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catima/tests/test_calculations.cpp
hrocho 9b6f2569c4 scattering update and syncing from local
2021-01-12 21:50:15 +01:00

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#define DOCTEST_CONFIG_IMPLEMENT_WITH_MAIN
#define DOCTEST_CONFIG_SUPER_FAST_ASSERTS
#include "doctest.h"
#include "testutils.h"
#include <math.h>
#include "catima/catima.h"
#include "catima/calculations.h"
using namespace std;
TEST_CASE("nuclear stopping power"){
catima::Target carbon{12.0107,6};
catima::Projectile p{4.00151,2,2,1};
double dif;
p.T = 0.1/p.A; //0.1MeV
dif = catima::dedx_n(p,carbon) - 14.27;
CHECK( fabs(dif)< 1);
p.T = 1/p.A; //1MeV
dif = catima::dedx_n(p,carbon) - 2.161;
CHECK( fabs(dif)< 0.1);
p.T = 10/p.A; //10MeV
dif = catima::dedx_n(p,carbon) - 0.2874;
CHECK( fabs(dif) < 0.01);
p.T = 100/p.A; //100MeV
dif = catima::dedx_n(p,carbon) - 0.03455;
CHECK( fabs(dif) < 0.001);
}
TEST_CASE("proton stopping power from srim"){
catima::Projectile p{1,1,1,1};
auto he = catima::get_material(2);
auto carbon = catima::get_material(6);
p.T = 1;
CHECK( catima::sezi_dedx_e(p,he) == approx(283,1));
p.T = 10;
CHECK( catima::sezi_dedx_e(p,he) == approx(45.6,1));
p.T = 30;
CHECK( catima::sezi_dedx_e(p,he) == approx(18.38,1));
p.T = 1;
CHECK( catima::sezi_dedx_e(p,carbon) == approx(229.5,1));
p.T = 10;
CHECK( catima::sezi_dedx_e(p,carbon) == approx(40.8,1));
p.T = 30;
CHECK( catima::sezi_dedx_e(p,carbon) == approx(16.8,1));
}
TEST_CASE("dedx, low energy, from sezi"){
catima::Projectile p{4,2,2,1};
auto carbon = catima::get_material(6);
// He projectile TEST_CASE
p.T = 1;
CHECK( catima::sezi_dedx_e(p,carbon)+catima::dedx_n(p,carbon) == approx(922.06).R(0.0001) );
p.T = 3;
CHECK( catima::sezi_dedx_e(p,carbon)+catima::dedx_n(p,carbon) == approx(433.09).R(0.0001) );
// C projectile TEST_CASE
p.A = 12;
p.Z = 6;
p.T = 1;
CHECK( catima::sezi_dedx_e(p,carbon)+catima::dedx_n(p,carbon) == approx( 5792.52).R(0.0001) );
p.T = 9.9;
CHECK( catima::sezi_dedx_e(p,carbon)+catima::dedx_n(p,carbon) == approx(1485.36).R(0.0001) );
}
TEST_CASE("LS check: deltaL values"){
catima::Projectile p{238,92,92,1};
p.T = 93.1494;
CHECK(catima::bethek_lindhard(p)== approx(-0.5688,0.0001));
p.T = 380.9932;
CHECK(catima::bethek_lindhard(p)== approx(0.549199,0.0001));
p.T = 995.368987;
CHECK(catima::bethek_lindhard(p)== approx(1.106649).R(0.001) );
p.T = 2640.032566;
CHECK(catima::bethek_lindhard(p)== approx(1.35314).R(0.001) );
p.T = 6091.392448;
CHECK(catima::bethek_lindhard(p)== approx(1.365643).R(0.001) );
p.T = 37277.695445;
CHECK(catima::bethek_lindhard(p)== approx(0.689662).R(0.001) );
}
TEST_CASE("LS check: straggling values"){
catima::Projectile p{238,92,92,1};
auto f = [&](){return catima::bethek_lindhard_X(p);};
p.T = 93.1494;
CHECK( f() == approx(1.56898).R(0.01) );
p.T = 380.9932;
CHECK( f() == approx(1.836008).R(0.01) );
