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geant4/source/processes/electromagnetic/dna/models/src/G4DNACPA100ElasticModel.cc
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Gabriele Cosmo c07cea1fe0 Import Geant4 11.1.0.beta source tree
2022-07-01 10:44:02 +02:00

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//
// ********************************************************************
// * License and Disclaimer *
// * *
// * The Geant4 software is copyright of the Copyright Holders of *
// * the Geant4 Collaboration. It is provided under the terms and *
// * conditions of the Geant4 Software License, included in the file *
// * LICENSE and available at http://cern.ch/geant4/license . These *
// * include a list of copyright holders. *
// * *
// * Neither the authors of this software system, nor their employing *
// * institutes,nor the agencies providing financial support for this *
// * work make any representation or warranty, express or implied, *
// * regarding this software system or assume any liability for its *
// * use. Please see the license in the file LICENSE and URL above *
// * for the full disclaimer and the limitation of liability. *
// * *
// * This code implementation is the result of the scientific and *
// * technical work of the GEANT4 collaboration. *
// * By using, copying, modifying or distributing the software (or *
// * any work based on the software) you agree to acknowledge its *
// * use in resulting scientific publications, and indicate your *
// * acceptance of all terms of the Geant4 Software license. *
// ********************************************************************
//
// CPA100 elastic model class for electrons
//
// Based on the work of M. Terrissol and M. C. Bordage
//
// Users are requested to cite the following papers:
// - M. Terrissol, A. Baudre, Radiat. Prot. Dosim. 31 (1990) 175-177
// - M.C. Bordage, J. Bordes, S. Edel, M. Terrissol, X. Franceries,
// M. Bardies, N. Lampe, S. Incerti, Phys. Med. 32 (2016) 1833-1840
//
// Authors of this class:
// M.C. Bordage, M. Terrissol, S. Edel, J. Bordes, S. Incerti
//
// 15.01.2014: creation
//
#include "G4DNACPA100ElasticModel.hh"
#include "G4PhysicalConstants.hh"
#include "G4SystemOfUnits.hh"
#include "G4DNAMolecularMaterial.hh"
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
using namespace std;
// #define CPA100_VERBOSE
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4DNACPA100ElasticModel::G4DNACPA100ElasticModel(const G4ParticleDefinition*,
const G4String& nam)
:G4VEmModel(nam),isInitialised(false)
{
SetLowEnergyLimit(11*eV);
SetHighEnergyLimit(255955*eV);
verboseLevel= 0;
// Verbosity scale:
// 0 = nothing
// 1 = warning for energy non-conservation
// 2 = details of energy budget
// 3 = calculation of cross sections, file openings, sampling of atoms
// 4 = entering in methods
#ifdef UEHARA_VERBOSE
if( verboseLevel>0 )
{
G4cout << "CPA100 Elastic model is constructed " << G4endl
<< "Energy range: "
<< LowEnergyLimit()/eV << " eV - "
<< HighEnergyLimit()/ keV << " keV"
<< G4endl;
}
#endif
fParticleChangeForGamma = 0;
fpMolWaterDensity = 0;
// Selection of stationary mode
statCode = false;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4DNACPA100ElasticModel::~G4DNACPA100ElasticModel()
{
