catima/tests/test_structures.cpp

#include "lest.hpp"
#include "testutils.h"
#include <math.h>
using namespace std;
using catima::approx;

#include "catima/catima.h"
#include "catima/material_database.h"

bool rcompare(double a, double b,double eps){
    if(fabs((a-b)/fabs(b))<eps){
      return true;
    }
    else{
      std::cout<<"\033[1;31m"<<a<<" == "<<b<<"\033[0m"<<std::endl;
      return false;
    }
      
}

const lest::test specification[] =
{
    CASE("atima material basic tests"){
        SETUP(""){
            catima::Material water({
                {1,1,2},
                {16,8,1}
                });
                
            catima::Material water2;
            water2.add_element(1,1,2);
            water2.add_element(16,8,1);
                
            catima::Material graphite;
            graphite.add_element(12,6,1);
            graphite.density(1.8);
            
            SECTION("component number check"){
                EXPECT(graphite.ncomponents()==1);
                EXPECT(water.ncomponents()==2);
                
                graphite.add_element(18,40,1);
                EXPECT(graphite.ncomponents()==2);      
                EXPECT(water.M()==18);
            }
            SECTION("Molar mass check"){
                EXPECT(graphite.M()==12);
                EXPECT(water.ncomponents()==2);
                EXPECT(water.M()==18);
                EXPECT(water2.ncomponents()==2);
                EXPECT(water2.M()==18);
            }
            SECTION("equal operator check"){
              EXPECT(water==water2);
              EXPECT(!(water==graphite));
            }
            SECTION("default ionisation potential"){
              EXPECT(graphite.I()==0.0);
            }
            SECTION("length"){
                water.density(1.0);
                water.thickness(1.0);
                EXPECT(water.thickness()==approx(1.0,0.0001));
                water.thickness_cm(1.0);
                EXPECT(water.thickness()==approx(1.0,0.0001));
                water.thickness_cm(2.0);
                EXPECT(water.thickness()==approx(2.0,0.0001));
            }
        }
    },
    CASE("Material automatic atomic weight"){
        catima::Material water({{0,1,2},{0,8,1}});
        catima::Material graphite(0,6);
        EXPECT(water.get_element(0).A == 1.00794);
        EXPECT(water.get_element(1).A == 15.9994);
        EXPECT(graphite.get_element(0).A == 12.0107);
        EXPECT(water.M()>16);
        EXPECT(graphite.M()>12);
    },
    CASE("default materials"){
        catima::Material m = catima::get_material(6);
        EXPECT(m.get_element(0).A == 12.0107);
        EXPECT(m.get_element(0).Z == 6);
        EXPECT(m.density() == 2.0);
        EXPECT(m.M() == 12.0107);

        m = catima::get_material(catima::material::Water);
        EXPECT(m.get_element(0).A == 1.00794);
        EXPECT(m.get_element(0).Z == 1);
        EXPECT(m.get_element(1).A == 15.9994);
        EXPECT(m.get_element(1).Z == 8);
        EXPECT(m.density() == 1.0);
    },
    CASE("Layers"){
        catima::Material water2;
        water2.add_element(1,1,2);
        water2.add_element(16,8,1);
        water2.density(1.0).thickness(2.0);
                
        catima::Material graphite;
        graphite.add_element(12,6,1);
        graphite.density(1.8).thickness(1.0);

        catima::Layers detector1;
        EXPECT(detector1.num() == 0);
        detector1.add(graphite);
        EXPECT(detector1.num() == 1);
        detector1.add(water2);
        detector1.add(graphite);
        EXPECT(detector1.num() == 3);
        // check correct density and thickness
        EXPECT(detector1[0].density()==1.8);
        EXPECT(detector1[0].thickness()==1.0);
        EXPECT(detector1[1].density()==1.0);
        EXPECT(detector1[1].thickness()==2.0);
        EXPECT(detector1[0].get_element(0).Z == 6);
        EXPECT(detector1[0].get_element(0).A == 12);
        EXPECT(detector1[1].get_element(0).A == 1);
        EXPECT(detector1[1].get_element(0).Z == 1);
        EXPECT(detector1[2].density() == 1.8);
        detector1[1].density(1.2);
        EXPECT(detector1[1].density()==1.2);

        catima::Layers detector2;
        detector2 = detector1;
        EXPECT(detector2.num() == 3);

        detector2.add(water2);
        detector2.add(graphite);
        EXPECT(detector2.num() == 5);

        catima::Layers focal_material = detector1 + detector2;
        EXPECT(focal_material.num() == 8);
    