p.T = 996.9855;
CHECK( f() == approx(1.836528).R(0.01) );
p.T = 2794.4822;
CHECK( f()== approx(1.768018).R(0.01) );
for(double e:{2000,20000,200000, 9000000, 50000000})
CHECK(catima::precalculated_lindhard_X(p(e)) >= 0.0);
}
TEST_CASE("ultrarelativistic corrections"){
catima::Projectile p{238,92};
catima::Target t{27,13};
CHECK(catima::pair_production(p(1e3),t) == approx(0.0,1e-3));
CHECK(catima::bremsstrahlung(p(1e3),t) == approx(0.0,1e-3));
CHECK(catima::pair_production(p(1e6),t) == approx(1900,300));
CHECK(catima::bremsstrahlung(p(1e6),t) == approx(170,20));
CHECK(catima::pair_production(p(7e6),t) == approx(19000,5000));
CHECK(catima::bremsstrahlung(p(7e6),t) == approx(6000,500));
}
TEST_CASE("dEdx for compounds"){
catima::Projectile p{1,1,1,1000};
catima::Material water({
{1.00794,1,2},
{15.9994,8,1}
});
CHECK( catima::dedx(p(1000), water) == approx(2.23).R(5e-3));
CHECK( catima::dedx(p(500), water) == approx(2.76).R(5e-3));
CHECK( catima::dedx(p(9), water) == approx(51.17).R(5e-3));
}
TEST_CASE("dEdx from spline vs dEdx"){
catima::Projectile p{238,92,92,1000};
catima::Material graphite({
{12.011,6,1},
});
graphite.density(2);
auto res = catima::calculate(p(1000),graphite);
CHECK(catima::dedx(p(1000), graphite) == approx(res.dEdxi).R(0.001) );
res = catima::calculate(p,graphite,500);
CHECK(catima::dedx(p(500), graphite) == approx(res.dEdxi).R(0.001) );
res = catima::calculate(p,graphite,9);
CHECK(catima::dedx(p(9), graphite) == approx(res.dEdxi).R(0.001) );
}
TEST_CASE("Eout test"){
catima::Projectile p{12,6,6,1000};
catima::Material water({
{1.00794,1,2},
{15.9994,8,1}
});
catima::Material graphite;
graphite.add_element(12,6,1);
graphite.density(2.0);
graphite.thickness(0.5);
auto res = catima::calculate(p,graphite);
CHECK( res.Eout == approx(997.07,01));
}
TEST_CASE("TOF test"){
catima::Projectile p{12,6,6,1000};
catima::Material water({
{1.00794,1,2},
{15.9994,8,1}
});
water.density(1.0);
water.thickness(1.0);
catima::Material graphite;
graphite.add_element(12,6,1);
graphite.density(2.0);
graphite.thickness(0.5);
double dif;
auto res = catima::calculate(p,water);
dif = res.tof - 0.038;
CHECK( fabs(dif) < 0.01);
}
TEST_CASE("scattering length"){
catima::Material be = catima::get_material(4);
double x0 = catima::radiation_length(be);
double xs = catima::scattering_length(be);
CHECK(xs/x0 == approx(1.4,0.1));
catima::Material pb = catima::get_material(82);
x0 = catima::radiation_length(pb);
xs = catima::scattering_length(pb);
CHECK(xs/x0 == approx(1.04,0.04));
}
TEST_CASE("scattering_kanematsu"){
catima::Config conf;
catima::Projectile p{1,1,1,158.6};
{ //p->Be
catima::Material be = catima::get_material(4);
double r0 = catima::range(p,be);
conf.scattering = catima::scattering_types::fermi_rossi;
be.thickness(r0*0.01);
auto r1 = catima::calculate(p,be,conf);
be.thickness(r0*0.1);
auto r10 = catima::calculate(p,be,conf);
