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This commit is contained in:
Gabriele Cosmo
2023-12-08 10:43:34 +01:00
parent dd1f179cda
commit 860a2b92bf
3962 changed files with 139318 additions and 164259 deletions
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source/processes/electromagnetic/dna/models/src/G4DiffusionControlledReactionModel.cc
+23 -30
View File
@@ -37,12 +37,9 @@
#include "G4Molecule.hh"
#include "G4ErrorFunction.hh"
G4DiffusionControlledReactionModel::G4DiffusionControlledReactionModel()
: G4VDNAReactionModel()
{}
G4DiffusionControlledReactionModel::G4DiffusionControlledReactionModel() = default;
G4DiffusionControlledReactionModel::~G4DiffusionControlledReactionModel() =
default;
G4DiffusionControlledReactionModel::~G4DiffusionControlledReactionModel() = default;
void G4DiffusionControlledReactionModel::Initialise(
const G4MolecularConfiguration* pMolecule, const G4Track&)
@@ -71,10 +68,8 @@ G4double G4DiffusionControlledReactionModel::GetReactionRadius(
"G4DiffusionControlledReactionModel00", FatalException,
exceptionDescription);
return 0.;
}else
{
return reactionData->GetEffectiveReactionRadius();
}
return reactionData->GetEffectiveReactionRadius();
}
G4double G4DiffusionControlledReactionModel::GetReactionRadius(const G4int& i)
@@ -149,33 +144,31 @@ G4double G4DiffusionControlledReactionModel::GetTimeToEncounter(
{
return irt_1;
}
else
G4double kdif = 4 * CLHEP::pi * D * SmoluchowskiRadius * Avogadro;
if(pMolConfA == pMolConfB)
{
G4double kdif = 4 * CLHEP::pi * D * SmoluchowskiRadius * Avogadro;
if(pMolConfA == pMolConfB)
kdif /= 2;
}
G4double kact = G4IRTUtils::GetKact(kobs, kdif);
G4double sumOfk = kact + kdif;
if(sumOfk != 0)
{
G4double rateFactor = kact / sumOfk;
if(G4UniformRand() > rateFactor)
{
kdif /= 2;
return -1.0 * ps;
}
G4double kact = G4IRTUtils::GetKact(kobs, kdif);
G4double sumOfk = kact + kdif;
if(sumOfk != 0)
{
G4double rateFactor = kact / sumOfk;
if(G4UniformRand() > rateFactor)
{
return -1.0 * ps;
}
G4double Y = std::abs(G4RandGauss::shoot(0.0, std::sqrt(2)));
G4double Y = std::abs(G4RandGauss::shoot(0.0, std::sqrt(2)));
if(Y > 0)
{
X = -(G4Log(G4UniformRand())) / Y;
}
G4double f = X * SmoluchowskiRadius * kdif / sumOfk;
G4double irt_2 = (f * f) / D;
return irt_1 + irt_2;
if(Y > 0)
{
X = -(G4Log(G4UniformRand())) / Y;
}
G4double f = X * SmoluchowskiRadius * kdif / sumOfk;
G4double irt_2 = (f * f) / D;
return irt_1 + irt_2;
}
}
return -1.0 * ps;