    },
    CASE("basic projectile tests"){
      catima::Projectile p{12,6,6,1000};
      EXPECT(p.A==12);
      EXPECT(p.Z==6);
      EXPECT(p.Q==6);
      EXPECT(p.T==1000);
      
      catima::Projectile p2(12,6);
      EXPECT(p.A==12);
      EXPECT(p2.Z==6);
      EXPECT(p2.Q==6);
      EXPECT(p2.T==0);
      p2(1000);
      EXPECT(p2.T==1000);
      p2(1000)(500);
      EXPECT(p2.T==500);

      catima::Projectile p3(12,6,5);
      
      EXPECT(p==p2);
      EXPECT( !(p==p3));
    },
    CASE("basic config test"){
      catima::Config c1;
      catima::Config c2;
      catima::Config c3{catima::z_eff_type::none};
      catima::Config c4;
      EXPECT(c1.z_effective == catima::default_config.z_effective);

      EXPECT(c1==c2);
      EXPECT( !(c1==c3));
      EXPECT(c1==c4);
      
      c4.z_effective = catima::z_eff_type::global;
      EXPECT(!(c1==c4));
      auto c5 = c4;
      EXPECT(c4==c5);
      
      c4.z_effective = catima::z_eff_type::hubert;
      EXPECT(!(c4==c5) );
      EXPECT(!(c4==c1));
      c4.z_effective = catima::default_config.z_effective;
      EXPECT(!(c5==c4));
      EXPECT((c1==c4));
    },
    CASE("constructors test"){
        catima::Material mat2(12,6,2.5,0.1);
        catima::Material mat3(12.01,6);
        catima::Material mat4({{12.01,6,1.0}});
        catima::Material mat5({
                        {12.01, 6, 1},
                        {16.00, 8, 2}
                        });
        EXPECT(mat2.ncomponents()==1);
        EXPECT(mat3.ncomponents()==1);
        EXPECT(mat3.get_element(0).A==12.01);
        EXPECT(mat4.ncomponents()==1);
        EXPECT(mat4.get_element(0).A==12.01);
        EXPECT(mat5.ncomponents()==2);
        EXPECT(mat5.get_element(0).A==12.01);
        EXPECT(mat5.get_element(0).Z==6);
        EXPECT(mat5.get_element(1).A==16.0);
        EXPECT(mat5.get_element(1).stn==2);
        
        catima::Material mat6;
        mat6 = mat5;
        EXPECT(mat5==mat6);
        EXPECT(mat5.density() == mat6.density());
        EXPECT(mat5.ncomponents()==mat6.ncomponents());
        EXPECT(mat5.get_element(0).A==mat6.get_element(0).A);
        EXPECT(mat5.get_element(1).A==mat6.get_element(1).A);
        mat5.add_element(12,6,1);
        EXPECT(mat5.ncomponents()==mat6.ncomponents()+1);
        
        // constructor with custom Ipot 
        catima::Material water1({
                {1,1,2},
                {16,8,1}
                },1.0);
        catima::Material water2({
                {1,1,2},
                {16,8,1}
                },1.0, 78.0);
        EXPECT(water1.ncomponents()==2);
        EXPECT(water2.ncomponents()==2);
        EXPECT(water1.density()==1.0);
        EXPECT(water2.density()==1.0); 
        EXPECT(water1.I()==0.0); 
        EXPECT(water2.I()==78.0); 
        EXPECT_NOT(water1==water2); 