CHECK(r1.sigma_a*1000 == approx(2.93,0.1));
CHECK(r10.sigma_a*1000 == approx(9.49,0.4));
conf.scattering = catima::scattering_types::dhighland;
be.thickness(r0*0.01);
r1 = catima::calculate(p,be,conf);
be.thickness(r0*0.1);
r10 = catima::calculate(p,be,conf);
CHECK(r1.sigma_a*1000 == approx(2.04,0.1));
CHECK(r10.sigma_a*1000 == approx(7.61,0.3));
}
{ //p->Cu
catima::Material cu = catima::get_material(29);
double r0 = catima::range(p,cu);
conf.scattering = catima::scattering_types::fermi_rossi;
cu.thickness(r0*0.01);
auto r1 = catima::calculate(p,cu,conf);
cu.thickness(r0*0.1);
auto r10 = catima::calculate(p,cu,conf);
CHECK(r1.sigma_a*1000 == approx(7.23,0.3));
CHECK(r10.sigma_a*1000 == approx(23.5,0.8));
conf.scattering = catima::scattering_types::dhighland;
cu.thickness(r0*0.01);
r1 = catima::calculate(p,cu,conf);
cu.thickness(r0*0.1);
r10 = catima::calculate(p,cu,conf);
CHECK(r1.sigma_a*1000 == approx(5.63,0.25));
CHECK(r10.sigma_a*1000 == approx(20.7,0.8));
}
{ //p->Pb
catima::Material pb = catima::get_material(82);
pb.density(11.35);
pb.I(823);
double r0 = catima::range(p,pb);
conf.scattering = catima::scattering_types::fermi_rossi;
pb.thickness(r0*0.01);
auto r1 = catima::calculate(p,pb,conf);
pb.thickness(r0*0.1);
auto r10 = catima::calculate(p,pb,conf);
CHECK(r1.sigma_a*1000 == approx(11.88,0.5));
CHECK(r10.sigma_a*1000 == approx(38.6,1.2));
conf.scattering = catima::scattering_types::dhighland;
pb.thickness(r0*0.01);
r1 = catima::calculate(p,pb,conf);
pb.thickness(r0*0.1);
r10 = catima::calculate(p,pb,conf);
CHECK(r1.sigma_a*1000 == approx(9.75,0.25));
CHECK(r10.sigma_a*1000 == approx(35.8,1.2));
}
}
TEST_CASE("angular scattering"){
catima::Config conf;
catima::Projectile p{1,1,1,158.6};
catima::Material cu = catima::get_material(29);
catima::Material water = catima::get_material(catima::material::Water);
p.T = 158.6;
/*
for(double th = 0.01;th<3;th+=0.02){
cu.thickness(th);
conf.scattering = catima::scattering_types::fermi_rossi;
auto r1 = catima::calculate(p,cu,conf);
conf.scattering = catima::scattering_types::atima_scattering;
auto r2= catima::calculate(p,cu, conf);
CHECK( r2.sigma_a == approx(r1.sigma_a).R(1e-3));
}
*/
cu.thickness_cm(0.02963);
auto res = catima::calculate(p,cu);
CHECK( 1000*res.sigma_a == approx(7.2,0.5));
cu.thickness_cm(0.2963);
res = catima::calculate(p,cu);
CHECK( 1000*res.sigma_a == approx(23.5,3));
catima::Layers ll;
cu.thickness_cm(0.2963/2.);
ll.add(cu);
ll.add(cu);
auto res2 = catima::calculate(p,ll);
CHECK( 1000*res2.total_result.sigma_a == approx(23.5,3));
CHECK( 1000*res2.total_result.sigma_a == approx(1000*res.sigma_a,0.05));
}
TEST_CASE("displacement test"){
catima::Projectile p{1,1,1,215};
catima::Material water({
{1.00794,1,2},
{15.9994,8,1}
});
water.density(1.0);
catima::Material water2({
{1.00794,1,2},
{15.9994,8,1}
});
water2.thickness_cm(9.6);
water2.density(2.0);
water.thickness_cm(9.6);
