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This commit is contained in:
Gabriele Cosmo
2016-06-10 14:11:04 +02:00
parent c9b32a6c0a
commit d4af681f38
4886 changed files with 420149 additions and 1023309 deletions
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source/processes/electromagnetic/dna/models/src/G4DNASmoluchowskiReactionModel.cc
+36 -19
View File
@@ -23,13 +23,15 @@
// * acceptance of all terms of the Geant4 Software license. *
// ********************************************************************
//
// $Id: G4DNASmoluchowskiReactionModel.cc 85244 2014-10-27 08:24:13Z gcosmo $
// $Id: G4DNASmoluchowskiReactionModel.cc 94218 2015-11-09 08:24:48Z gcosmo $
//
#include "G4DNASmoluchowskiReactionModel.hh"
#include "Randomize.hh"
#include "G4Track.hh"
#include "G4DNAMolecularReactionTable.hh"
#include "G4UnitsTable.hh"
#include "G4Molecule.hh"
//#include "G4Scheduler.hh"
G4DNASmoluchowskiReactionModel::G4DNASmoluchowskiReactionModel() :
G4VDNAReactionModel()
@@ -55,28 +57,31 @@ G4DNASmoluchowskiReactionModel::~G4DNASmoluchowskiReactionModel()
fReactionData = 0;
}
void G4DNASmoluchowskiReactionModel::Initialise(const G4Molecule* __molecule,
void G4DNASmoluchowskiReactionModel::Initialise(G4MolecularConfiguration* __molecule,
const G4Track&)
{
fReactionData = fReactionTable->GetReactionData(__molecule);
}
void G4DNASmoluchowskiReactionModel::InitialiseToPrint(const G4Molecule* __molecule)
void
G4DNASmoluchowskiReactionModel::
InitialiseToPrint(G4MolecularConfiguration* __molecule)
{
fReactionData = fReactionTable->GetReactionData(__molecule);
}
G4double G4DNASmoluchowskiReactionModel::GetReactionRadius(const G4Molecule* mol1,
const G4Molecule* mol2)
G4double
G4DNASmoluchowskiReactionModel::GetReactionRadius(G4MolecularConfiguration* __mol1,
G4MolecularConfiguration* __mol2)
{
G4double __output = fReactionTable->GetReactionData(mol1, mol2)
->GetReducedReactionRadius();
G4double __output = fReactionTable->GetReactionData(__mol1, __mol2)
->GetEffectiveReactionRadius();
return __output;
}
G4double G4DNASmoluchowskiReactionModel::GetReactionRadius(const G4int __i)
{
G4double __output = (*fReactionData)[__i]->GetReducedReactionRadius();
G4double __output = (*fReactionData)[__i]->GetEffectiveReactionRadius();
return __output;
}
@@ -86,28 +91,28 @@ G4bool G4DNASmoluchowskiReactionModel::FindReaction(const G4Track& __trackA,
G4double& __r,
const G4bool __alongStepReaction)
{
G4double __postStepSeparation = 0;
bool __do_break = false;
G4double __R2 = __R * __R;
G4double postStepSeparation = 0;
bool do_break = false;
G4double R2 = __R * __R;
int k = 0;
for (; k < 3; k++)
{
__postStepSeparation += std::pow(
postStepSeparation += std::pow(
__trackA.GetPosition()[k] - __trackB.GetPosition()[k], 2);
if (__postStepSeparation > __R2)
if (postStepSeparation > R2)
{
__do_break = true;
do_break = true;
break;
}
}
if (__do_break == false)
if (do_break == false)
{
// The loop was not break
// => __r^2 < __R^2
__r = std::sqrt(__postStepSeparation);
__r = std::sqrt(postStepSeparation);
return true;
}
else if (__alongStepReaction == true)
@@ -119,11 +124,11 @@ G4bool G4DNASmoluchowskiReactionModel::FindReaction(const G4Track& __trackA,
// Continue loop
for (; k < 3; k++)
{
__postStepSeparation += std::pow(
postStepSeparation += std::pow(
__trackA.GetPosition()[k] - __trackB.GetPosition()[k], 2);
}
// Use Green approach : the Brownian bridge
__r = (__postStepSeparation = std::sqrt(__postStepSeparation));
__r = (postStepSeparation = std::sqrt(postStepSeparation));
G4Molecule* __moleculeA = GetMolecule(__trackA);
G4Molecule* __moleculeB = GetMolecule(__trackB);
@@ -155,12 +160,24 @@ G4bool G4DNASmoluchowskiReactionModel::FindReaction(const G4Track& __trackA,
G4double __preStepSeparation =
(__preStepPositionA - __preStepPositionB).mag();
//===================================
// Brownian bridge
// if(G4Scheduler::Instance()->GetTimeStep() != __trackB.GetStep()->GetDeltaTime())
// {
// G4cout << G4Scheduler::Instance()->GetTimeStep() << G4endl;
// G4cout << __trackB.GetStep()->GetDeltaTime() << G4endl;
// assert(G4Scheduler::Instance()->GetTimeStep() == __trackB.GetStep()->GetDeltaTime());
// }
G4double __probabiltyOfEncounter = std::exp(
-(__preStepSeparation - __R) * (__postStepSeparation - __R) / (__D
-(__preStepSeparation - __R) * (postStepSeparation - __R) / (__D
* (__trackB.GetStep()->GetDeltaTime())));
G4double __selectedPOE = G4UniformRand();
if (__selectedPOE <= __probabiltyOfEncounter) return true;
//===================================
}
return false;