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Layers CC

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This commit is contained in:
hrocho 2019-10-22 19:50:34 +02:00
parent f6a3cb3993
commit 345495af29
3 changed files with 41 additions and 63 deletions
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12
structures.cpp
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@ -62,16 +62,6 @@ void Material::calculate(){
} }
} }
Layers& Layers::operator=(const Layers& other){
materials.clear();
for(auto&e : other.get_materials()){
materials.push_back(e);
}
return *this;
}
void Layers::add(Material m){ void Layers::add(Material m){
materials.push_back(m); materials.push_back(m);
} }
@ -81,7 +71,7 @@ Layers operator+(const Layers &a, const Layers&b){
for(auto &e:a.materials){ for(auto &e:a.materials){
res.add(e); res.add(e);
} }
for(auto &e:b.materials){ for(auto &e:b.materials){
res.add(e); res.add(e);
} }

35
structures.h
View File

@ -44,7 +44,7 @@ namespace catima{
}; };
bool operator==(const Projectile &a, const Projectile&b); bool operator==(const Projectile &a, const Projectile&b);
/** /**
* Target class is used to store constituents of the Material class * Target class is used to store constituents of the Material class
* its just to hold A,Z data for individual atoms. * its just to hold A,Z data for individual atoms.
@ -58,7 +58,7 @@ namespace catima{
/** /**
* Material * Material
* class to store Material information * class to store Material information
* This class defines the material with which projectile will interact. * This class defines the material with which projectile will interact.
* The class store nuclei constituents, density, thickness etc. * The class store nuclei constituents, density, thickness etc.
*/ */
class Material{ class Material{
@ -92,20 +92,20 @@ namespace catima{
* \endcode * \endcode
*/ */
Material(std::initializer_list<std::array<double,3>>list,double _density=0.0, double ipot = 0.0, double mass=0.0); Material(std::initializer_list<std::array<double,3>>list,double _density=0.0, double ipot = 0.0, double mass=0.0);
/** /**
* calculates internal variables if needed * calculates internal variables if needed
*/ */
void calculate(); void calculate();
/** /**
* add atom with mass number _a and proton number _z to the Material * add atom with mass number _a and proton number _z to the Material
* @param _a - mass number of the atom, is 0 the atomic weight of element _z is taken * @param _a - mass number of the atom, is 0 the atomic weight of element _z is taken
* @param _z - proton number of the atom * @param _z - proton number of the atom
* @param _stn - stoichiomatric number * @param _stn - stoichiomatric number
*/ */
void add_element(double _a, int _z, double _stn); void add_element(double _a, int _z, double _stn);
/** /**
* returns i-th element of the Material as a std::pair of Target and corresponding stoichiometric number * returns i-th element of the Material as a std::pair of Target and corresponding stoichiometric number
* @param i - index of element to return * @param i - index of element to return
@ -139,7 +139,7 @@ namespace catima{
* sets molar mass of the Material * sets molar mass of the Material
*/ */
Material& M(double mass){molar_mass=mass; return *this;} Material& M(double mass){molar_mass=mass; return *this;}
/** /**
* @return returns density in g/cm^3 * @return returns density in g/cm^3
*/ */
@ -149,7 +149,7 @@ namespace catima{
* sets density in g/cm^3 * sets density in g/cm^3
*/ */
Material& density(double val){rho = val;return *this;}; Material& density(double val){rho = val;return *this;};
/** /**
* @return returns thickness in g/cm^2 * @return returns thickness in g/cm^2
*/ */
@ -169,7 +169,7 @@ namespace catima{
* set the mean ionization potential, if non elemental I should be used * set the mean ionization potential, if non elemental I should be used
*/ */
Material& I(double val){i_potential = val;return *this;}; Material& I(double val){i_potential = val;return *this;};
/** /**
* 0 if default elemental potential is used * 0 if default elemental potential is used
* @return returns ionisation potential in ev * @return returns ionisation potential in ev
@ -187,7 +187,7 @@ namespace catima{
* return number density of atoms of i-th element in 10^23 units * return number density of atoms of i-th element in 10^23 units
*/ */
double number_density(int i)const{ double number_density(int i)const{
if(i>=atoms.size())return 0.0; if(i>=atoms.size())return 0.0;
return number_density()*molar_fraction(i); return number_density()*molar_fraction(i);
} }
@ -227,14 +227,14 @@ namespace catima{
double sigma_E=0.0; double sigma_E=0.0;
double sigma_a=0.0; double sigma_a=0.0;
double sigma_r=0.0; double sigma_r=0.0;
double tof=0.0; double tof=0.0;
#ifdef REACTIONS #ifdef REACTIONS
double sp = 1.0; double sp = 1.0;
#endif #endif
}; };
/** /**
* structure to store results for calculation for multiple layers of materials, ie in catima::Layers * structure to store results for calculation for multiple layers of materials, ie in catima::Layers
*/ */
struct MultiResult{ struct MultiResult{
std::vector<Result> results; std::vector<Result> results;
@ -247,12 +247,11 @@ namespace catima{
* class to store multiple material layers * class to store multiple material layers
*/ */
class Layers{ class Layers{
private: private:
std::vector<Material> materials; std::vector<Material> materials;
public: public:
Layers(){}; Layers() = default;
Layers& operator=(const Layers& other);
/** /**
* @return reference to the std::vector of stored Materials * @return reference to the std::vector of stored Materials
@ -261,7 +260,7 @@ namespace catima{
/** /**
* add Material m to the Layers * add Material m to the Layers
* @param m Material * @param m Material
*/ */
void add(Material m); void add(Material m);
@ -269,11 +268,11 @@ namespace catima{
* @return number of stored Materials * @return number of stored Materials
*/ */
int num()const{return materials.size();}; int num()const{return materials.size();};
Material& operator[](int i){return materials[i];} Material& operator[](int i){return materials[i];}
friend Layers operator+(const Layers &a, const Layers&b); friend Layers operator+(const Layers &a, const Layers&b);
friend Layers operator+(const Layers &a, const Material&b); friend Layers operator+(const Layers &a, const Material&b);
}; };
} }