    },
    CASE("fraction vs stn init"){
      catima::Projectile p{12,6};
      catima::Material water1({
                        {0, 1, 0.111894},
                        {0, 8, 0.888106}
                        });
      catima::Material water2({
                        {0, 1, 2},
                        {0, 8, 1}
                        });
      water1.thickness(1.0);
      water2.thickness(1.0);
      auto res1 = catima::calculate(p(600),water1);
      auto res2 = catima::calculate(p(600),water2);
      EXPECT(res1.dEdxi == approx(res2.dEdxi,0.001));
      EXPECT(res1.range == approx(res2.range).R(1e-2));
      EXPECT(res1.sigma_a == approx(res2.sigma_a).R(1e-2));
      EXPECT(res1.sigma_r == approx(res2.sigma_r).R(1e-2));
    },
    CASE("fraction calculation"){
        catima::Material water1({
                        {0, 1, 0.111898},
                        {0, 8, 0.888102}
                        });
        catima::Material water2({
                        {0, 1, 2},
                        {0, 8, 1}
                        });

        auto air = catima::get_material(catima::material::Air);

        EXPECT(water1.weight_fraction(0)==0.111898);
        EXPECT(water2.weight_fraction(0)==approx(water1.weight_fraction(0)).R(1e-5));
        EXPECT(water1.weight_fraction(1)==0.888102);
        EXPECT(water2.weight_fraction(1)==approx(water1.weight_fraction(1)).R(1e-5));
        EXPECT(water2.M()==approx(18).epsilon(0.1));

        EXPECT(water1.M()==approx(6.0,0.1));
        EXPECT(water2.M()==approx(18,0.1));

        EXPECT(water1.molar_fraction(0)==approx(2.0/3.0).R(1e-5));
        EXPECT(water2.molar_fraction(0)==approx(2.0).R(1e-5));
        EXPECT(water1.molar_fraction(1)==approx(1.0/3.0).R(1e-5));
        EXPECT(water2.molar_fraction(1)==approx(1.0).R(1e-5));
        EXPECT(water1.molar_fraction(0)/water1.molar_fraction(1)==approx(2.0).R(1e-5));
        EXPECT(water2.molar_fraction(0)/water2.molar_fraction(1)==approx(2.0).R(1e-5));


        catima::Material mat({12.0,6,1});
        EXPECT(mat.M()==approx(12.0,0.001));
        EXPECT(mat.weight_fraction(0)==approx(1.0).R(1e-6));

        //EXPECT(air.M() == approx(28.97,0.1));

    },
    CASE("number density"){
        catima::Material c({12.0,6,1});
        auto water = catima::get_material(catima::material::Water);
        auto air = catima::get_material(catima::material::Air);
        water.density(0.9982);
        c.density(3.513);
        air.density(1.2041e-3);

        c.thickness_cm(1.0);
        EXPECT(c.number_density()==approx(1.7662,0.01));
        EXPECT(c.number_density_cm2()==approx(1.7662,0.01));
        EXPECT(c.number_density(0)==approx(1.7662,0.01));
        EXPECT(c.number_density_cm2(0)==approx(1.7662,0.01));
        EXPECT(c.number_density(1)==0.0);
        EXPECT(c.number_density_cm2(1)==0.0);
        c.thickness_cm(2.0);
        EXPECT(c.number_density()==approx(1.7662,0.01));
        EXPECT(c.number_density_cm2()==approx(2.0*1.7662,0.01));
        
        water.thickness_cm(1.0);
        EXPECT(water.number_density()==approx(0.3336,0.001));
        EXPECT(water.number_density_cm2()==approx(0.3336,0.001));
        EXPECT(water.number_density(0)==approx(2*0.3336,0.001));
        EXPECT(water.number_density_cm2(0)==approx(2*0.3336,0.001));
        EXPECT(water.number_density(1)==approx(0.3336,0.001));
        EXPECT(water.number_density_cm2(1)==approx(0.3336,0.001));
        water.thickness_cm(3.0);
        EXPECT(water.number_density_cm2()==approx(3.0*0.3336,0.001));
    
        air.thickness_cm(1.0);
        EXPECT(air.number_density(0)==approx(air.molar_fraction(0)*2*0.0002504,0.00001));
        EXPECT(air.number_density(1)==approx(air.molar_fraction(1)*2*0.0002504,0.00001));
        EXPECT(air.number_density(2)==approx(air.molar_fraction(2)*1*0.0002504,0.00001));
    }
};

int main( int argc, char * argv[] )
{
    return lest::run( specification, argc, argv );
}