auto res = catima::calculate(p,water);
CHECK( res.sigma_x == approx(0.1,0.03));
auto resb = catima::calculate(p,water2);
CHECK( res.sigma_x > resb.sigma_x);
water.thickness_cm(17.0);
auto res17 = catima::calculate(p,water);
CHECK( res17.sigma_x == approx(0.25,0.05));
water.thickness_cm(29.4);
auto res29 = catima::calculate(p,water);
CHECK( res29.sigma_x == approx(0.66,0.08));
catima::Layers ll;
water.thickness_cm(9.6);
ll.add(water);
auto res2 = catima::calculate(p,ll);
CHECK(res2.total_result.sigma_x == approx(0.1,0.03));
water.thickness_cm(7.4);
ll.add(water);
res2 = catima::calculate(p,ll);
CHECK(ll.thickness_cm() == approx(17,0.00001));
CHECK(res2.total_result.sigma_x == approx(0.25,0.05));
CHECK(res2.total_result.sigma_x == approx(res17.sigma_x).R(0.03));
catima::Layers l;
water.thickness_cm(9.6/3);
l.add(water);
l.add(water);
l.add(water);
res2 = catima::calculate(p(215),l);
CHECK(res2.total_result.sigma_x == approx(res.sigma_x).R(0.03));
for(int n=2;n<10;n++){
catima::Layers lll;
water.thickness_cm(29.4/n);
for(int i=0;i<n;i++)lll.add(water);
res2 = catima::calculate(p(215),lll);
CHECK(res2.total_result.sigma_x == approx(res29.sigma_x).R(0.025));
}
/// position sigma is taken from range thickness if particle stoppped inside
water.thickness_cm(30);
auto r1 = catima::calculate(p,water);
water.thickness_cm(40);
auto r2 = catima::calculate(p,water);
CHECK(r1.sigma_x == approx(r2.sigma_x).R(0.01));
}
TEST_CASE("result from stopped material"){
catima::Projectile p{12,6,6,1000};
catima::Material water({
{1.00794,1,2},
{15.9994,8,1}
});
water.density(1.0);
water.thickness(1000.0);
auto res = catima::calculate(p,water);
CHECK(res.Eout == 0.0);
CHECK(res.Eloss == 1000*12);
CHECK(res.sigma_E == 0.0);
CHECK(res.sigma_a == 0.0);
CHECK(res.sigma_r > 0.0);
CHECK(res.dEdxo == 0.0);
CHECK(res.tof == 0.0);
catima::Layers mat;
mat.add(water);
auto res2= catima::calculate(p,mat);
CHECK(res2.results.size() == 1);
CHECK(res2.total_result.Eout == res2.results[0].Eout);
CHECK(res2.total_result.Eout == 0.0);
CHECK(res2.total_result.Eloss == 1000*12);
CHECK(res2.total_result.sigma_E == 0.0);
CHECK(res2.total_result.sigma_a == 0.0);
CHECK(res2.total_result.tof == 0.0);
}
TEST_CASE("constant results from material"){
catima::Projectile p{12,6,6,1000};
catima::Material water({
{1.00794,1,2},
{15.9994,8,1}
});
water.density(1.0);
water.thickness(10.0);
auto res = catima::calculate(p,water);
auto res2 = catima::calculate(p,water);
CHECK(res.Eout == res2.Eout);
CHECK(res.Eloss == res2.Eloss);
CHECK(res.sigma_E == res2.sigma_E);
CHECK(res.sigma_a == res2.sigma_a);
CHECK(res.sigma_r == res2.sigma_r);
CHECK(res.dEdxo == res2.dEdxo);
CHECK(res.tof == res2.tof);
}
TEST_CASE("simplified calculation"){
catima::Projectile p{12,6,6,1000};
catima::Material graphite({
{12.011,6,1},
});
graphite.density(2.0).thickness(1.0);
auto res1 = catima::calculate(p,graphite);
