G4ChemEquilibrium Class Reference

#include <G4ChemEquilibrium.hh>

Public Types
using	MolType = const G4MolecularConfiguration*
using	Reaction = const G4DNAMolecularReactionData*

Public Member Functions
	G4ChemEquilibrium (const G4int &type, const G4double &time)
	~G4ChemEquilibrium ()=default
void	Initialize ()
G4bool	IsStatusChanged ()
void	Reset ()
void	SetVerbose (const G4int &verbose)
void	SetGlobalTime (const G4double &time)
void	SetEquilibrium (Reaction pReaction)
G4bool	GetEquilibriumStatus () const
void	PrintInfo () const

Detailed Description

Definition at line 38 of file G4ChemEquilibrium.hh.

Member Typedef Documentation

MolType

using G4ChemEquilibrium::MolType = const G4MolecularConfiguration*

Definition at line 41 of file G4ChemEquilibrium.hh.

Reaction

using G4ChemEquilibrium::Reaction = const G4DNAMolecularReactionData*

Definition at line 42 of file G4ChemEquilibrium.hh.

Constructor & Destructor Documentation

G4ChemEquilibrium()

G4ChemEquilibrium::G4ChemEquilibrium ( const G4int & type, const G4double & time )

explicit

Definition at line 33 of file G4ChemEquilibrium.cc.

  : fEquilibriumDuration(time), fRectionType(type)
{}

~G4ChemEquilibrium()

G4ChemEquilibrium::~G4ChemEquilibrium ( )

default

Member Function Documentation

GetEquilibriumStatus()

G4bool G4ChemEquilibrium::GetEquilibriumStatus ( ) const

inline

Definition at line 91 of file G4ChemEquilibrium.hh.

  {
    return fAddEquilibrium;
  }

Initialize()

void G4ChemEquilibrium::Initialize

(

)

Definition at line 37 of file G4ChemEquilibrium.cc.

{
  Reset();
  MolType H2O =
    G4MoleculeTable::Instance()->GetConfiguration("H2O");
  MolType H3OpB =
    G4MoleculeTable::Instance()->GetConfiguration("H3Op(B)");
  MolType OHmB =
    G4MoleculeTable::Instance()->GetConfiguration("OHm(B)");
  const auto& reactionList = G4DNAMolecularReactionTable::Instance()->
GetVectorOfReactionData();
  for(const auto& it : reactionList)
  {
    if(it->GetReactionType()==fRectionType)
    {
      if(it->GetReactant1() != H2O
          && it->GetReactant1() != H3OpB
          && it->GetReactant1() != OHmB)
      {
        fReactant1 = it->GetReactant1();
        fReactantB1 = it->GetReactant2();
      }else
      {
        fReactant1 = it->GetReactant2();
        fReactantB1 = it->GetReactant1();
      }
      for(const auto& itt : *(it->GetProducts()))
      {
        if(itt != H3OpB
            && itt != OHmB)
        {
          fReactant2 = itt;
        }else
        {
          fReactantB2 = itt;
        }
      }
      if(fVerbose > 1) {
        G4cout << "Equilibrium processes(ID) " << fRectionType << " : " << fReactant1->GetName()
               << " <=> " << fReactant2->GetName()
               << " Time to Equilibrium : " << fEquilibriumDuration / CLHEP::us
               << " Initial status : " << fAddEquilibrium << G4endl;
      }
      break ;
    }
  }
}

IsStatusChanged()

G4bool G4ChemEquilibrium::IsStatusChanged ( )

inline

Definition at line 46 of file G4ChemEquilibrium.hh.

  {
    if(fStatus == fAddEquilibrium){
      return false;
    }else
    {
      fStatus = fAddEquilibrium;
      if(fVerbose > 0)
      {
        PrintInfo();
      }
      return true;
    }
  }

PrintInfo()

void G4ChemEquilibrium::PrintInfo

(

)

const

Definition at line 85 of file G4ChemEquilibrium.cc.

{
  G4cout<<"Equilibrium reactions : "<<fReactant1->GetName()
         <<" + "<<fReactantB1->GetName()
         <<" <=> "<<fReactant2->GetName()
         <<" + "<<fReactantB2->GetName()
         <<"  Status : "<<fAddEquilibrium
         <<" from "<<G4BestUnit(fEquilibriumTime,"Time")<<" to "
         <<G4BestUnit(fEquilibriumTime + fEquilibriumDuration,"Time")<<G4endl;
}

Referenced by IsStatusChanged().

Reset()

void G4ChemEquilibrium::Reset ( )

inline

Definition at line 61 of file G4ChemEquilibrium.hh.

  {
    fStatus = false;
    fAddEquilibrium = false;
    fEquilibriumTime = 0;
    fGlobalTime = 0;
  }

Referenced by Initialize().

SetEquilibrium()

void G4ChemEquilibrium::SetEquilibrium

(

Reaction

pReaction

)

Definition at line 97 of file G4ChemEquilibrium.cc.

{
  if(pReaction == nullptr){
    return;
  }
  if(pReaction->GetReactionType() != fRectionType)
  {
    std::vector<MolType> molVector;
    molVector.push_back(pReaction->GetReactant1());
    molVector.push_back(pReaction->GetReactant2());
    const G4int nbProducts = pReaction->GetNbProducts();
    if (nbProducts) {
      for (G4int j = 0; j < nbProducts; ++j) {
        auto product = pReaction->GetProduct(j);
        molVector.push_back(product);
      }
    }
    for(const auto& it : molVector)
    {
      if(it == fReactant1 || it == fReactant2 )
      {
        fAddEquilibrium = true;
        fEquilibriumTime = fGlobalTime;
        if(fVerbose >1)
        {
          G4cout << "Reaction type : " << pReaction->GetReactionType() << " : "
                 << pReaction->GetReactant1()->GetName() << " + "
                 << pReaction->GetReactant2()->GetName() << G4endl;
          G4cout << "SetEquilibrium : on " << fRectionType << "  fEquilibriumTime : "
                 << G4BestUnit(fEquilibriumTime, "Time")<<G4endl;
        }
        break;
      }
    }
  }
}

SetGlobalTime()

void G4ChemEquilibrium::SetGlobalTime ( const G4double & time )

inline

Definition at line 74 of file G4ChemEquilibrium.hh.

  {
    fGlobalTime = time;
 
    if(fGlobalTime - fEquilibriumTime > fEquilibriumDuration && fAddEquilibrium)
    {
      fAddEquilibrium = false;
      if(fVerbose) {
        G4cout << "SetEquilibrium : off " << fRectionType
               << "  fGlobalTime : " << G4BestUnit(fGlobalTime, "Time")
               << "  fEquilibriumTime8 : " << G4BestUnit(fEquilibriumTime, "Time")
               << " fAddEquilibrium : " << fAddEquilibrium << G4endl;
      }
    }
  }

SetVerbose()

void G4ChemEquilibrium::SetVerbose ( const G4int & verbose )

inline

Definition at line 69 of file G4ChemEquilibrium.hh.

  {
    fVerbose = verbose;
  }

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

• G4ChemEquilibrium.hh
• G4ChemEquilibrium.cc