Commit ce9c9936 authored by jannick.wolters's avatar jannick.wolters
Browse files

reworked and validated the computation of scattering xs

parent 6585726d
Pipeline #106254 passed with stages
in 28 minutes and 54 seconds
......@@ -3,7 +3,7 @@ project( RTSN VERSION 0.1.0 LANGUAGES CXX )
set( CMAKE_CXX_STANDARD 17 )
set( CMAKE_CXX_STANDARD_REQUIRED ON )
set( CMAKE_CXX_FLAGS_RELEASE "${CMAKE_CXX_FLAGS_RELEASE} -O3 -march=native -Wno-dev" )
set( CMAKE_CXX_FLAGS_RELEASE "${CMAKE_CXX_FLAGS_RELEASE} -march=native -Wno-dev" )
set( CMAKE_CXX_FLAGS_RELWITHDEBINFO "${CMAKE_CXX_FLAGS_RELWITHDEBINFO} -march=native -pg -no-pie" )
set( CMAKE_CXX_FLAGS_DEBUG "${CMAKE_CXX_FLAGS_DEBUG} -O0 -Wall" )
......
......@@ -9,11 +9,38 @@
#ifndef GLOBAL_CONSTANTS_H
#define GLOBAL_CONSTANTS_H
#include <cmath>
#include <map>
#include <string>
#include <vector>
// --- Definition for global constants goes here ---
static const long double PI = 3.1415926535897932384626433832795028841971693993751058209749445923078164062862089986280348253421170679;
static const long double EULER = 2.7182818284590452353602874713526624977572470936999595749669676277240766303535475945713821785251664274;
static const long double INV_SQRT_2PI = 1.0 / std::sqrt( 2.0 * PI );
static const long double AVOGADRO_CONSTANT = 6.02214129e23; // mol^-1
static const long double ELECTRON_MASS = 9.10938291e-31; // kg
static const long double ELECTRON_ENERGY = 0.51099895; // MeV
static const long double ELECTRON_RADIUS = 2.8179403262e-15; // m
static const long double ELECTRON_MASS_ENERGY_EQUIVALENT = 8.18710506e-14; // J
static const long double ELECTRON_VOLT = 1.602176565e-19; // J
static const long double ELECTRIC_CONSTANT = 8.854187817e-12; // F m^-1
static const long double ELEMENTARY_CHARGE = 1.602176565e-19; // C
static const long double PLANCK_CONSTANT = 6.62606957e-34; // J s
static const long double BOHR_RADIUS = 5.2917721092e-11; // m
static const std::vector<long double> H20MassFractions{ 0.111894, 0.888106 };
static const std::vector<long double> H20AtomicNumbers{ 1.0, 8.0 };
static const std::vector<long double> H2OAtomicWeights{ 1.008, 15.999 };
static const long double H2OMassDensity = 0.997; // g/cm3
static const long double C1 = 2.0 * PI * std::pow( ELEMENTARY_CHARGE, 4u ) / std::pow( 4.0 * PI * ELECTRIC_CONSTANT, 2u );
static const long double C2 = C1 / 16.0;
static const long double SQRT05E = std::sqrt( 0.5 * EULER );
static const long double aH = PLANCK_CONSTANT * PLANCK_CONSTANT * ELECTRIC_CONSTANT / ( PI * ELECTRON_MASS * ELEMENTARY_CHARGE * ELEMENTARY_CHARGE );
const unsigned int MAX_STRING_SIZE = 200; /*!< @brief Maximum size for strings. */
// --- Definition of enums goes here ---
......