auto res2 = catima::calculate(12,6,1000,12.011,6,1.0,2.0);
CHECK(res1.Eout == res2.Eout);
CHECK(res1.Eloss == res2.Eloss);
CHECK(res1.sigma_E == res2.sigma_E);
CHECK(res1.sigma_a == res2.sigma_a);
CHECK(res1.sigma_r == res2.sigma_r);
CHECK(res1.dEdxo == res2.dEdxo);
CHECK(res1.tof == res2.tof);
auto ra = catima::angular_straggling_from_E(p,res1.Ein,res1.Eout,graphite);
CHECK(res1.sigma_a == approx(ra).R(1e-3));
auto re = catima::energy_straggling_from_E(p,res1.Ein,res1.Eout,graphite);
CHECK(res1.sigma_E == re);
auto eo1 = catima::energy_out(p(1000),graphite);
CHECK(res1.Eout == eo1);
auto de1 = catima::dedx_from_range(p(1000),graphite);
CHECK(res1.dEdxi == de1);
}
TEST_CASE("multilayer basic"){
catima::Projectile p{12,6,6,1000};
catima::Material water({
{1.00794,1,2},
{15.9994,8,1}
});
water.density(1.0);
water.thickness(10.0);
catima::Material graphite({
{12.011,6,1},
});
graphite.density(2.0).thickness(1.0);
catima::Layers mat;
mat.add(water);
mat.add(graphite);
auto res = catima::calculate(p(1000),mat);
CHECK(res.total_result.Eout == approx(926.3,0.1));
CHECK(res.total_result.sigma_a == approx(0.00269).R(0.05));
CHECK(res.total_result.tof == approx(0.402).R(0.001));
CHECK(res.total_result.Eloss == approx(884.2,1.0));
//CHECK(rcompare(res.total_result.sigma_E,0.7067,0.2));
CHECK(res.results[0].Eout == approx(932.24,0.1));
CHECK(res.results[0].sigma_a == approx(0.00258).R(0.05));
CHECK(res.results[0].range == approx(107.163,0.1));
CHECK(res.results[1].Eout == approx(926.3,0.1));
CHECK(res.results[1].sigma_a == approx(0.000774).R(0.05));
CHECK(res.results[1].range == approx(111.3,0.1));
auto res0 = catima::calculate(p(1000),water);
CHECK(res0.Eout == res.results[0].Eout);
CHECK(res0.sigma_a == res.results[0].sigma_a);
CHECK(res0.sigma_E == res.results[0].sigma_E);
CHECK(res0.sigma_r == res.results[0].sigma_r);
CHECK(res0.tof == res.results[0].tof);
}
TEST_CASE("default material calculations"){
catima::Projectile p{12,6,6,350};
auto air = catima::get_material(catima::material::Air);
air.thickness(0.500);
auto res = catima::calculate(p(350),air);
CHECK(res.Eout == approx(345.6).epsilon(1.0));
CHECK(res.sigma_a == approx(0.0013).epsilon(1e-4));
CHECK(res.sigma_E == approx(0.12).epsilon(1e-3));
CHECK(res.dEdxi == approx(103.5).epsilon(1e-1));
res = catima::calculate(p(150),air);
CHECK(res.dEdxi == approx(173.6).epsilon(1e0));
res = catima::calculate(p(1000),air);
CHECK(res.dEdxi == approx(70.69).epsilon(1e-0));
auto water = catima::get_material(catima::material::Water);
auto res2 = catima::calculate(p(600),water,600);
CHECK(res2.dEdxi == approx(92.5).epsilon(2));
CHECK(catima::radiation_length(water)==approx(36.1,0.2));
}
TEST_CASE("z_eff"){
using namespace catima;
Projectile p_u(238,92);
Target t;
t.Z = 13;
Config c;
c.z_effective = z_eff_type::pierce_blann;
CHECK(z_eff_Pierce_Blann(92,beta_from_T(5000.)) == approx(91.8).epsilon(0.2));
