#include <G4PhysChemIO.hh>

Inheritance diagram for G4PhysChemIO::G4Analysis:

Public Member Functions
	G4Analysis (G4VAnalysisManager *)

	~G4Analysis () override

void	InitializeMaster () override

void	InitializeThread () override

void	InitializeFile () override

void	NewRun () override

void	NewEvent () override

void	CreateWaterMolecule (G4int electronicModif, G4int, G4double energy, const G4Track *) override

void	CreateSolvatedElectron (const G4Track , G4ThreeVector finalPosition=nullptr) override

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

void	AddEmptyLineInOutputFile () override

void	CloseFile () override

Public Member Functions inherited from G4VPhysChemIO
	G4VPhysChemIO ()

virtual	~G4VPhysChemIO ()

Protected Attributes
G4VAnalysisManager *	fpAnalysisManager

int	fNtupleID

G4bool	fFileInitialized

Detailed Description

Definition at line 101 of file G4PhysChemIO.hh.

Constructor & Destructor Documentation

◆ G4Analysis()

G4PhysChemIO::G4Analysis::G4Analysis ( G4VAnalysisManager * analysisManager )

Definition at line 162 of file G4PhysChemIO.cc.

                                                         :
fpAnalysisManager(analysisManager)
{
  fFileInitialized = false;
  fNtupleID = -1;
}

◆ ~G4Analysis()

G4PhysChemIO::G4Analysis::~G4Analysis ( )

override

Definition at line 171 of file G4PhysChemIO.cc.

{
  fpAnalysisManager = nullptr;
}

Member Function Documentation

◆ AddEmptyLineInOutputFile()

void G4PhysChemIO::G4Analysis::AddEmptyLineInOutputFile ( )

inlineoverridevirtual

Reimplemented from G4VPhysChemIO.

Definition at line 145 of file G4PhysChemIO.hh.

145{}

◆ CloseFile()

void G4PhysChemIO::G4Analysis::CloseFile ( )

overridevirtual

Close the file specified with WriteInto

Implements G4VPhysChemIO.

Definition at line 218 of file G4PhysChemIO.cc.

{
//  fpAnalysisManager->Write();
//  fpAnalysisManager->CloseFile();
}

◆ CreateSolvatedElectron()

void G4PhysChemIO::G4Analysis::CreateSolvatedElectron	(	const G4Track *	electronTrack,
		G4ThreeVector *	finalPosition = nullptr )

overridevirtual

Same idea as the previous method but for solvated electron. This method should be used by the physics model of the ElectronSolvatation process.

Implements G4VPhysChemIO.

Definition at line 264 of file G4PhysChemIO.cc.

{
  if(!fFileInitialized) InitializeFile();
  
  // parent ID
  fpAnalysisManager->FillNtupleIColumn(fNtupleID, 0,
                                       electronTrack->GetTrackID());
  
  // molecule type
  fpAnalysisManager->FillNtupleSColumn(fNtupleID, 1, "e_aq");
  
  //----------------------------------------------------------------------------
  // valid for H2O only
  
  // electronic modif
  fpAnalysisManager->FillNtupleIColumn(fNtupleID, 2, -1); // electronic modif
  fpAnalysisManager->FillNtupleIColumn(fNtupleID, 3, -1); // electronic level
  fpAnalysisManager->FillNtupleDColumn(fNtupleID, 4,
                                       electronTrack->GetKineticEnergy() / eV);
  
