G4ReactionTableMessenger Class Reference

#include <G4ReactionTableMessenger.hh>

Inheritance diagram for G4ReactionTableMessenger:

Collaboration diagram for G4ReactionTableMessenger:

Public Member Functions
	G4ReactionTableMessenger (G4DNAMolecularReactionTable *)
virtual	~G4ReactionTableMessenger ()
virtual void	SetNewValue (G4UIcommand *command, G4String newValue)
Public Member Functions inherited from G4UImessenger
	G4UImessenger ()
	G4UImessenger (const G4String &path, const G4String &dsc, G4bool commandsToBeBroadcasted=true)
virtual	~G4UImessenger ()
virtual G4String	GetCurrentValue (G4UIcommand *command)
G4bool	operator== (const G4UImessenger &messenger) const
G4bool	CommandsShouldBeInMaster () const

Protected Attributes
G4DNAMolecularReactionTable *	fpTable
G4UIcmdWithAString *	fpAddReaction
G4UIcmdWithAString *	fpNewDiffContReaction
G4UIcmdWithoutParameter *	fpPrintTable
Protected Attributes inherited from G4UImessenger
G4UIdirectory *	baseDir
G4String	baseDirName
G4bool	commandsShouldBeInMaster

Additional Inherited Members
Protected Member Functions inherited from G4UImessenger
G4String	ItoS (G4int i)
G4String	DtoS (G4double a)
G4String	BtoS (G4bool b)
G4int	StoI (G4String s)
G4double	StoD (G4String s)
G4bool	StoB (G4String s)
void	AddUIcommand (G4UIcommand *newCommand)
void	CreateDirectory (const G4String &path, const G4String &dsc, G4bool commandsToBeBroadcasted=true)
template<typename T >
T *	CreateCommand (const G4String &cname, const G4String &dsc)

Detailed Description

Definition at line 42 of file G4ReactionTableMessenger.hh.

Constructor & Destructor Documentation

G4ReactionTableMessenger()

G4ReactionTableMessenger::G4ReactionTableMessenger

(

G4DNAMolecularReactionTable *

table

)

Definition at line 43 of file G4ReactionTableMessenger.cc.

                                                                                     :
    G4UImessenger()
{
  fpTable = table;

  fpNewDiffContReaction = new G4UIcmdWithAString("/chem/reaction/new", this);
  fpAddReaction = new G4UIcmdWithAString("/chem/reaction/add", this);
//  fpNewPartDiffContReactionByRadius =
//      new G4UIcmdWithAString("/chem/reaction/newPartDiffByRadius", this);
//
//  fpNewPartDiffContReactionByReactionRate =
//      new G4UIcmdWithAString("/chem/reaction/newPartDiffByRate", this);

  fpPrintTable = new G4UIcmdWithoutParameter("/chem/reaction/print", this);
}

~G4ReactionTableMessenger()

G4ReactionTableMessenger::~G4ReactionTableMessenger ( )

virtual

Definition at line 61 of file G4ReactionTableMessenger.cc.

{
  if(fpNewDiffContReaction) delete fpNewDiffContReaction;
  if(fpAddReaction) delete fpAddReaction;
  if(fpPrintTable) delete fpPrintTable;
}

Member Function Documentation

SetNewValue()

void G4ReactionTableMessenger::SetNewValue ( G4UIcommand *  command, G4String  newValue  )

virtual

Reimplemented from G4UImessenger.

Definition at line 70 of file G4ReactionTableMessenger.cc.

{

  if(command == fpNewDiffContReaction)
  {
    std::istringstream iss(newValue);

    G4String species1;
    iss >> species1;

    G4String species2;
    iss >> species2;

    double reactionRate;
    iss >> reactionRate;

//    G4String reactionRateUnit;
//    iss >> reactionRateUnit;

    double dimensionedReactionRate = reactionRate * (1e-3 * m3 / (mole * s));
//        G4UIcmdWithADoubleAndUnit::ConvertToDimensionedDouble((reactionRate
//            + G4String(" ") + reactionRateUnit).c_str());

    G4DNAMolecularReactionData* reactionData =
        new G4DNAMolecularReactionData(dimensionedReactionRate,
                                       species1,
                                       species2);