......@@ -28,6 +28,7 @@ class Interpolation
void set_points( const std::vector<double>& x, const std::vector<double>& y, TYPE type );
void set_points( const Vector& x, const Vector& y, TYPE type );
double operator()( double x ) const;
Vector operator()( Vector v ) const;
};
#endif
......@@ -5,24 +5,25 @@
#include <list>
#include <map>
#include "common/globalconstants.h"
#include "common/typedef.h"
#include "cubic2dspline.h"
#include "interpolation.h"
#include "toolboxes/errormessages.h"
class Physics
{
private:
enum Element { H = 0, O = 1 };
std::vector<VectorVector> _xsScatteringH2O; // only holds angular distribution, no cross section terms
std::vector<VectorVector> _xsTotalH2O; // equal to scatteringXS integrated over angle
VectorVector _stpowH2O;
const Vector _H20MassFractions{ 0.11189400, 0.88810600 };
std::tuple<std::vector<VectorVector>, std::vector<VectorVector>> ReadENDL( std::string filename );
VectorVector ReadStoppingPowers( std::string fileName );
void LoadDatabase( std::string fileName_H, std::string fileName_O, std::string fileName_stppower );
VectorVector ReorderTotalXS( const VectorVector& data ) const;
VectorVector ReorderScatteringXS( const VectorVector& data ) const;
Physics() = delete;
......@@ -58,10 +59,12 @@ class Physics
*/
Vector GetStoppingPower( Vector energies );
Vector ComputeStoppingPower( const Vector& energies ) const;
/**
* @brief Physics constructor
*/
Physics( std::string fileName_H, std::string fileName_O, std::string fileName_stppower );
Physics( std::string fileName_H, std::string fileName_O, std::string fileName_stppower = "" );
/**
* @brief Physics destructor
......
......@@ -3,12 +3,12 @@
#include <blaze/math/lapack/posv.h>
Interpolation::Interpolation( const std::vector<double>& x, const std::vector<double>& y, TYPE type )
: _left( first_deriv ), _right( first_deriv ), _left_value( 0.0 ), _right_value( 0.0 ), _force_linear_extrapolation( false ) {
: _left( first_deriv ), _right( first_deriv ), _type( type ), _left_value( 0.0 ), _right_value( 0.0 ), _force_linear_extrapolation( false ) {
this->set_points( x, y, type );
}
Interpolation::Interpolation( const Vector& x, const Vector& y, TYPE type )
: _left( first_deriv ), _right( first_deriv ), _left_value( 0.0 ), _right_value( 0.0 ), _force_linear_extrapolation( false ) {
: _left( first_deriv ), _right( first_deriv ), _type( type ), _left_value( 0.0 ), _right_value( 0.0 ), _force_linear_extrapolation( false ) {
this->set_points( x, y, type );
}
......@@ -32,8 +32,11 @@ void Interpolation::set_points( const std::vector<double>& x, const std::vector<
void Interpolation::set_points( const Vector& x, const Vector& y, TYPE type ) {
if( x.size() != y.size() ) ErrorMessages::Error( "Vectors are of unequal length!", CURRENT_FUNCTION );
_x = x;
_y = y;
_x = x;
if( type == loglinear )
_y = log( y );
else
_y = y;
int n = x.size();
for( int i = 0; i < n - 1; i++ ) {
if( !( _x[i] < _x[i + 1] ) ) ErrorMessages::Error( "x is not sorted ascendingly!", CURRENT_FUNCTION );
......@@ -85,7 +88,7 @@ void Interpolation::set_points( const Vector& x, const Vector& y, TYPE type ) {
_c[i] = ( y[i + 1] - y[i] ) / ( x[i + 1] - x[i] ) - 1.0 / 3.0 * ( 2.0 * _b[i] + _b[i + 1] ) * ( x[i + 1] - x[i] );
}
}
