Gabriele Cosmo
138 lines
5.4 KiB
C++
138 lines
5.4 KiB
C++
//
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// ********************************************************************
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// * License and Disclaimer *
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// * *
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// * The Geant4 software is copyright of the Copyright Holders of *
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// * the Geant4 Collaboration. It is provided under the terms and *
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// * conditions of the Geant4 Software License, included in the file *
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// * LICENSE and available at http://cern.ch/geant4/license . These *
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// * include a list of copyright holders. *
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// * *
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// * Neither the authors of this software system, nor their employing *
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// * institutes,nor the agencies providing financial support for this *
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// * work make any representation or warranty, express or implied, *
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// * regarding this software system or assume any liability for its *
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// * use. Please see the license in the file LICENSE and URL above *
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// * for the full disclaimer and the limitation of liability. *
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// * *
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// * This code implementation is the result of the scientific and *
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// * technical work of the GEANT4 collaboration. *
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// * By using, copying, modifying or distributing the software (or *
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// * any work based on the software) you agree to acknowledge its *
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// * use in resulting scientific publications, and indicate your *
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// * acceptance of all terms of the Geant4 Software license. *
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// ********************************************************************
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//
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//
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#include "G4DNASmoluchowskiReactionModel.hh"
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#include "Randomize.hh"
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#include "G4Track.hh"
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#include "G4DNAMolecularReactionTable.hh"
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#include "G4UnitsTable.hh"
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#include "G4Molecule.hh"
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#include "G4Exp.hh"
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G4DNASmoluchowskiReactionModel::G4DNASmoluchowskiReactionModel()
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: G4VDNAReactionModel()
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, fpReactionData(nullptr)
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{
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}
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G4DNASmoluchowskiReactionModel::~G4DNASmoluchowskiReactionModel() = default;
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void G4DNASmoluchowskiReactionModel::Initialise(const G4MolecularConfiguration* pMolecule,
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const G4Track&)
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{
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fpReactionData = fpReactionTable->GetReactionData(pMolecule);
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}
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void G4DNASmoluchowskiReactionModel::InitialiseToPrint(const G4MolecularConfiguration* pMolecule)
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{
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fpReactionData = fpReactionTable->GetReactionData(pMolecule);
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}
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G4double G4DNASmoluchowskiReactionModel::GetReactionRadius(const G4MolecularConfiguration* pMol1,
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const G4MolecularConfiguration* pMol2)
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{
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G4double __output = fpReactionTable->GetReactionData(pMol1, pMol2)->GetEffectiveReactionRadius();
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return __output;
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}
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G4double G4DNASmoluchowskiReactionModel::GetReactionRadius(const G4int __i)
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{
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G4double __output = (*fpReactionData)[__i]->GetEffectiveReactionRadius();
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return __output;
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}
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G4bool G4DNASmoluchowskiReactionModel::FindReaction(const G4Track& __trackA,
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const G4Track& __trackB,
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const G4double __reactionRadius,
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G4double& __separationDistance,
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const G4bool __alongStepReaction)
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{
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const G4double R2 = __reactionRadius * __reactionRadius;
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G4double postStepSeparation = 0.;
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bool do_break = false;
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int k = 0;
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for (; k < 3; ++k)
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{
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postStepSeparation += std::pow(
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__trackA.GetPosition()[k] - __trackB.GetPosition()[k], 2);
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if (postStepSeparation > R2)
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{
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do_break = true;
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break;
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}
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}
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if (do_break == false)
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{
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// The loop was not break
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// => r^2 < R^2
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__separationDistance = std::sqrt(postStepSeparation);
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return true;
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}
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else if (__alongStepReaction == true)
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{
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//Along step check and the loop has break
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// Continue loop
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for (; k < 3; ++k)
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{
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postStepSeparation += std::pow(
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__trackA.GetPosition()[k] - __trackB.GetPosition()[k], 2);
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}
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// Use Green approach : the Brownian bridge
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__separationDistance = (postStepSeparation = std::sqrt(postStepSeparation));
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auto pMoleculeA = GetMolecule(__trackA);
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auto pMoleculeB = GetMolecule(__trackB);
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G4double D = pMoleculeA->GetDiffusionCoefficient()
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+ pMoleculeB->GetDiffusionCoefficient();
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const auto& preStepPositionA = __trackA.GetStep()->GetPreStepPoint()->GetPosition();
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const auto& preStepPositionB = __trackB.GetStep()->GetPreStepPoint()->GetPosition();
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G4double preStepSeparation = (preStepPositionA - preStepPositionB).mag();
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//===================================
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// Brownian bridge
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G4double __probabiltyOfEncounter = G4Exp(-(preStepSeparation - __reactionRadius)
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* (postStepSeparation - __reactionRadius)
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/ (D * (__trackB.GetStep()->GetDeltaTime()))
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);
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G4double __selectedPOE = G4UniformRand();
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if (__selectedPOE <= __probabiltyOfEncounter)
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{
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return true;
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}
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//===================================
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}
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return false;
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}
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