// For total cross section
std::map< G4String,G4DNACrossSectionDataSet*,std::less<G4String> >::iterator pos;
for (pos = tableData.begin(); pos != tableData.end(); ++pos)
{
G4DNACrossSectionDataSet* table = pos->second;
delete table;
}
// For final state
eVecm.clear();
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
void G4DNACPA100ElasticModel::Initialise(const G4ParticleDefinition*
particle,
const G4DataVector& /*cuts*/)
{
#ifdef UEHARA_VERBOSE
if (verboseLevel > 3)
G4cout << "Calling G4DNACPA100ElasticModel::Initialise()" << G4endl;
#endif
if(particle->GetParticleName() != "e-")
{
G4Exception("*** WARNING: the G4DNACPA100ElasticModel is "
"not intented to be used with another particle than the electron",
"",FatalException,"") ;
}
// Energy limits
if (LowEnergyLimit() < 11.*eV)
{
G4cout << "G4DNACPA100ElasticModel: low energy limit increased from " <<
LowEnergyLimit()/eV << " eV to " << 11 << " eV" << G4endl;
SetLowEnergyLimit(11.*eV);
}
if (HighEnergyLimit() > 255955.*eV)
{
G4cout << "G4DNACPA100ElasticModel: high energy limit decreased from " <<
HighEnergyLimit()/keV << " keV to " << 255.955 << " keV"
<< G4endl;
SetHighEnergyLimit(255955.*eV);
}
// Reading of data files
G4double scaleFactor = 1e-20*m*m;
G4String fileElectron("dna/sigma_elastic_e_cpa100");
G4ParticleDefinition* electronDef = G4Electron::ElectronDefinition();
G4String electron;
// *** ELECTRON
// For total cross section
electron = electronDef->GetParticleName();
tableFile[electron] = fileElectron;
G4DNACrossSectionDataSet* tableE =
new G4DNACrossSectionDataSet(new G4LogLogInterpolation,
eV,scaleFactor );
/*
G4DNACrossSectionDataSet* tableE =
new G4DNACrossSectionDataSet(new G4DNACPA100LogLogInterpolation,
eV,scaleFactor );
*/
tableE->LoadData(fileElectron);
tableData[electron] = tableE;
// For final state
const char *path = G4FindDataDir("G4LEDATA");
if (!path)
{
G4Exception("G4DNACPA100ElasticModel::Initialise","em0006",
FatalException,"G4LEDATA environment variable not set.");
return;
}
std::ostringstream eFullFileName;
eFullFileName << path
<< "/dna/sigmadiff_cumulated_elastic_e_cpa100.dat";
std::ifstream eDiffCrossSection(eFullFileName.str().c_str());
if (!eDiffCrossSection)
G4Exception("G4DNACPA100ElasticModel::Initialise","em0003",
FatalException,
"Missing data file:/dna/sigmadiff_cumulated_elastic_e_cpa100.dat");
// March 25th, 2014 - Vaclav Stepan, Sebastien Incerti
// Added clear for MT
eTdummyVec.clear();
eVecm.clear();
eDiffCrossSectionData.clear();
//
eTdummyVec.push_back(0.);
while(!eDiffCrossSection.eof())
{
G4double tDummy;
G4double eDummy;
eDiffCrossSection>>tDummy>>eDummy;
// SI : mandatory eVecm initialization
if (tDummy != eTdummyVec.back())
{
eTdummyVec.push_back(tDummy);
eVecm[tDummy].push_back(0.);
}
eDiffCrossSection>>eDiffCrossSectionData[tDummy][eDummy];
if (eDummy != eVecm[tDummy].back()) eVecm[tDummy].push_back(eDummy);
}
// End final state
#ifdef UEHARA_VERBOSE
if (verboseLevel > 2)
G4cout << "Loaded cross section files for CPA100 Elastic model" << G4endl;
#endif
#ifdef UEHARA_VERBOSE
if( verboseLevel>0 )
{
G4cout << "CPA100 Elastic model is initialized " << G4endl
<< "Energy range: "
<< LowEnergyLimit() / eV << " eV - "
<< HighEnergyLimit() / keV << " keV"
<< G4endl;
}
#endif
// Initialize water density pointer