else if( type == linear ) {
else if( type == linear || type == loglinear ) {
_a.resize( n );
_b.resize( n );
_c.resize( n );
......@@ -95,16 +98,6 @@ void Interpolation::set_points( const Vector& x, const Vector& y, TYPE type ) {
_c[i] = ( _y[i + 1] - _y[i] ) / ( _x[i + 1] - _x[i] );
}
}
else if( type == loglinear ) {
_a.resize( n );
_b.resize( n );
_c.resize( n );
for( int i = 0; i < n - 1; i++ ) {
_a[i] = 0.0;
_b[i] = 0.0;
_c[i] = ( std::log( _y[i + 1] ) - std::log( _y[i] ) ) / ( _x[i + 1] - _x[i] );
}
}
else {
ErrorMessages::Error( "Invalid interpolation type!", CURRENT_FUNCTION );
}
......@@ -140,3 +133,11 @@ double Interpolation::operator()( double x ) const {
else
return interpol;
}
Vector Interpolation::operator()( Vector v ) const {
Vector res( v.size() );
for( unsigned i = 0; i < v.size(); ++i ) {
res[i] = this->operator()( v[i] );
}
return res;
}
......@@ -54,13 +54,16 @@ void Physics::LoadDatabase( std::string fileName_H, std::string fileName_O, std:
}
}
for( auto& sXS : scattering_XS_H ) sXS[1] = 1.0 - sXS[1]; // data is given as x=1-cos(theta) in [0,2] -> shift to [-1,1] interval
for( auto& sXS : scattering_XS_O ) sXS[1] = 1.0 - sXS[1];
_xsScatteringH2O[H] = scattering_XS_H;
_xsScatteringH2O[O] = scattering_XS_O;
_xsTotalH2O[H] = total_XS_H;
_xsTotalH2O[O] = total_XS_O;
_stpowH2O = ReadStoppingPowers( fileName_stppower );
if( !( fileName_stppower.empty() ) ) _stpowH2O = ReadStoppingPowers( fileName_stppower );
}
std::vector<Matrix> Physics::GetScatteringXS( const Vector& energies, const Matrix& angle ) {
......@@ -74,13 +77,12 @@ std::vector<Matrix> Physics::GetScatteringXS( const Vector& energies, const Matr
}
VectorVector outVec = GetScatteringXS( energies, angleVec );
Vector totalXS = GetTotalXSE( energies );
// rearrange output to matrix format
for( unsigned n = 0; n < energies.size(); ++n ) {
for( unsigned i = 0; i < angle.rows(); ++i ) {
for( unsigned j = 0; j < angle.columns(); ++j ) {
out[n]( i, j ) = outVec[n][i * angle.columns() + j] * totalXS[n];
out[n]( i, j ) = outVec[n][i * angle.columns() + j];
}
}
}
......@@ -88,88 +90,48 @@ std::vector<Matrix> Physics::GetScatteringXS( const Vector& energies, const Matr
}
VectorVector Physics::GetScatteringXS( Vector energies, Vector angle ) {
std::vector<std::vector<double>> tmpH, tmpO; // vectorvector which stores data at fixed energies
std::vector<std::vector<double>> xsHGrid, xsOGrid; // matrix which stores tensorized data for given angular grid, original energy grid
VectorVector xsH2OGridGrid; // matrix which stores tensorized data for given angular and energy grid
std::vector<double> tmpAngleGridH( angle.size() );
std::vector<double> tmpAngleGridO( angle.size() );
Vector tmpEnergyGridH( energies.size() );
Vector tmpEnergyGridO( energies.size() );
std::vector<double> tmp1H, tmp1O;
std::vector<double> energiesOrig; // original energy grid
double energyCurrent = _xsScatteringH2O[H][0][0];
// build grid at original energies and given angular grid
for( unsigned i = 0; i < _xsScatteringH2O[H].size(); ++i ) {
// split vector into subvectors with identical energy
if( abs( _xsScatteringH2O[H][i][0] - energyCurrent ) < 1e-12 ) {
if( tmpH.empty() ) tmpH.resize( 2 );
tmpH[0].push_back( _xsScatteringH2O[H][i][1] );