//    G4String productionRate;
//    iss >> productionRate;
//
//    if(productionRate != "" && productionRate != "X")
//    {
//      double prodRateReal = G4UIcommand::ConvertToDouble(productionRate);
//
//      if(prodRateReal == 0 || isnan(prodRateReal))
//      {
//        G4Exception("G4ReactionTableMessenger",
//                    "WRONG_PRODUCTION_RATE",
//                    FatalException, "");
//      }
//
//      double dimensionedProductionRate = prodRateReal
//          * (1e-3 * m3 / (mole * s));
//      reactionData->SetProductionRate(dimensionedProductionRate);
//    }

    while(iss.eof() == false)
    {
      G4String product;
      iss >> product;

      if(product != "")
      {
        reactionData->AddProduct(product);
      }
      else
      {
        break;
      }
    };

    fpTable->SetReaction(reactionData);
  }
//  else if(command == fpNewPartDiffContReactionByRadius)
//  {
//    std::istringstream iss(newValue);
//
//    G4String species1;
//    iss >> species1;
//
//    G4String species2;
//    iss >> species2;
//
//    double reactionRate;
//    iss >> reactionRate;
//
//
//
//    double reactionRadius;
//    iss >> reactionRadius;
//
//
//    double dimensionedReactionRate = reactionRate * (1e-3 * m3 / (mole * s));
//
//
//    double dimensionedReactionRadius = reactionRadius * nm;
//
//    G4DNAMolecularReactionData* reactionData =
//        new G4DNAMolecularReactionData(dimensionedReactionRate,
//                                       species1,
//                                       species2);
//    reactionData->SetPartiallyDiffusionControlledReaction(dimensionedReactionRate,
//                                                          dimensionedReactionRadius);
//
//    while(iss.eof() == false)
//    {
//      G4String product;
//      iss >> product;
//
//      if(product != "")
//      {
//        reactionData->AddProduct(product);
//      }
//      else
//      {
//        break;
//      }
//    }
//
//    fpTable->SetReaction(reactionData);
//  }
//  else if(command == fpNewPartDiffContReactionByReactionRate)
//  {
//    std::istringstream iss(newValue);
//
//    G4String species1;
//    iss >> species1;
//
//    G4String species2;
//    iss >> species2;
//
//    double reactionRate;
//    iss >> reactionRate;
//
//    //    G4String reactionRateUnit;
//    //    iss >> reactionRateUnit;
//
//    //    G4String reactionRateUnit;
//    //    iss >> reactionRateUnit;
//
//    double activationRate;
//    iss >> activationRate;
//
//    //    G4String reactionRadiusUnit;
//    //    iss >> reactionRadiusUnit;
//
//    double dimensionedReactionRate = reactionRate * (1e-3 * m3 / (mole * s));
//
//    double dimensionedActivationRate = activationRate
//        * (1e-3 * m3 / (mole * s));
//
//    G4DNAMolecularReactionData* reactionData =
//        new G4DNAMolecularReactionData(dimensionedReactionRate,
//                                       species1,
//                                       species2);
//    reactionData->
//      SetPartiallyDiffusionControlledReactionByActivation(dimensionedReactionRate,
//                                                          dimensionedActivationRate);
//
//    while(iss.eof() == false)
//    {
//      G4String product;
//      iss >> product;
//
//      if(product != "")
//      {
//        reactionData->AddProduct(product);
//      }
//      else
//      {
//        break;
//      }
//    }
//
//    fpTable->SetReaction(reactionData);
//  }
  else if(command == fpPrintTable)
  {
    fpTable->PrintTable();
  }
  else if(command == fpAddReaction)
  {
    std::istringstream iss(newValue);

    //--------------------------------------------------------------------------
    // Reactants definition

    G4String species1;
    iss >> species1;

    G4String marker;
    iss >> marker; // peut etre +, ->, |

    G4String species2;

    if(marker == "+")
    {
        iss >> species2;
        iss >> marker; // peut etre ->, |
    }

    //--------------------------------------------------------------------------

    G4DNAMolecularReactionData* reactionData =
                new G4DNAMolecularReactionData(0,
                                               species1,
                                               species2);
    //fpTable->SetReaction(reactionData);