  //----------------------------------------------------------------------------
  const G4ThreeVector& parentPos = electronTrack->GetPosition();
  const double i_nm = 1./nanometer;
  
  fpAnalysisManager->FillNtupleDColumn(fNtupleID,5, parentPos.x() *i_nm);
  fpAnalysisManager->FillNtupleDColumn(fNtupleID,6, parentPos.y() *i_nm);
  fpAnalysisManager->FillNtupleDColumn(fNtupleID,7, parentPos.z() *i_nm);
  
  if (finalPosition != nullptr)
  {
    fpAnalysisManager->FillNtupleDColumn(fNtupleID,8, finalPosition->x()*i_nm);
    fpAnalysisManager->FillNtupleDColumn(fNtupleID,9, finalPosition->y()*i_nm);
    fpAnalysisManager->FillNtupleDColumn(fNtupleID,10, finalPosition->z()*i_nm);
  }
  else
  {
    fpAnalysisManager->FillNtupleDColumn(fNtupleID,8, parentPos.x() *i_nm);
    fpAnalysisManager->FillNtupleDColumn(fNtupleID,9, parentPos.y() *i_nm);
    fpAnalysisManager->FillNtupleDColumn(fNtupleID,10, parentPos.z() *i_nm);
  }
  
  fpAnalysisManager->AddNtupleRow(fNtupleID);
}

◆ CreateWaterMolecule()

void G4PhysChemIO::G4Analysis::CreateWaterMolecule	(	G4int	electronicModif,
		G4int	electronicLevel,
		G4double	energy,
		const G4Track *	theIncomingTrack )

overridevirtual

Method used by DNA physics model to create a water molecule. The ElectronicModification is a flag telling wheter 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, for instance an electron.

Implements G4VPhysChemIO.

Definition at line 226 of file G4PhysChemIO.cc.

{
  if(!fFileInitialized) InitializeFile();
  
  // parent ID
  fpAnalysisManager->FillNtupleIColumn(fNtupleID, 0,
                                       theIncomingTrack->GetTrackID());
  
  // molecule type
  fpAnalysisManager->FillNtupleSColumn(fNtupleID, 1, "H2O");
  
  //----------------------------------------------------------------------------
  // valid for H2O only
  
  // electronic modif
  fpAnalysisManager->FillNtupleIColumn(fNtupleID, 2, modification);
  // ionization = 0 / excitation = 1 / diss att = 2
  fpAnalysisManager->FillNtupleIColumn(fNtupleID, 3, electronicLevel);
  fpAnalysisManager->FillNtupleDColumn(fNtupleID, 4, energy / eV);
  
  //----------------------------------------------------------------------------
  const G4ThreeVector& parentPos = theIncomingTrack->GetPosition();
  
  fpAnalysisManager->FillNtupleDColumn(fNtupleID,5,(parentPos.x())/nanometer);
  fpAnalysisManager->FillNtupleDColumn(fNtupleID,6,(parentPos.y())/nanometer);
  fpAnalysisManager->FillNtupleDColumn(fNtupleID,7,(parentPos.z())/nanometer);
  
  fpAnalysisManager->FillNtupleDColumn(fNtupleID,8,(parentPos.x())/nanometer);
  fpAnalysisManager->FillNtupleDColumn(fNtupleID,9,(parentPos.y())/nanometer);
  fpAnalysisManager->FillNtupleDColumn(fNtupleID,10,(parentPos.z())/nanometer);
  fpAnalysisManager->AddNtupleRow(fNtupleID);
}

◆ InitializeFile()

void G4PhysChemIO::G4Analysis::InitializeFile ( )

overridevirtual

Implements G4VPhysChemIO.

Definition at line 178 of file G4PhysChemIO.cc.

{
  if (fFileInitialized) return;
  
  fNtupleID = fpAnalysisManager->CreateNtuple("PhysChem","PhysChem");
  fpAnalysisManager->CreateNtupleIColumn(fNtupleID, "ParentID");
  fpAnalysisManager->CreateNtupleSColumn(fNtupleID, "Molecule");
  
  //----------------------------------------------------------------------------
  // valid for H2O only
  fpAnalysisManager->CreateNtupleIColumn(fNtupleID, "ElectronicModif");
  // ionization = 0 / excitation = 1 / diss att = 2
  fpAnalysisManager->CreateNtupleIColumn(fNtupleID, "level");
  // valid for ion and exc only
  fpAnalysisManager->CreateNtupleDColumn(fNtupleID, "Energy_eV");
  // valid for ion and exc only
  