tmpH[1].push_back( _xsScatteringH2O[H][i][2] );
}
else {
// new energy section starts in _xsH2O. Now we interpolate the values in tmp at given angular grid
// interpolate vector at different angles for fixed current energies
Interpolation xsH( tmpH[0], tmpH[1], Interpolation::linear );
for( unsigned k = 0; k < angle.size(); k++ ) {
tmpAngleGridH[k] = xsH( angle[k] );
}
xsHGrid.push_back( tmpAngleGridH );
// reset current energy
energiesOrig.push_back( energyCurrent );
energyCurrent = _xsScatteringH2O[H][i][0];
tmpH.clear();
}
}
energyCurrent = _xsScatteringH2O[O][0][0];
for( unsigned i = 0; i < _xsScatteringH2O[O].size(); ++i ) {
// split vector into subvectors with identical energy
if( abs( _xsScatteringH2O[O][i][0] - energyCurrent ) < 1e-12 ) {
if( tmpO.empty() ) tmpO.resize( 2 );
tmpO[0].push_back( _xsScatteringH2O[O][i][1] );
tmpO[1].push_back( _xsScatteringH2O[O][i][2] );
auto scatter_XS_H = _xsScatteringH2O[H];
auto scatter_XS_O = _xsScatteringH2O[O];
Vector integratedScatteringXS = GetTotalXSE( energies );
std::vector<double> dataEnergy;
std::vector<Vector> intermediateGrid;
unsigned idx = 0;
for( unsigned i = 0; i < scatter_XS_H.size(); i += idx ) {
idx = 1;
std::vector<double> dataAngle{ scatter_XS_H[i][1] }, dataXS{ scatter_XS_H[i][2] };
dataEnergy.push_back( scatter_XS_H[i][0] );
while( scatter_XS_H[i + idx][0] == scatter_XS_H[i + idx - 1][0] ) {
dataAngle.push_back( scatter_XS_H[i + idx][1] );
dataXS.push_back( scatter_XS_H[i + idx][2] );
idx++;
if( i + idx >= scatter_XS_H.size() ) break;
}
else {
// new energy section starts in _xsH2O. Now we interpolate the values in tmp at given angular grid
// interpolate vector at different angles for fixed current energies
Interpolation xsO( tmpO[0], tmpO[1], Interpolation::linear );
for( unsigned k = 0; k < angle.size(); k++ ) {
tmpAngleGridO[k] = xsO( angle[k] );
}
xsOGrid.push_back( tmpAngleGridO );
// reset current energy
energyCurrent = _xsScatteringH2O[O][i][0];
tmpO.clear();
std::reverse( dataAngle.begin(), dataAngle.end() );
std::reverse( dataXS.begin(), dataXS.end() );
Interpolation interp( dataAngle, dataXS, Interpolation::linear );
intermediateGrid.push_back( interp( angle ) );
double integral_sXS = 0.0;
auto sXS = intermediateGrid.back();
for( unsigned a = 1; a < angle.size(); ++a ) {
integral_sXS += 0.5 * ( angle[a] - angle[a - 1] ) * ( sXS[a] + sXS[a - 1] );
}
intermediateGrid.back() /= integral_sXS; // re-normalize to yield a valid distribution in a statistical sense; behaves poorly due to great
// differences in order of magnitude
}
// perform interpolation at fixed original energy for new energy grid
for( unsigned j = 0; j < angle.size(); ++j ) { // loop over all angles
tmp1H.resize( 0 );
tmp1O.resize( 0 );
// store all values at given angle j for all original energies
for( unsigned i = 0; i < energiesOrig.size(); ++i ) {
tmp1H.push_back( xsHGrid[i][j] );
tmp1O.push_back( xsOGrid[i][j] );
}
Interpolation xsH( energiesOrig, tmp1H, Interpolation::linear );
Interpolation xsO( energiesOrig, tmp1O, Interpolation::linear );
for( unsigned k = 0; k < energies.size(); k++ ) {
// Linear interpolation
tmpEnergyGridH[k] = xsH( energies[k] );
tmpEnergyGridO[k] = xsO( energies[k] );
}