57
tests/test_structures.cpp
View File

@ -7,31 +7,20 @@ using namespace std;
#include "catima/catima.h" #include "catima/catima.h"
#include "catima/material_database.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;
}
}
TEST_CASE("atima material basic tests"){ TEST_CASE("atima material basic tests"){
catima::Material water({ catima::Material water({
{1,1,2}, {1,1,2},
{16,8,1} {16,8,1}
}); });
catima::Material water2; catima::Material water2;
water2.add_element(1,1,2); water2.add_element(1,1,2);
water2.add_element(16,8,1); water2.add_element(16,8,1);
catima::Material graphite; catima::Material graphite;
graphite.add_element(12,6,1); graphite.add_element(12,6,1);
graphite.density(1.8); graphite.density(1.8);
CHECK(graphite.ncomponents()==1); CHECK(graphite.ncomponents()==1);
CHECK(water.ncomponents()==2); CHECK(water.ncomponents()==2);
@ -39,13 +28,13 @@ bool rcompare(double a, double b,double eps){
CHECK(water.ncomponents()==2); CHECK(water.ncomponents()==2);
CHECK(water.M()==18); CHECK(water.M()==18);
CHECK(water2.ncomponents()==2); CHECK(water2.ncomponents()==2);
CHECK(water2.M()==18); CHECK(water2.M()==18);
CHECK(graphite.I()==0.0); CHECK(graphite.I()==0.0);
graphite.add_element(18,40,1); graphite.add_element(18,40,1);
CHECK(graphite.ncomponents()==2); CHECK(graphite.ncomponents()==2);
CHECK_FALSE(graphite.M()==approx(12,0.1)); CHECK_FALSE(graphite.M()==approx(12,0.1));
CHECK(water==water2); CHECK(water==water2);
CHECK(!(water==graphite)); CHECK(!(water==graphite));
water.density(1.0); water.density(1.0);
@ -84,7 +73,7 @@ bool rcompare(double a, double b,double eps){
water2.add_element(1,1,2); water2.add_element(1,1,2);
water2.add_element(16,8,1); water2.add_element(16,8,1);
water2.density(1.0).thickness(2.0); water2.density(1.0).thickness(2.0);
catima::Material graphite; catima::Material graphite;
graphite.add_element(12,6,1); graphite.add_element(12,6,1);
graphite.density(1.8).thickness(1.0); graphite.density(1.8).thickness(1.0);
@ -119,7 +108,7 @@ bool rcompare(double a, double b,double eps){
catima::Layers focal_material = detector1 + detector2; catima::Layers focal_material = detector1 + detector2;
CHECK(focal_material.num() == 8); CHECK(focal_material.num() == 8);
} }
TEST_CASE("basic projectile tests"){ TEST_CASE("basic projectile tests"){
catima::Projectile p{12,6,6,1000}; catima::Projectile p{12,6,6,1000};
@ -127,7 +116,7 @@ bool rcompare(double a, double b,double eps){
CHECK(p.Z==6); CHECK(p.Z==6);
CHECK(p.Q==6); CHECK(p.Q==6);
CHECK(p.T==1000); CHECK(p.T==1000);
catima::Projectile p2(12,6); catima::Projectile p2(12,6);
CHECK(p.A==12); CHECK(p.A==12);
CHECK(p2.Z==6); CHECK(p2.Z==6);
@ -139,7 +128,7 @@ bool rcompare(double a, double b,double eps){
CHECK(p2.T==500); CHECK(p2.T==500);
catima::Projectile p3(12,6,5); catima::Projectile p3(12,6,5);
CHECK(p==p2); CHECK(p==p2);
CHECK( !(p==p3)); CHECK( !(p==p3));
} }
@ -153,12 +142,12 @@ bool rcompare(double a, double b,double eps){
CHECK(c1==c2); CHECK(c1==c2);
CHECK( !(c1==c3)); CHECK( !(c1==c3));
CHECK(c1==c4); CHECK(c1==c4);
