standalone? Prefer this method.

Definition at line 721 of file G4DNAChemistryManager.cc.

{
    fpUserChemistryList = std::move(pChemistryList);
    fOwnChemistryList = true;
    SetChemistryActivation(true);
}

References fOwnChemistryList, fpUserChemistryList, and SetChemistryActivation().

◆ SetGlobalTemperature()

void G4DNAChemistryManager::SetGlobalTemperature ( G4double temperatureKelvin )

protected

Definition at line 699 of file G4DNAChemistryManager.cc.

{
    G4MolecularConfiguration::SetGlobalTemperature(temp_K);
    G4DNAMolecularReactionTable::Instance()->ScaleReactionRateForNewTemperature(temp_K);
}

References G4DNAMolecularReactionTable::Instance(), G4DNAMolecularReactionTable::ScaleReactionRateForNewTemperature(), and G4MolecularConfiguration::SetGlobalTemperature().

Referenced by SetNewValue().

◆ SetGun()

void G4DNAChemistryManager::SetGun ( G4ITGun * pChemSpeciesGun )

Inject custom species to the simulation.

This method should be called per thread, possibly from ActionInitialisation::Build. One can decide to set the same gun for all threads. It is the user responsibility to handle the pointer deletion.

Definition at line 353 of file G4DNAChemistryManager.cc.

{
    G4Scheduler::Instance()->SetGun(pChemGun);
}

References G4Scheduler::Instance(), and G4Scheduler::SetGun().

◆ SetNewValue()

void G4DNAChemistryManager::SetNewValue	(	G4UIcommand *	pCommand,
		G4String	value
	)

overridevirtual

Reimplemented from G4UImessenger.

Definition at line 247 of file G4DNAChemistryManager.cc.

{
    if (pCommand == fpActivateChem.get())
    {
        SetChemistryActivation(G4UIcmdWithABool::GetNewBoolValue(value));
    }
    else if (pCommand == fpRunChem.get())
    {
        int nbExec = value.empty() ? 1 : G4UIcommand::ConvertToInt(value);
        for (int i = 0 ; i < nbExec ; ++i)
        {
            Run();
        }
    }
    else if (pCommand == fpSkipReactionsFromChemList.get())
    {
        fSkipReactions = true;
    }
    else if (pCommand == fpScaleForNewTemperature.get())
    {
        SetGlobalTemperature(fpScaleForNewTemperature->ConvertToDimensionedDouble(value));
    }
    else if (pCommand == fpInitChem.get())
    {
        Initialize();
        InitializeThread();
    }
}

References G4UIcommand::ConvertToInt(), fpActivateChem, fpInitChem, fpRunChem, fpScaleForNewTemperature, fpSkipReactionsFromChemList, fSkipReactions, G4UIcmdWithABool::GetNewBoolValue(), Initialize(), InitializeThread(), Run(), SetChemistryActivation(), and SetGlobalTemperature().

◆ SetPhysChemIO()

void G4DNAChemistryManager::SetPhysChemIO ( std::unique_ptr< G4VPhysChemIO > pPhysChemIO )

Definition at line 88 of file G4DNAChemistryManager.cc.

{
    fpThreadData->fpPhysChemIO = std::move(pPhysChemIO);
}

References G4DNAChemistryManager::ThreadLocalData::fpPhysChemIO, and fpThreadData.

◆ SetVerbose()

void G4DNAChemistryManager::SetVerbose ( G4int verbose )

Definition at line 752 of file G4DNAChemistryManager.cc.

{
    fVerbose = verbose;
}

References fVerbose.

◆ StoB()

G4bool G4UImessenger::StoB ( G4String s )

protectedinherited

Definition at line 137 of file G4UImessenger.cc.

{
  G4String v = G4StrUtil::to_upper_copy(str);
  G4bool vl = false;
  if(v == "Y" || v == "YES" || v == "1" || v == "T" || v == "TRUE")
  {
    vl = true;
  }
  return vl;
}

References G4StrUtil::to_upper_copy().

Referenced by G4LocalThreadCoutMessenger::SetNewValue(), G4CascadeParamMessenger::SetNewValue(), G4ScoreQuantityMessenger::SetNewValue(), and G4ScoringMessenger::SetNewValue().

◆ StoD()

G4double G4UImessenger::StoD ( G4String s )

protectedinherited

Definition at line 127 of file G4UImessenger.cc.