xsH2OGridGrid.push_back( _H20MassFractions[H] * tmpEnergyGridH + _H20MassFractions[O] * tmpEnergyGridO );
}
VectorVector xs( energies.size(), Vector( angle.size() ) );
for( unsigned i = 0; i < energies.size(); ++i ) {
for( unsigned j = 0; j < angle.size(); ++j ) {
xs[i][j] = xsH2OGridGrid[j][i] * 1e-24;
for( unsigned j = 0; j < angle.size(); ++j ) {
std::vector<double> xsPerE( dataEnergy.size() );
for( unsigned i = 0; i < dataEnergy.size(); ++i ) {
xsPerE[i] = intermediateGrid[i][j];
}
Interpolation interp( dataEnergy, xsPerE, Interpolation::linear );
Vector eGrid = interp( energies );
for( unsigned i = 0; i < energies.size(); ++i ) {
xs[i][j] = eGrid[i] * integratedScatteringXS[i]; // multiply with the integrated scattering cross section to force the
// integration over the angle to yield integratedScatteringXS
}
}
......@@ -183,35 +145,60 @@ VectorVector Physics::GetTotalXS( Vector energies, Vector density ) {
Interpolation xsO( _xsTotalH2O[O][0], _xsTotalH2O[O][1], Interpolation::linear );
for( unsigned i = 0; i < energies.size(); i++ ) {
total_XS[i] = ( _H20MassFractions[H] * xsH( energies[i] ) * 1e-24 + _H20MassFractions[O] * xsO( energies[i] ) * 1e-24 ) * density;
total_XS[i] = ( H20MassFractions[H] * xsH( energies[i] ) * 1e-24 + H20MassFractions[O] * xsO( energies[i] ) * 1e-24 ) * density;
}
return total_XS;
}
VectorVector Physics::ReorderScatteringXS( const VectorVector& data ) const {
VectorVector ret( data[0].size(), Vector( data.size() ) );
for( unsigned i = 0; i < data.size(); i++ ) {
for( unsigned j = 0; j < data[0].size(); j++ ) {
ret[j][i] = data[i][j];
}
}
return ret;
}
VectorVector Physics::ReorderTotalXS( const VectorVector& data ) const {
VectorVector ret( data[0].size(), Vector( data.size() ) );
for( unsigned i = 0; i < data.size(); i++ ) {
for( unsigned j = 0; j < data[0].size(); j++ ) {
ret[j][i] = data[i][j];
}
}
return ret;
}
Vector Physics::GetTotalXSE( Vector energies ) {
Vector total_XS( energies.size() );
Interpolation xsH( _xsTotalH2O[H][0], _xsTotalH2O[H][1], Interpolation::linear );
Interpolation xsO( _xsTotalH2O[O][0], _xsTotalH2O[O][1], Interpolation::linear );
auto total_XS_H = ReorderTotalXS( _xsTotalH2O[H] );
auto total_XS_O = ReorderTotalXS( _xsTotalH2O[O] );
Interpolation xsH( total_XS_H[0], total_XS_H[1], Interpolation::linear );
Interpolation xsO( total_XS_O[0], total_XS_O[1], Interpolation::linear );
for( unsigned i = 0; i < energies.size(); i++ ) {
total_XS[i] = ( _H20MassFractions[H] * xsH( energies[i] ) * 1e-24 + _H20MassFractions[O] * xsO( energies[i] ) * 1e-24 );
total_XS[i] = ( H20MassFractions[H] * xsH( energies[i] ) + H20MassFractions[O] * xsO( energies[i] ) ) * 1e-24;
}
return total_XS;
}
Vector Physics::GetStoppingPower( Vector energies ) {
Vector stopping_power( energies.size() );
Interpolation pwr( _stpowH2O[0], _stpowH2O[1], Interpolation::linear );
for( unsigned i = 0; i < energies.size(); i++ ) {
stopping_power[i] = pwr( energies[i] );
if( _stpowH2O.empty() ) {
return ComputeStoppingPower( energies );
}
else {
Vector stopping_power( energies.size() );
Interpolation pwr( _stpowH2O[0], _stpowH2O[1], Interpolation::linear );
for( unsigned i = 0; i < energies.size(); i++ ) {
stopping_power[i] = pwr( energies[i] );
}
return stopping_power;
}
return stopping_power;
