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This commit is contained in:
Gabriele Cosmo
2016-06-10 12:08:39 +02:00
parent 286caacf06
commit c9b32a6c0a
5770 changed files with 1050949 additions and 367105 deletions
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source/processes/electromagnetic/dna/models/src/G4DNASmoluchowskiReactionModel.cc
+93 -79
View File
@@ -23,7 +23,7 @@
// * acceptance of all terms of the Geant4 Software license. *
// ********************************************************************
//
// $Id: G4DNASmoluchowskiReactionModel.cc 70171 2013-05-24 13:34:18Z gcosmo $
// $Id: G4DNASmoluchowskiReactionModel.cc 85244 2014-10-27 08:24:13Z gcosmo $
//
#include "G4DNASmoluchowskiReactionModel.hh"
#include "Randomize.hh"
@@ -31,123 +31,137 @@
#include "G4DNAMolecularReactionTable.hh"
#include "G4UnitsTable.hh"
G4DNASmoluchowskiReactionModel::G4DNASmoluchowskiReactionModel() : G4VDNAReactionModel()
G4DNASmoluchowskiReactionModel::G4DNASmoluchowskiReactionModel() :
G4VDNAReactionModel()
{
fReactionData = 0 ;
fReactionData = 0;
}
G4DNASmoluchowskiReactionModel::G4DNASmoluchowskiReactionModel(const G4DNASmoluchowskiReactionModel& __right) :
G4VDNAReactionModel(__right)
{
fReactionData = 0 ;
fReactionData = 0;
}
G4DNASmoluchowskiReactionModel& G4DNASmoluchowskiReactionModel::operator=(const G4DNASmoluchowskiReactionModel& right)
{
if(this == &right) return *this;
fReactionData = 0;
return *this;
if (this == &right) return *this;
fReactionData = 0;
return *this;
}
G4DNASmoluchowskiReactionModel::~G4DNASmoluchowskiReactionModel()
{
fReactionData = 0 ;
fReactionData = 0;
}
void G4DNASmoluchowskiReactionModel::Initialise(const G4Molecule* __molecule, const G4Track&)
void G4DNASmoluchowskiReactionModel::Initialise(const G4Molecule* __molecule,
const G4Track&)
{
fReactionData = fReactionTable->GetReactionData(__molecule);
fReactionData = fReactionTable->GetReactionData(__molecule);
}
void G4DNASmoluchowskiReactionModel::InitialiseToPrint(const G4Molecule* __molecule)
{
fReactionData = fReactionTable->GetReactionData(__molecule);
fReactionData = fReactionTable->GetReactionData(__molecule);
}
G4double G4DNASmoluchowskiReactionModel::GetReactionRadius(const G4Molecule* mol1,
const G4Molecule* mol2)
const G4Molecule* mol2)
{
G4double __output = fReactionTable -> GetReactionData(mol1,mol2)->GetReducedReactionRadius();
return __output ;
G4double __output = fReactionTable->GetReactionData(mol1, mol2)
->GetReducedReactionRadius();
return __output;
}
G4double G4DNASmoluchowskiReactionModel::GetReactionRadius(const G4int __i)
{
G4double __output = (*fReactionData)[__i] -> GetReducedReactionRadius();
return __output ;
G4double __output = (*fReactionData)[__i]->GetReducedReactionRadius();
return __output;
}
G4bool G4DNASmoluchowskiReactionModel::FindReaction(const G4Track& __trackA,
const G4Track& __trackB,
const G4double __R,
G4double& __r,
const G4bool __alongStepReaction)
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 ;
G4double __postStepSeparation = 0;
bool __do_break = false;
G4double __R2 = __R * __R;
int k = 0;
for(; k < 3 ; k++)
for (; k < 3; k++)
{
__postStepSeparation += std::pow(
__trackA.GetPosition()[k] - __trackB.GetPosition()[k], 2);
if (__postStepSeparation > __R2)
{
__postStepSeparation += std::pow(__trackA.GetPosition()[k] - __trackB.GetPosition()[k],2);
__do_break = true;
break;
}
}
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 << " with track ID :" << __trackA.GetTrackID();
exceptionDescription << " did not move since the previous step." << G4endl;
exceptionDescription << "Current position : "
<< G4BestUnit(__trackA.GetPosition(), "Length")
<< G4endl;
exceptionDescription << "Previous position : "
<< G4BestUnit(__preStepPositionA, "Length") << G4endl;
G4Exception("G4DNASmoluchowskiReactionModel::FindReaction",
"G4DNASmoluchowskiReactionModel", FatalErrorInArgument,
exceptionDescription);
}
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
G4double __preStepSeparation =
(__preStepPositionA - __preStepPositionB).mag();
// 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) );
G4double __probabiltyOfEncounter = std::exp(
-(__preStepSeparation - __R) * (__postStepSeparation - __R) / (__D
* (__trackB.GetStep()->GetDeltaTime())));
G4double __selectedPOE = G4UniformRand();
G4Molecule* __moleculeA = GetMolecule(__trackA);
G4Molecule* __moleculeB = GetMolecule(__trackB);
if (__selectedPOE <= __probabiltyOfEncounter) return true;
}
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 << " with track ID :" << __trackA.GetTrackID();
exceptionDescription << " did not move since the previous step." << G4endl;
exceptionDescription << "Current position : " << G4BestUnit(__trackA.GetPosition(),"Length") << G4endl;
exceptionDescription << "Previous position : " << G4BestUnit(__preStepPositionA,"Length") << G4endl;
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 ;
return false;
}