fpMolWaterDensity = G4DNAMolecularMaterial::Instance()
->GetNumMolPerVolTableFor(G4Material::GetMaterial("G4_WATER"));
if (isInitialised) { return; }
fParticleChangeForGamma = GetParticleChangeForGamma();
isInitialised = true;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4double G4DNACPA100ElasticModel::CrossSectionPerVolume
(const G4Material* material,
const G4ParticleDefinition* p,
G4double ekin,
G4double,
G4double)
{
#ifdef UEHARA_VERBOSE
if (verboseLevel > 3)
G4cout <<
"Calling CrossSectionPerVolume() of G4DNACPA100ElasticModel" << G4endl;
#endif
// Calculate total cross section for model
G4double sigma=0;
G4double waterDensity = (*fpMolWaterDensity)[material->GetIndex()];
const G4String& particleName = p->GetParticleName();
if (ekin <= HighEnergyLimit() && ekin >= LowEnergyLimit())
{
//SI : XS must not be zero otherwise sampling of secondaries
// method ignored
std::map< G4String,G4DNACrossSectionDataSet*,std::less<G4String> >::iterator pos;
pos = tableData.find(particleName);
if (pos != tableData.end())
{
G4DNACrossSectionDataSet* table = pos->second;
if (table != 0)
{
sigma = table->FindValue(ekin);
//
//Dump in non-MT mode
//
/*
G4double minEnergy = 10.481 * eV;
G4double maxEnergy = 255955. * eV;
G4int nEnergySteps = 1000;
G4double energy(minEnergy);
G4double
stpEnergy(std::pow(maxEnergy/energy,
1./static_cast<G4double>(nEnergySteps-1)));
G4int step(nEnergySteps);
system ("rm -rf elastic-cpa100.out");
FILE* myFile=fopen("elastic-cpa100.out","a");
while (step>0)
{
step--;
fprintf (myFile,"%16.9le %16.9le\n",
energy/eV,
table->FindValue(energy)/(1e-20*m*m));
energy*=stpEnergy;
}
fclose (myFile);
abort();
*/
//
// end of dump
//
}
}
else
{
G4Exception("G4DNACPA100ElasticModel::ComputeCrossSectionPerVolume",
"em0002",
FatalException,"Model not applicable to particle type.");
}
}
#ifdef UEHARA_VERBOSE
if (verboseLevel > 2)
{
G4cout << "__________________________________" << G4endl;
G4cout << "G4DNACPA100ElasticModel - XS INFO START" << G4endl;
G4cout << "Kinetic energy(eV)=" << ekin/eV << " particle : " << particleName << G4endl;
G4cout << "Cross section per water molecule (cm^2)=" << sigma/cm/cm << G4endl;
G4cout << "Cross section per water molecule (cm^-1)=" << sigma*waterDensity/(1./cm) << G4endl;
// G4cout << " - Cross section per water molecule (cm^-1)="
// << sigma*material->GetAtomicNumDensityVector()[1]/(1./cm) << G4endl;
G4cout << "G4DNACPA100ElasticModel - XS INFO END" << G4endl;
}
#endif
return sigma*waterDensity;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
void G4DNACPA100ElasticModel::SampleSecondaries(std::vector<G4DynamicParticle*>* /*fvect*/,
const G4MaterialCutsCouple* /*couple*/,
const G4DynamicParticle* aDynamicElectron,
G4double,
G4double)
{
#ifdef UEHARA_VERBOSE
if (verboseLevel > 3)
G4cout << "Calling SampleSecondaries() of G4DNACPA100ElasticModel" << G4endl;
#endif
G4double electronEnergy0 = aDynamicElectron->GetKineticEnergy();
G4double cosTheta = RandomizeCosTheta(electronEnergy0);
G4double phi = 2. * pi * G4UniformRand();
G4ThreeVector zVers = aDynamicElectron->GetMomentumDirection();
//G4ThreeVector xVers = zVers.orthogonal();
//G4ThreeVector yVers = zVers.cross(xVers);
//G4double xDir = std::sqrt(1. - cosTheta*cosTheta);
//G4double yDir = xDir;
//xDir *= std::cos(phi);
//yDir *= std::sin(phi);