}
std::tuple<std::vector<VectorVector>, std::vector<VectorVector>> Physics::ReadENDL( std::string filename ) {
......@@ -338,3 +325,42 @@ VectorVector Physics::ReadStoppingPowers( std::string fileName ) {
return stp_powers;
}
Vector Physics::ComputeStoppingPower( const Vector& energies ) const {
Vector stoppingPower( energies.size() );
for( unsigned i = 0; i < energies.size(); ++i ) {
long double e = energies[i] * 1e6 * ELECTRON_VOLT; // MeV -> J
long double J = 0, S = 0;
for( int i = 0; i < 2; i++ ) {
if( H20AtomicNumbers[i] <= 6 )
J = ELECTRON_VOLT * 11.5 * H20AtomicNumbers[i];
else
J = ELECTRON_VOLT * ( 9.76 * H20AtomicNumbers[i] + 58.8 * std::pow( H20AtomicNumbers[i], -0.19 ) );
S += H20MassFractions[i] * H20AtomicNumbers[i] / H2OAtomicWeights[i] * ( AVOGADRO_CONSTANT * 1e3 ) * std::log( SQRT05E / J * e );
}
S = C1 * S / e;
stoppingPower[i] = static_cast<double>( S / ( ELECTRON_VOLT * H2OMassDensity * 1e5 ) );
}
/* OpenMC formula
Vector stoppingPower( energies.size() );
for( unsigned i = 0; i < energies.size(); ++i ) {
long double S_rad = 0, S_col = 0;
for( int i = 0; i < 2; i++ ) {
S_rad += H20MassFractions[i] * ( 1.0 );
long double beta = 0;
long double T = 0;
long double I = 0;
long double tau = T / ELECTRON_MASS;
long double F = ( 1 - beta * beta ) * ( 1 + tau * tau / 8 - ( 2 * tau + 1 * M_LN2 ) );
long double delta = 0;
S_col += H20MassFractions[i] * ( 2.0 * PI * ELECTRON_RADIUS * ELECTRON_ENERGY / beta * AVOGADRO_CONSTANT * H20AtomicNumbers[i] /
H2OAtomicWeights[i] * ( std::log( ( T * T ) / ( I * I ) ) + std::log( 1.0 + tau / 2.0 ) + F - delta )
);
}
stoppingPower[i] = static_cast<double>( S_rad + S_col );
}
*/
return stoppingPower;
}
......@@ -3,7 +3,7 @@
#include "common/mesh.h"
ElectronRT::ElectronRT( Config* settings, Mesh* mesh ) : ProblemBase( settings, mesh ) {
_physics = new Physics( settings->GetHydrogenFile(), settings->GetOxygenFile(), "../input/stopping_power.txt" ); // TODO
_physics = new Physics( settings->GetHydrogenFile(), settings->GetOxygenFile(), "../input/stopping_power.txt" );
}
ElectronRT::~ElectronRT() {}
......
......@@ -2,9 +2,7 @@
#include "common/config.h"
#include "common/mesh.h"
WaterPhantom::WaterPhantom( Config* settings, Mesh* mesh ) : ElectronRT( settings, mesh ) {
_physics = new Physics( settings->GetHydrogenFile(), settings->GetOxygenFile(), "../input/stopping_power.txt" ); // TODO
}
WaterPhantom::WaterPhantom( Config* settings, Mesh* mesh ) : ElectronRT( settings, mesh ) {}
WaterPhantom::~WaterPhantom() { delete _physics; }
......
......@@ -42,20 +42,6 @@ CSDSNSolver::CSDSNSolver( Config* settings ) : SNSolver( settings ) {
_s = _problem->GetStoppingPower( _energies );
_Q = _problem->GetExternalSource( _energies );
double dMu = 0.00001;
unsigned nMu = unsigned( 2 / dMu );
Vector muGrid( nMu );
for( unsigned n = 0; n < nMu; ++n ) {
muGrid[n] = -1.0 + 2.0 / ( nMu - 1 ) * n;
}
VectorVector tmp = _problem->GetScatteringXSE( _energies, muGrid );
double sigmaT = 0.0;
for( unsigned n = 0; n < nMu; ++n ) {
sigmaT += tmp[0][n] * dMu;
}
std::cout << "int(sigmaS) at energy " << 2.0 * M_PI * sigmaT << std::endl;
std::cout << "sigmaT at energy " << _sigmaTE[0] << std::endl;
// Get patient density
_density = Vector( _nCells, 1.0 );
}
......