{
  G4double vl;
  const char* t = str;
  std::istringstream is(t);
  is >> vl;
  return vl;
}

Referenced by G4ScoreQuantityMessenger::FParticleWithEnergyCommand(), G4ParticleGunMessenger::IonCommand(), G4GeneralParticleSourceMessenger::IonCommand(), G4UIcontrolMessenger::SetNewValue(), G4MatScanMessenger::SetNewValue(), G4VisCommandSceneAddText::SetNewValue(), G4VisCommandSceneAddText2D::SetNewValue(), G4ScoreQuantityMessenger::SetNewValue(), G4ScoringMessenger::SetNewValue(), and G4PolarizationMessenger::SetNewValue().

◆ StoI()

G4int G4UImessenger::StoI ( G4String s )

protectedinherited

Definition at line 107 of file G4UImessenger.cc.

{
  G4int vl;
  const char* t = str;
  std::istringstream is(t);
  is >> vl;
  return vl;
}

Referenced by G4ScoringMessenger::Fill1D(), G4ParticleGunMessenger::IonCommand(), G4GeneralParticleSourceMessenger::IonCommand(), G4ParticleGunMessenger::IonLevelCommand(), G4GeneralParticleSourceMessenger::IonLvlCommand(), G4ScoringMessenger::MeshBinCommand(), G4LocalThreadCoutMessenger::SetNewValue(), G4UIcontrolMessenger::SetNewValue(), G4MatScanMessenger::SetNewValue(), G4GMocrenMessenger::SetNewValue(), G4ScoreQuantityMessenger::SetNewValue(), and G4ScoringMessenger::SetNewValue().

◆ StoL()

G4long G4UImessenger::StoL ( G4String s )

protectedinherited

Definition at line 117 of file G4UImessenger.cc.

{
  G4long vl;
  const char* t = str;
  std::istringstream is(t);
  is >> vl;
  return vl;
}

Referenced by G4RunMessenger::SetNewValue().

◆ TagThreadForReinitialization()

void G4DNAChemistryManager::TagThreadForReinitialization ( )

Definition at line 795 of file G4DNAChemistryManager.cc.

{
    fpThreadData->fThreadInitialized = false;
}

References fpThreadData, and G4DNAChemistryManager::ThreadLocalData::fThreadInitialized.

◆ UseAsStandalone()

void G4DNAChemistryManager::UseAsStandalone ( G4bool flag )

If the chemistry module is used in standalone (ie. without running the physics stage beforehand), the physics table still needs to be built. It is therefore necessary to flag the chemistry module as being run in standalone.

Definition at line 346 of file G4DNAChemistryManager.cc.

{
    fUseInStandalone = flag;
}

References fUseInStandalone.

◆ WriteInto()

void G4DNAChemistryManager::WriteInto	(	const G4String &	output,
		std::ios_base::openmode	mode = `std::ios_base::out`
	)

Tells the chemMan to write into a file the position and electronic state of the water molecule and the position thermalized or not of the solvated electron

Definition at line 544 of file G4DNAChemistryManager.cc.

{
    if (fVerbose)
    {
        G4cout << "G4DNAChemistryManager: Write chemical stage into "
               << output.data() << G4endl;
    }
 
    if (!fpThreadData->fpPhysChemIO)
    {
        fpThreadData->fpPhysChemIO.reset(new G4PhysChemIO::FormattedText());
    }
 
    fpThreadData->fpPhysChemIO->WriteInto(output, mode);
 
}

References G4DNAChemistryManager::ThreadLocalData::fpPhysChemIO, fpThreadData, fVerbose, G4cout, and G4endl.

Field Documentation

◆ baseDir

G4UIdirectory* G4UImessenger::baseDir = nullptr

protectedinherited

Definition at line 102 of file G4UImessenger.hh.

Referenced by G4UImessenger::CreateDirectory(), and G4UImessenger::~G4UImessenger().

◆ baseDirName

G4String G4UImessenger::baseDirName = ""

protectedinherited

Definition at line 103 of file G4UImessenger.hh.

Referenced by G4UImessenger::CreateCommand(), and G4UImessenger::CreateDirectory().

◆ commandsShouldBeInMaster

G4bool G4UImessenger::commandsShouldBeInMaster = false

protectedinherited

Definition at line 104 of file G4UImessenger.hh.

Referenced by G4UImessenger::CommandsShouldBeInMaster(), and G4GeneralParticleSourceMessenger::G4GeneralParticleSourceMessenger().