// Computation of scattering angles (from Subroutine DIRAN in CPA100)
G4double CT1, ST1, CF1, SF1, CT2, ST2, CF2, SF2;
G4double sinTheta = std::sqrt (1-cosTheta*cosTheta);
CT1=0;
ST1=0;
CF1=0;
SF1=0;
CT2=0;
ST2=0;
CF2=0;
SF2=0;
CT1 = zVers.z();
ST1=std::sqrt(1.-CT1*CT1);
if (ST1!=0) CF1 = zVers.x()/ST1; else CF1 = std::cos(2. * pi * G4UniformRand());
if (ST1!=0) SF1 = zVers.y()/ST1; else SF1 = std::sqrt(1.-CF1*CF1);
G4double A3, A4, A5, A2, A1;
A3=0;
A4=0;
A5=0;
A2=0;
A1=0;
A3 = sinTheta*std::cos(phi);
A4 = A3*CT1 + ST1*cosTheta;
A5 = sinTheta * std::sin(phi);
A2 = A4 * SF1 + A5 * CF1;
A1 = A4 * CF1 - A5 * SF1;
CT2 = CT1*cosTheta - ST1*A3;
ST2 = std::sqrt(1.-CT2*CT2);
if (ST2==0) ST2=1E-6;
CF2 = A1/ST2;
SF2 = A2/ST2;
/*
G4cout << "CT1=" << CT1 << G4endl;
G4cout << "ST1=" << ST1 << G4endl;
G4cout << "CF1=" << CF1 << G4endl;
G4cout << "SF1=" << SF1 << G4endl;
G4cout << "cosTheta=" << cosTheta << G4endl;
G4cout << "sinTheta=" << sinTheta << G4endl;
G4cout << "cosPhi=" << std::cos(phi) << G4endl;
G4cout << "sinPhi=" << std::sin(phi) << G4endl;
G4cout << "CT2=" << CT2 << G4endl;
G4cout << "ST2=" << ST2 << G4endl;
G4cout << "CF2=" << CF2 << G4endl;
G4cout << "SF2=" << SF2 << G4endl;
*/
G4ThreeVector zPrimeVers(ST2*CF2,ST2*SF2,CT2);
//
fParticleChangeForGamma->ProposeMomentumDirection(zPrimeVers.unit()) ;
if (!statCode)
fParticleChangeForGamma->SetProposedKineticEnergy
(electronEnergy0-1.214E-4*(1.-cosTheta)*electronEnergy0);
else fParticleChangeForGamma->SetProposedKineticEnergy(electronEnergy0);
//
fParticleChangeForGamma->ProposeLocalEnergyDeposit(1.214E-4*(1.-cosTheta)*electronEnergy0);
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4double G4DNACPA100ElasticModel::Theta
(G4ParticleDefinition *, G4double k, G4double integrDiff)
{
G4double theta = 0.;
G4double valueT1 = 0;
G4double valueT2 = 0;
G4double valueE21 = 0;
G4double valueE22 = 0;
G4double valueE12 = 0;
G4double valueE11 = 0;
G4double xs11 = 0;
G4double xs12 = 0;
G4double xs21 = 0;
G4double xs22 = 0;
// Protection against out of boundary access
if (k==eTdummyVec.back()) k=k*(1.-1e-12);
//
std::vector<G4double>::iterator t2 = std::upper_bound(eTdummyVec.begin(),eTdummyVec.end(), k);
std::vector<G4double>::iterator t1 = t2-1;
std::vector<G4double>::iterator e12 = std::upper_bound(eVecm[(*t1)].begin(),eVecm[(*t1)].end(),
integrDiff);
std::vector<G4double>::iterator e11 = e12-1;
std::vector<G4double>::iterator e22 = std::upper_bound(eVecm[(*t2)].begin(),eVecm[(*t2)].end(),
integrDiff);
std::vector<G4double>::iterator e21 = e22-1;
valueT1 =*t1;
valueT2 =*t2;
valueE21 =*e21;
valueE22 =*e22;
valueE12 =*e12;
valueE11 =*e11;
xs11 = eDiffCrossSectionData[valueT1][valueE11];
xs12 = eDiffCrossSectionData[valueT1][valueE12];
xs21 = eDiffCrossSectionData[valueT2][valueE21];
xs22 = eDiffCrossSectionData[valueT2][valueE22];
//TEST CPA100
//if(k==valueT1) xs22 = eDiffCrossSectionData[valueT1][valueE12];
if (xs11==0 && xs12==0 && xs21==0 && xs22==0) return (0.);
theta = QuadInterpolator(
valueE11, valueE12,
valueE21, valueE22,
xs11, xs12,
xs21, xs22,
valueT1, valueT2,
k, integrDiff);
return theta;
//TEST CPA100
//return xs22;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4double G4DNACPA100ElasticModel::LinLogInterpolate(G4double e1,
G4double e2,
G4double e,
G4double xs1,