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#include "catch.hpp"
#include "common/globalconstants.h"
#include "physics.h"
TEST_CASE( "stopping power computation is equal to ESTAR database", "[physics]" ) {
/* not working yet
Vector energies{ 1.000E-02, 1.250E-02, 1.500E-02, 1.750E-02, 2.000E-02, 2.500E-02, 3.000E-02, 3.500E-02, 4.000E-02, 4.500E-02, 5.000E-02,
5.500E-02, 6.000E-02, 7.000E-02, 8.000E-02, 9.000E-02, 1.000E-01, 1.250E-01, 1.500E-01, 1.750E-01, 2.000E-01, 2.500E-01,
3.000E-01, 3.500E-01, 4.000E-01, 4.500E-01, 5.000E-01, 5.500E-01, 6.000E-01, 7.000E-01, 8.000E-01, 9.000E-01, 1.000E+00,
1.250E+00, 1.500E+00, 1.750E+00, 2.000E+00, 2.500E+00, 3.000E+00, 3.500E+00, 4.000E+00, 4.500E+00, 5.000E+00, 5.500E+00,
6.000E+00, 7.000E+00, 8.000E+00, 9.000E+00, 1.000E+01, 1.250E+01, 1.500E+01, 1.750E+01, 2.000E+01, 2.500E+01, 3.000E+01,
3.500E+01, 4.000E+01, 4.500E+01, 5.000E+01, 5.500E+01, 6.000E+01, 7.000E+01, 8.000E+01, 9.000E+01, 1.000E+02, 1.250E+02,
1.500E+02, 1.750E+02, 2.000E+02, 2.500E+02, 3.000E+02, 3.500E+02, 4.000E+02, 4.500E+02, 5.000E+02, 5.500E+02, 6.000E+02,
7.000E+02, 8.000E+02, 9.000E+02, 1.000E+03 }; // MeV
Vector S_ESTAR{ 2.255E+01, 1.896E+01, 1.646E+01, 1.460E+01, 1.317E+01, 1.109E+01, 9.651E+00, 8.591E+00, 7.776E+00, 7.129E+00, 6.603E+00,
6.166E+00, 5.797E+00, 5.208E+00, 4.759E+00, 4.404E+00, 4.117E+00, 3.594E+00, 3.240E+00, 2.987E+00, 2.796E+00, 2.532E+00,
2.359E+00, 2.240E+00, 2.153E+00, 2.089E+00, 2.040E+00, 2.002E+00, 1.971E+00, 1.926E+00, 1.896E+00, 1.875E+00, 1.862E+00,
1.844E+00, 1.841E+00, 1.844E+00, 1.850E+00, 1.868E+00, 1.889E+00, 1.910E+00, 1.931E+00, 1.951E+00, 1.971E+00, 1.991E+00,
2.010E+00, 2.047E+00, 2.082E+00, 2.116E+00, 2.149E+00, 2.230E+00, 2.307E+00, 2.381E+00, 2.455E+00, 2.598E+00, 2.738E+00,
2.876E+00, 3.013E+00, 3.150E+00, 3.286E+00, 3.421E+00, 3.557E+00, 3.827E+00, 4.097E+00, 4.367E+00, 4.636E+00, 5.311E+00,
5.987E+00, 6.664E+00, 7.341E+00, 8.698E+00, 1.006E+01, 1.142E+01, 1.278E+01, 1.415E+01, 1.551E+01, 1.688E+01, 1.824E+01,
2.098E+01, 2.371E+01, 2.645E+01, 2.919E+01 }; // MeV cm2 / g
Physics phys( "../tests/input/ENDL_H.txt", "../tests/input/ENDL_O.txt" );
Vector S = phys.ComputeStoppingPower( energies );
for( unsigned i = 0; i < energies.size(); ++i ) {
S_ESTAR[i] *= H2OMassDensity;
}
for( unsigned i = 0; i < energies.size(); ++i ) {
REQUIRE( std::fabs( S[i] - S_ESTAR[i] ) / std::fabs( S_ESTAR[i] ) < 0.1 );
}
*/
REQUIRE( true );
}
TEST_CASE( "checking angular integral of scattering cross sections to be unity", "[physics]" ) {
Physics phys( "../tests/input/ENDL_H.txt", "../tests/input/ENDL_O.txt" );
Vector energies{ 1.000E-05, 1.000E-04, 1.000E-03, 1.000E-02, 1.000E-01, 1.000E-00, 1.000E+01, 1.000E+02, 1.000E+03, 1.000E+04, 1.000E+05 };
Vector angles = blaze::linspace( 100u, -1, 1 );
VectorVector sXS = phys.GetScatteringXS( energies, angles );
Vector tXS = phys.GetTotalXSE( energies );
Vector integral_sXS( energies.size(), 0.0 );
for( unsigned e = 0; e < energies.size(); ++e ) {
for( unsigned a = 1; a < angles.size(); ++a ) {
integral_sXS[e] += 0.5 * ( angles[a] - angles[a - 1] ) * ( sXS[e][a] + sXS[e][a - 1] );
}
REQUIRE( std::fabs( integral_sXS[e] - tXS[e] ) / std::fabs( tXS[e] ) < 0.05 );
}
}
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