G4DNASmoluchowskiReactionModel.cc

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// $Id: G4DNASmoluchowskiReactionModel.cc 65695 2012-11-27 11:39:12Z gunter $
//
#include "G4DNASmoluchowskiReactionModel.hh"
#include "Randomize.hh"
#include "G4Track.hh"
#include "G4DNAMolecularReactionTable.hh"

G4DNASmoluchowskiReactionModel::G4DNASmoluchowskiReactionModel() : G4VDNAReactionModel()
{
    fReactionData = 0 ;
}

G4DNASmoluchowskiReactionModel::G4DNASmoluchowskiReactionModel(const G4DNASmoluchowskiReactionModel& __right) :
    G4VDNAReactionModel(__right)
{
    fReactionData = 0 ;
}

G4DNASmoluchowskiReactionModel& G4DNASmoluchowskiReactionModel::operator=(const G4DNASmoluchowskiReactionModel& right)
{
    if(this == &right) return *this;
    fReactionData = 0;
    return *this;
}

G4DNASmoluchowskiReactionModel::~G4DNASmoluchowskiReactionModel()
{
    fReactionData = 0 ;
}

void G4DNASmoluchowskiReactionModel::Initialise(const G4Molecule* __molecule, const G4Track&)
{
    fReactionData = fReactionTable->GetReactionData(__molecule);
}

void G4DNASmoluchowskiReactionModel::InitialiseToPrint(const G4Molecule* __molecule)
{
    fReactionData = fReactionTable->GetReactionData(__molecule);
}

G4double G4DNASmoluchowskiReactionModel::GetReactionRadius(const G4Molecule* mol1,
                                                               const G4Molecule* mol2)
{
    G4double __output = fReactionTable -> GetReactionData(mol1,mol2)->GetReducedReactionRadius();
    return  __output ;
}

G4double G4DNASmoluchowskiReactionModel::GetReactionRadius(const G4int __i)
{
    G4double __output = (*fReactionData)[__i] -> GetReducedReactionRadius();
    return  __output ;
}

G4bool G4DNASmoluchowskiReactionModel::FindReaction(const G4Track& __trackA,
        const G4Track& __trackB,
        const G4double __R,
        G4double& __r,
        const G4bool __alongStepReaction)
{
    G4double __postStepSeparation = 0;
    bool __do_break = false ;
    G4double __R2 = __R*__R ;
    int k = 0 ;

    for(; k < 3 ; k++)
    {
        __postStepSeparation += std::pow(__trackA.GetPosition()[k] - __trackB.GetPosition()[k],2);

        if(__postStepSeparation > __R2)
        {
            __do_break = true  ;
            break ;
        }
    }

    if(__do_break == false)
    {
         // The loop was not break
         // => __r^2 < __R^2
        __r = std::sqrt(__postStepSeparation);
        return true;
    }
    else if(__alongStepReaction == true)
    {
        //G4cout << "alongStepReaction==true" << G4endl;
        //Along step cheack and
        // the loop has break

        // Continue loop
        for(; k < 3 ; k++)
        {
            __postStepSeparation += std::pow(__trackA.GetPosition()[k] - __trackB.GetPosition()[k],2);
        }
        // Use Green approach : the Brownian bridge
        __r = (__postStepSeparation = std::sqrt(__postStepSeparation) );

        G4Molecule* __moleculeA = GetMolecule(__trackA);
        G4Molecule* __moleculeB = GetMolecule(__trackB);

        G4double __D = __moleculeA->GetDiffusionCoefficient() + __moleculeB->GetDiffusionCoefficient();

        G4ThreeVector __preStepPositionA = __trackA.GetStep()->GetPreStepPoint() ->GetPosition();
        G4ThreeVector __preStepPositionB = __trackB.GetStep()->GetPreStepPoint() ->GetPosition();

        if(__preStepPositionA == __trackA.GetPosition())
        {
            G4ExceptionDescription exceptionDescription ;
            exceptionDescription << "The molecule : " <<  __moleculeA->GetName();
            exceptionDescription << " did not move since the previous step ";
            G4Exception("G4DNASmoluchowskiReactionModel::FindReaction","G4DNASmoluchowskiReactionModel",
                        FatalErrorInArgument,exceptionDescription);
        }

        G4double __preStepSeparation = (__preStepPositionA - __preStepPositionB).mag();

        G4double __probabiltyOfEncounter =  std::exp(-(__preStepSeparation - __R)*(__postStepSeparation - __R)
                                        / (__D* (__trackB.GetStep()->GetDeltaTime())));
        G4double __selectedPOE = G4UniformRand();

        if(__selectedPOE<=__probabiltyOfEncounter)  return true;
    }

    return false ;
}