G4double xs2)
{
G4double d1 = std::log(xs1);
G4double d2 = std::log(xs2);
G4double value = std::exp(d1 + (d2 - d1)*(e - e1)/ (e2 - e1));
return value;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4double G4DNACPA100ElasticModel::LinLinInterpolate(G4double e1,
G4double e2,
G4double e,
G4double xs1,
G4double xs2)
{
G4double d1 = xs1;
G4double d2 = xs2;
G4double value = (d1 + (d2 - d1)*(e - e1)/ (e2 - e1));
return value;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4double G4DNACPA100ElasticModel::LogLogInterpolate(G4double e1,
G4double e2,
G4double e,
G4double xs1,
G4double xs2)
{
G4double a = (std::log10(xs2)-std::log10(xs1)) / (std::log10(e2)-std::log10(e1));
G4double b = std::log10(xs2) - a*std::log10(e2);
G4double sigma = a*std::log10(e) + b;
G4double value = (std::pow(10.,sigma));
return value;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4double G4DNACPA100ElasticModel::QuadInterpolator(G4double e11, G4double e12,
G4double e21, G4double e22,
G4double xs11, G4double xs12,
G4double xs21, G4double xs22,
G4double t1, G4double t2,
G4double t, G4double e)
{
// Log-Log
/*
G4double interpolatedvalue1 = LogLogInterpolate(e11, e12, e, xs11, xs12);
G4double interpolatedvalue2 = LogLogInterpolate(e21, e22, e, xs21, xs22);
G4double value = LogLogInterpolate(t1, t2, t, interpolatedvalue1, interpolatedvalue2);
// Lin-Log
G4double interpolatedvalue1 = LinLogInterpolate(e11, e12, e, xs11, xs12);
G4double interpolatedvalue2 = LinLogInterpolate(e21, e22, e, xs21, xs22);
G4double value = LinLogInterpolate(t1, t2, t, interpolatedvalue1, interpolatedvalue2);
*/
// Lin-Lin
G4double interpolatedvalue1 = LinLinInterpolate(e11, e12, e, xs11, xs12);
G4double interpolatedvalue2 = LinLinInterpolate(e21, e22, e, xs21, xs22);
G4double value = LinLinInterpolate(t1, t2, t, interpolatedvalue1, interpolatedvalue2);
return value;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4double G4DNACPA100ElasticModel::RandomizeCosTheta(G4double k)
{
G4double integrdiff=0; // PROBABILITY between 0 and 1.
G4double uniformRand=G4UniformRand();
integrdiff = uniformRand;
G4double cosTheta=0.;
// 1 - COS THETA is read from the data file
cosTheta = 1 - Theta(G4Electron::ElectronDefinition(),k/eV,integrdiff);
//
//
//Dump
//
//G4cout << "theta=" << theta << G4endl;
//G4cout << "cos theta=" << std::cos(theta*pi/180) << G4endl;
//G4cout << "sin theta=" << std::sin(theta*pi/180) << G4endl;
//G4cout << "acos(cos theta)=" << std::acos(cosTheta) << G4endl;
//G4cout << "cos theta="<< cosTheta << G4endl;
//G4cout << "1 - cos theta="<< 1. - cosTheta << G4endl;
//G4cout << "sin theta=" << std::sqrt(1-cosTheta*cosTheta) << G4endl;
//
/*
G4double minProb = 0; // we scan probability between 0 and one
G4double maxProb = 1;
G4int nProbSteps = 100;
G4double prob(minProb);
G4double stepProb((maxProb-minProb)/static_cast<G4double>(nProbSteps));
G4int step(nProbSteps);
system ("rm -rf elastic-cumul-cpa100-100keV.out");
FILE* myFile=fopen("elastic-cumul-cpa100-100keV.out","a");
while (step>=0)
{
step--;
fprintf (myFile,"%16.9le %16.9le\n",
prob,
Theta(G4Electron::ElectronDefinition(),100000,prob)); // SELECT NRJ IN eV !!!
prob=prob+stepProb;
}
fclose (myFile);
abort();
*/
//
// end of dump
//
return cosTheta;
}
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