  //----------------------------------------------------------------------------
  fpAnalysisManager->CreateNtupleDColumn(fNtupleID, "x_parent_nm");
  fpAnalysisManager->CreateNtupleDColumn(fNtupleID, "y_parent_nm");
  fpAnalysisManager->CreateNtupleDColumn(fNtupleID, "z_parent_nm");
  fpAnalysisManager->CreateNtupleDColumn(fNtupleID, "x_nm");
  fpAnalysisManager->CreateNtupleDColumn(fNtupleID, "y_nm");
  fpAnalysisManager->CreateNtupleDColumn(fNtupleID, "z_nm");
  fpAnalysisManager->FinishNtuple(fNtupleID);
  
  fFileInitialized = true;
}

Referenced by CreateSolvatedElectron(), and CreateWaterMolecule().

◆ InitializeMaster()

void G4PhysChemIO::G4Analysis::InitializeMaster ( )

inlineoverridevirtual

Reimplemented from G4VPhysChemIO.

Definition at line 107 of file G4PhysChemIO.hh.

107{}

◆ InitializeThread()

void G4PhysChemIO::G4Analysis::InitializeThread ( )

inlineoverridevirtual

Reimplemented from G4VPhysChemIO.

Definition at line 108 of file G4PhysChemIO.hh.

108{}

◆ NewEvent()

void G4PhysChemIO::G4Analysis::NewEvent ( )

inlineoverridevirtual

Implements G4VPhysChemIO.

Definition at line 112 of file G4PhysChemIO.hh.

112{}

◆ NewRun()

void G4PhysChemIO::G4Analysis::NewRun ( )

inlineoverridevirtual

Implements G4VPhysChemIO.

Definition at line 111 of file G4PhysChemIO.hh.

111{}

◆ WriteInto()

void G4PhysChemIO::G4Analysis::WriteInto	(	const G4String &	,
		std::ios_base::openmode	mode = std::ios_base::out )

overridevirtual

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

Implements G4VPhysChemIO.

Definition at line 209 of file G4PhysChemIO.cc.

{
  fpAnalysisManager->OpenFile(output);
  fFileInitialized = false;
}

Member Data Documentation

◆ fFileInitialized

G4bool G4PhysChemIO::G4Analysis::fFileInitialized

protected

Definition at line 155 of file G4PhysChemIO.hh.

Referenced by CreateSolvatedElectron(), CreateWaterMolecule(), G4Analysis(), InitializeFile(), and WriteInto().

◆ fNtupleID

int G4PhysChemIO::G4Analysis::fNtupleID

protected

Definition at line 154 of file G4PhysChemIO.hh.

Referenced by CreateSolvatedElectron(), CreateWaterMolecule(), G4Analysis(), and InitializeFile().

◆ fpAnalysisManager

G4VAnalysisManager* G4PhysChemIO::G4Analysis::fpAnalysisManager

protected

Definition at line 153 of file G4PhysChemIO.hh.

Referenced by CreateSolvatedElectron(), CreateWaterMolecule(), InitializeFile(), WriteInto(), and ~G4Analysis().

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

Public Member Functions

Protected Attributes

Detailed Description

Constructor & Destructor Documentation

◆ G4Analysis()

◆ ~G4Analysis()

Member Function Documentation

◆ AddEmptyLineInOutputFile()

◆ CloseFile()

◆ CreateSolvatedElectron()

◆ CreateWaterMolecule()

◆ InitializeFile()

◆ InitializeMaster()

◆ InitializeThread()

◆ NewEvent()

◆ NewRun()

◆ WriteInto()

Member Data Documentation

◆ fFileInitialized

◆ fNtupleID

◆ fpAnalysisManager