◆ fActiveChemistry

G4bool G4DNAChemistryManager::fActiveChemistry

private

Definition at line 228 of file G4DNAChemistryManager.hh.

Referenced by CreateSolvatedElectron(), CreateWaterMolecule(), GetCurrentValue(), IsChemistryActivated(), PushMolecule(), Run(), and SetChemistryActivation().

◆ fForceThreadReinitialization

G4bool G4DNAChemistryManager::fForceThreadReinitialization

private

Definition at line 240 of file G4DNAChemistryManager.hh.

Referenced by ForceThreadReinitialization(), and InitializeThread().

◆ fGeometryClosed

G4bool G4DNAChemistryManager::fGeometryClosed

private

Definition at line 251 of file G4DNAChemistryManager.hh.

Referenced by HandleStandaloneInitialization(), and Notify().

◆ fgInstance

G4DNAChemistryManager * G4DNAChemistryManager::fgInstance = nullptr

staticprivate

Definition at line 227 of file G4DNAChemistryManager.hh.

Referenced by DeleteInstance(), GetInstanceIfExists(), Instance(), IsActivated(), and ~G4DNAChemistryManager().

◆ fMasterInitialized

G4bool G4DNAChemistryManager::fMasterInitialized

private

Definition at line 239 of file G4DNAChemistryManager.hh.

Referenced by ForceMasterReinitialization(), InitializeMaster(), and Run().

◆ fOwnChemistryList

G4bool G4DNAChemistryManager::fOwnChemistryList

private

Definition at line 246 of file G4DNAChemistryManager.hh.

Referenced by Deregister(), and SetChemistryList().

◆ fpActivateChem

std::unique_ptr<G4UIcmdWithABool> G4DNAChemistryManager::fpActivateChem

private

Definition at line 221 of file G4DNAChemistryManager.hh.

Referenced by Clear(), GetCurrentValue(), and SetNewValue().

◆ fpChemDNADirectory

std::unique_ptr<G4UIdirectory> G4DNAChemistryManager::fpChemDNADirectory

private

Definition at line 220 of file G4DNAChemistryManager.hh.

Referenced by Clear().

◆ fpExcitationLevel

std::unique_ptr<G4DNAWaterExcitationStructure> G4DNAChemistryManager::fpExcitationLevel

private

Definition at line 242 of file G4DNAChemistryManager.hh.

Referenced by Clear(), and GetExcitationLevel().

◆ fPhysicsTableBuilt

G4bool G4DNAChemistryManager::fPhysicsTableBuilt

private

Definition at line 248 of file G4DNAChemistryManager.hh.

Referenced by ForceRebuildingPhysicsTable(), and HandleStandaloneInitialization().

◆ fpInitChem

std::unique_ptr<G4UIcmdWithoutParameter> G4DNAChemistryManager::fpInitChem

private

Definition at line 225 of file G4DNAChemistryManager.hh.

Referenced by Clear(), and SetNewValue().

◆ fpIonisationLevel

std::unique_ptr<G4DNAWaterIonisationStructure> G4DNAChemistryManager::fpIonisationLevel

private

Definition at line 243 of file G4DNAChemistryManager.hh.

Referenced by Clear(), and GetIonisationLevel().

◆ fpRunChem

std::unique_ptr<G4UIcmdWithAnInteger> G4DNAChemistryManager::fpRunChem

private

Definition at line 222 of file G4DNAChemistryManager.hh.

Referenced by Clear(), G4DNAChemistryManager(), and SetNewValue().

◆ fpScaleForNewTemperature

std::unique_ptr<G4UIcmdWithADoubleAndUnit> G4DNAChemistryManager::fpScaleForNewTemperature

private

Definition at line 224 of file G4DNAChemistryManager.hh.

Referenced by G4DNAChemistryManager(), GetCurrentValue(), and SetNewValue().

◆ fpSkipReactionsFromChemList

std::unique_ptr<G4UIcmdWithoutParameter> G4DNAChemistryManager::fpSkipReactionsFromChemList

private

Definition at line 223 of file G4DNAChemistryManager.hh.

Referenced by Clear(), GetCurrentValue(), and SetNewValue().

◆ fpThreadData

G4ThreadLocal G4DNAChemistryManager::ThreadLocalData * G4DNAChemistryManager::fpThreadData = nullptr

staticprivate

Definition at line 237 of file G4DNAChemistryManager.hh.