    //--------------------------------------------------------------------------
    // Add products
    if(marker == "->")
    {
      iss >> marker; // doit etre = species name

      while(marker!="|"
          //&& marker!=""
          && iss.eof() == false
          )
      {
        G4cout << marker << G4endl;
        if(marker == "+")
        {
          iss >> marker; // doit etre species name
          continue;
        }
        reactionData->AddProduct(marker);
        iss >> marker; // peut etre species name, +, |
      };
    }

//    G4cout << "out of 1st loop" << G4endl;

    //--------------------------------------------------------------------------
    // Add reaction rate method
    G4String rateconst_method;
    iss >> rateconst_method;
    if(rateconst_method == "Fix")
    {
      iss >> marker; // must be |
      double reactionRate;
      iss >> reactionRate;

      double dimensionedReactionRate = reactionRate * (1e-3 * m3 / (mole * s));
      reactionData->SetObservedReactionRateConstant(dimensionedReactionRate);

//      G4String productionRate;
//      iss >> productionRate;
//
//      if(productionRate != "" && productionRate != "X")
//      {
//        double prodRateReal = G4UIcommand::ConvertToDouble(productionRate);
//
//        if(prodRateReal == 0 || isnan(prodRateReal))
//        {
//          G4Exception("G4ReactionTableMessenger",
//                      "WRONG_PRODUCTION_RATE",
//                      FatalException,
//                      "");
//        }
//
//        double dimensionedProductionRate = prodRateReal
//            * (1e-3 * m3 / (mole * s));
//        reactionData->SetProductionRate(dimensionedProductionRate);
//      }
    }
    else if(rateconst_method == "Arr")
    {
      iss >> marker; // must be |
      double A0  = 0;
      double E_R = 0;

      iss >> A0;
      iss >> E_R;
      reactionData->SetArrehniusParameterization(A0, E_R);
    }
    else if(rateconst_method == "Pol")
    {
      iss >> marker; // must be |
      std::vector<double> P = {0, 0, 0, 0, 0};

      size_t i = 0;
      while(i < 4) // could be changed to 5 only if marker is used as delimiter
      {
        double tmp;
        iss >> tmp;
        P[i] = tmp;
//        G4cout << newValue << G4endl;
//        G4cout << tmp << G4endl;
//        G4cout << P[i] << G4endl;
        ++i;
      };
      reactionData->SetPolynomialParameterization(P);
    }
    else if(rateconst_method == "Scale")
    {
      iss >> marker; // must be |
      double temp_K;
      iss >> temp_K;
      double reactionRateCste;
      iss >> reactionRateCste;
      double dimensionedReactionRate = reactionRateCste * (1e-3 * m3 / (mole * s));
      reactionData->SetObservedReactionRateConstant(dimensionedReactionRate);
      reactionData->SetScaledParameterization(temp_K, dimensionedReactionRate);
    }

//    if(iss.eof() == false)
//    {
//      iss >> marker;
//
//      if(marker == "|")
//      {
//        G4String productionRate ;
//        iss >> productionRate;
//
//
//        double dimProductionRate = G4UIcommand::ConvertToDouble(productionRate)* (1e-3 * m3 / (mole * s));
//
//        G4cout << " DIM PROD RATE = " << reactionData->GetReactant1()->GetName()
//             << " + " << reactionData->GetReactant2()->GetName() << " = " << dimProductionRate << G4endl;
//
//        reactionData->SetProductionRate(dimProductionRate);
//      }
//    }
    fpTable->SetReaction(reactionData);
//    G4cout << "Reaction " << species1 << " + " << species2 << " added" << G4endl;
  }
}

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Member Data Documentation

fpAddReaction

G4UIcmdWithAString* G4ReactionTableMessenger::fpAddReaction

protected

Definition at line 51 of file G4ReactionTableMessenger.hh.

fpNewDiffContReaction

G4UIcmdWithAString* G4ReactionTableMessenger::fpNewDiffContReaction

protected

Definition at line 52 of file G4ReactionTableMessenger.hh.

fpPrintTable

G4UIcmdWithoutParameter* G4ReactionTableMessenger::fpPrintTable

protected

Definition at line 55 of file G4ReactionTableMessenger.hh.

fpTable

G4DNAMolecularReactionTable* G4ReactionTableMessenger::fpTable

protected

Definition at line 50 of file G4ReactionTableMessenger.hh.

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

• G4ReactionTableMessenger.hh
• G4ReactionTableMessenger.cc