c4.z_effective = catima::z_eff_type::global; c4.z_effective = catima::z_eff_type::global;
CHECK(!(c1==c4)); CHECK(!(c1==c4));
auto c5 = c4; auto c5 = c4;
CHECK(c4==c5); CHECK(c4==c5);
c4.z_effective = catima::z_eff_type::hubert; c4.z_effective = catima::z_eff_type::hubert;
CHECK(!(c4==c5) ); CHECK(!(c4==c5) );
CHECK(!(c4==c1)); CHECK(!(c4==c1));
@ -184,7 +173,7 @@ bool rcompare(double a, double b,double eps){
CHECK(mat5.get_element(0).Z==6); CHECK(mat5.get_element(0).Z==6);
CHECK(mat5.get_element(1).A==16.0); CHECK(mat5.get_element(1).A==16.0);
CHECK(mat5.get_element(1).stn==2); CHECK(mat5.get_element(1).stn==2);
catima::Material mat6; catima::Material mat6;
mat6 = mat5; mat6 = mat5;
CHECK(mat5==mat6); CHECK(mat5==mat6);
@ -194,8 +183,8 @@ bool rcompare(double a, double b,double eps){
CHECK(mat5.get_element(1).A==mat6.get_element(1).A); CHECK(mat5.get_element(1).A==mat6.get_element(1).A);
mat5.add_element(12,6,1); mat5.add_element(12,6,1);
CHECK(mat5.ncomponents()==mat6.ncomponents()+1); CHECK(mat5.ncomponents()==mat6.ncomponents()+1);
// constructor with custom Ipot // constructor with custom Ipot
catima::Material water1({ catima::Material water1({
{1,1,2}, {1,1,2},
{16,8,1} {16,8,1}
@ -207,10 +196,10 @@ bool rcompare(double a, double b,double eps){
CHECK(water1.ncomponents()==2); CHECK(water1.ncomponents()==2);
CHECK(water2.ncomponents()==2); CHECK(water2.ncomponents()==2);
CHECK(water1.density()==1.0); CHECK(water1.density()==1.0);
CHECK(water2.density()==1.0); CHECK(water2.density()==1.0);
CHECK(water1.I()==0.0); CHECK(water1.I()==0.0);
CHECK(water2.I()==78.0); CHECK(water2.I()==78.0);
CHECK_FALSE(water1==water2); CHECK_FALSE(water1==water2);
} }
TEST_CASE("fraction vs stn init"){ TEST_CASE("fraction vs stn init"){
@ -286,7 +275,7 @@ bool rcompare(double a, double b,double eps){
c.thickness_cm(2.0); c.thickness_cm(2.0);
CHECK(c.number_density()==approx(1.7662,0.01)); CHECK(c.number_density()==approx(1.7662,0.01));
CHECK(c.number_density_cm2()==approx(2.0*1.7662,0.01)); CHECK(c.number_density_cm2()==approx(2.0*1.7662,0.01));
water.thickness_cm(1.0); water.thickness_cm(1.0);
CHECK(water.number_density()==approx(0.3336,0.001)); CHECK(water.number_density()==approx(0.3336,0.001));
CHECK(water.number_density_cm2()==approx(0.3336,0.001)); CHECK(water.number_density_cm2()==approx(0.3336,0.001));
@ -296,7 +285,7 @@ bool rcompare(double a, double b,double eps){
CHECK(water.number_density_cm2(1)==approx(0.3336,0.001)); CHECK(water.number_density_cm2(1)==approx(0.3336,0.001));
water.thickness_cm(3.0); water.thickness_cm(3.0);
CHECK(water.number_density_cm2()==approx(3.0*0.3336,0.001)); CHECK(water.number_density_cm2()==approx(3.0*0.3336,0.001));
air.thickness_cm(1.0); air.thickness_cm(1.0);
CHECK(air.number_density(0)==approx(air.molar_fraction(0)*2*0.0002504,0.00001)); CHECK(air.number_density(0)==approx(air.molar_fraction(0)*2*0.0002504,0.00001));
CHECK(air.number_density(1)==approx(air.molar_fraction(1)*2*0.0002504,0.00001)); CHECK(air.number_density(1)==approx(air.molar_fraction(1)*2*0.0002504,0.00001));