Referenced by AddEmptyLineInOutputFile(), Clear(), CloseFile(), CreateSolvatedElectron(), CreateWaterMolecule(), InitializeFile(), InitializeThread(), Instance(), Run(), SetPhysChemIO(), TagThreadForReinitialization(), WriteInto(), and G4DNAChemistryManager::ThreadLocalData::~ThreadLocalData().

◆ fpUserChemistryList

std::unique_ptr<G4VUserChemistryList> G4DNAChemistryManager::fpUserChemistryList

private

Definition at line 245 of file G4DNAChemistryManager.hh.

Referenced by Clear(), Deregister(), HandleStandaloneInitialization(), InitializeMaster(), InitializeThread(), and SetChemistryList().

◆ fResetCounterWhenRunEnds

G4bool G4DNAChemistryManager::fResetCounterWhenRunEnds

private

Definition at line 254 of file G4DNAChemistryManager.hh.

Referenced by IsCounterResetWhenRunEnds(), ResetCounterWhenRunEnds(), and Run().

◆ fSkipReactions

G4bool G4DNAChemistryManager::fSkipReactions

private

Definition at line 249 of file G4DNAChemistryManager.hh.

Referenced by GetCurrentValue(), InitializeMaster(), and SetNewValue().

◆ fUseInStandalone

G4bool G4DNAChemistryManager::fUseInStandalone

private

Definition at line 247 of file G4DNAChemistryManager.hh.

Referenced by HandleStandaloneInitialization(), and UseAsStandalone().

◆ fVerbose

G4int G4DNAChemistryManager::fVerbose

private

Definition at line 253 of file G4DNAChemistryManager.hh.

Referenced by HandleStandaloneInitialization(), InitializeFile(), InitializeMaster(), InitializeThread(), Notify(), SetVerbose(), and WriteInto().

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

source/processes/electromagnetic/dna/utils/include/G4DNAChemistryManager.hh
source/processes/electromagnetic/dna/utils/src/G4DNAChemistryManager.cc

Data Structures

Public Member Functions

Static Public Member Functions

Protected Member Functions

Protected Attributes

Private Attributes

Static Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ ~G4DNAChemistryManager()

◆ G4DNAChemistryManager()

Member Function Documentation

◆ AddEmptyLineInOutputFile()

◆ AddUIcommand()

◆ BtoS()

◆ Clear()

◆ CloseFile()

◆ CommandsShouldBeInMaster()

◆ CreateCommand()

◆ CreateDirectory()

◆ CreateSolvatedElectron()

◆ CreateWaterMolecule()

◆ DeleteInstance()

◆ Deregister()

◆ DtoS()

◆ ForceMasterReinitialization()

◆ ForceRebuildingPhysicsTable()

◆ ForceThreadReinitialization()

◆ GetCurrentValue()

◆ GetExcitationLevel()

◆ GetInstanceIfExists()

◆ GetIonisationLevel()

◆ HandleStandaloneInitialization()

◆ Initialize()

◆ InitializeFile()

◆ InitializeMaster()

◆ InitializeThread()

◆ InitializeThreadSharedData()

◆ Instance()

◆ IsActivated()

◆ IsChemistryActivated()

◆ IsCounterResetWhenRunEnds()

◆ ItoS()

◆ Notify()

◆ operator!=() [1/2]

◆ operator!=() [2/2]

◆ operator==() [1/2]

◆ operator==() [2/2]

◆ PushMolecule()

◆ PushTrack()

◆ ResetCounterWhenRunEnds()

◆ Run()

◆ SetChemistryActivation()

◆ SetChemistryList() [1/3]

◆ SetChemistryList() [2/3]

◆ SetChemistryList() [3/3]

◆ SetGlobalTemperature()

◆ SetGun()

◆ SetNewValue()

◆ SetPhysChemIO()

◆ SetVerbose()

◆ StoB()

◆ StoD()

◆ StoI()

◆ StoL()

◆ TagThreadForReinitialization()

◆ UseAsStandalone()

◆ WriteInto()

Field Documentation

◆ baseDir

◆ baseDirName

◆ commandsShouldBeInMaster

◆ fActiveChemistry

◆ fForceThreadReinitialization

◆ fGeometryClosed

◆ fgInstance

◆ fMasterInitialized

◆ fOwnChemistryList

◆ fpActivateChem

◆ fpChemDNADirectory