CHECK(z_eff_Pierce_Blann(92,beta_from_T(5000.)) == z_effective(p_u(5000.),t,c));
CHECK(z_eff_Winger(92,0.99,6) == approx(91.8).epsilon(0.5));
CHECK(z_eff_Winger(92,beta_from_T(5000.),13) == approx(91.8).epsilon(0.2));
c.z_effective = z_eff_type::winger;
CHECK(z_eff_Winger(92,beta_from_T(5000.),13) == z_effective(p_u(5000.),t,c));
CHECK(z_eff_Schiwietz(92,0.99,6) == approx(91.8).epsilon(0.5));
c.z_effective = z_eff_type::schiwietz;
CHECK(z_eff_Schiwietz(92,beta_from_T(5000.),13) == z_effective(p_u(5000.),t,c));
CHECK(z_eff_Hubert(92,1900,13) == approx(91.88).epsilon(0.1));
c.z_effective = z_eff_type::hubert;
CHECK(z_eff_Hubert(92,1900,13) == z_effective(p_u(1900.),t,c));
#ifdef GLOBAL
CHECK(z_eff_global(92,1900,13) == approx(91.88).epsilon(0.05));
c.z_effective = z_eff_type::global;
CHECK(z_eff_global(92,1900,13) == z_effective(p_u(1900.),t,c));
CHECK(z_eff_global(92,1000,13) == approx(91.71).epsilon(0.05));
CHECK(z_eff_global(92,500,13) == approx(91.22).epsilon(0.1));
CHECK(z_eff_global(92,100,6) == approx(89.61).epsilon(0.2));
//CHECK(z_eff_global(92,100,13) == approx(89.42).epsilon(0.1));
//CHECK(z_eff_global(92,100,29) == approx(88.37).epsilon(0.1));
//CHECK(z_eff_global(92,50,13) == approx(85.94).epsilon(0.1));
CHECK(z_eff_global(92,2001,13) == approx(92.0).epsilon(0.01));
CHECK(z_eff_global(92,2000,13) == approx(92.0).epsilon(0.2));
CHECK(z_eff_atima14(92,1900,13) == approx(91.88).epsilon(0.05));
c.z_effective = z_eff_type::atima14;
CHECK(z_eff_atima14(92,1900,13) == z_effective(p_u(1900.),t,c));
#endif
}
TEST_CASE("vector_inputs"){
catima::Projectile p{12,6,6,1000};
catima::Material water({
{1.00794,1,2},
{15.9994,8,1}
});
catima::Material graphite;
graphite.add_element(12,6,1);
graphite.density(2.0);
graphite.thickness(0.5);
auto res = catima::calculate(p,graphite);
CHECK( res.Eout == approx(997.07,01));
std::vector<double> energies{100,500,1000};
auto res2 = catima::energy_out(p,energies, graphite);
CHECK(res2.size()==energies.size());
CHECK(res2[2] == approx(997.07,01));
CHECK(res2[0] == approx(catima::energy_out(p(energies[0]),graphite),0.1));
CHECK(res2[1] == approx(catima::energy_out(p(energies[1]),graphite),0.1));
CHECK(res2[2] == approx(catima::energy_out(p(energies[2]),graphite),0.1));
auto res3 = catima::dedx_from_range(p,energies,graphite);
CHECK(res3.size()==energies.size());
CHECK(res3[0] == approx(catima::dedx_from_range(p(energies[0]),graphite),0.1));
CHECK(res3[1] == approx(catima::dedx_from_range(p(energies[1]),graphite),0.1));
CHECK(res3[2] == approx(catima::dedx_from_range(p(energies[2]),graphite),0.1));
}
TEST_CASE("constants"){
using namespace catima;
CHECK(0.1*hbar*c_light/atomic_mass_unit == approx(0.21183,0.0001));
CHECK(16.0*dedx_constant*electron_mass*fine_structure/(atomic_mass_unit*3.0*4.0*PI) == approx(5.21721169334564e-7).R(1e-3));
}
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