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Merge pull request #41 from hrosiak/reactions3

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Reactions3
This commit is contained in:
Andrej Prochazka 2018-09-14 15:10:29 +02:00 committed by GitHub
parent 4e1dd18a49 53bbcbd446
commit 9254e0d77a
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GPG Key ID: 4AEE18F83AFDEB23
7 changed files with 76 additions and 15 deletions
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6
CMakeLists.txt
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@ -3,7 +3,7 @@ project(catima)
############ options #############
#option(THREADS "Use multi-threading" ON)
option(CATIMA_PYTHON "compile the Catima python module(requires numpy and cython installed)" OFF)
option(PYTHON_MODULE "compile the Catima python module(requires numpy and cython installed)" OFF)
option(TESTS "build tests" OFF)
option(EXAMPLES "build examples" ON)
option(GSL_INTEGRATION "use GSL integration" ON)
@ -110,7 +110,7 @@ MESSAGE( STATUS "CMAKE_CXX_COMPILER: " ${CMAKE_CXX_COMPILER} )
MESSAGE( STATUS "CMAKE_CXX_FLAGS: " ${CMAKE_CXX_FLAGS_RELEASE} )
######## for python module
if(CATIMA_PYTHON)
if(PYTHON_MODULE)
if(NOT PYTHONINTERP_FOUND)
MESSAGE(SEND_ERROR "Python is required to build nurex python modules")
endif(NOT PYTHONINTERP_FOUND)
@ -139,7 +139,7 @@ if(CATIMA_PYTHON)
add_custom_command(TARGET target_python
COMMAND ${PYTHON_EXECUTABLE} ${PROJECT_BINARY_DIR}/setup.py build_ext ${CYTHON_DEFINES} -i
)
endif(CATIMA_PYTHON )
endif(PYTHON_MODULE )
########## Sub Directories ###########
if(EXAMPLES)

2
README.md
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@ -26,7 +26,7 @@ compile options, enable or disable with cmake:
> cmake ../ -D[OPTION]
available options:
* CATIMA_PYTHON - enable/disable building of the python bindigs, cython and numpy are required to build the catima python module, default OFF
* PYTHON_MODULE - enable/disable building of the python bindigs, cython and numpy are required to build the catima python module, default OFF
* TESTS - build tests
* EXAMPLES - build examples
* DOCS - prepare doxygen documentation (after cmake, __make docs__ needs to be executed)

4
examples/makefile
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@ -1,8 +1,8 @@
PROGRAMS=simple dedx example2 materials ls_coefficients
PROGRAMS=simple dedx example2 materials ls_coefficients reactions
GCC=g++ -Wall -std=c++14
INCDIR=-I$(CATIMAPATH)/include
LIBDIR=-L$(CATIMAPATH)
LIBDIR=-L$(CATIMAPATH)/lib
LIBS=-lcatima

27
examples/reactions.cpp Normal file
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@ -0,0 +1,27 @@
#include "catima/catima.h"
#include "catima/reactions.h"
#include <iostream>
using std::cout;
using std::endl;
int main(){
catima::Material target = catima::get_material(4);
target.thickness(1.0); // thickness in g/cm2
catima::Projectile p(12,6); // define projectile, ie 12C
double cs = 45;
double rcsi = 870;
double rcso = 860;
cout<<"C->Be\n";
cout<<"t(g/cm2)\t rate"<<endl;
for(double t=0.25; t<=5;t+=0.25){
target.thickness(t);
double r = production_rate(45,rcsi, rcso, target);
cout<<t<<"\t"<<r<<endl;
}
return 0;
}

11
reactions.cpp
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@ -56,6 +56,16 @@ double nonreaction_rate(Projectile &projectile, const Material &target, const Co
return exp(-cs*0.0001);
}
double production_rate(double cs, double rcs_projectile, double rcs_product, const Material &target, const Config &c){
double t = target.number_density_cm2();
double res = 0.0;
if( std::abs(rcs_product - rcs_projectile)<5.0){
res = 0.0001*cs*t*(exp(-0.0001*rcs_product*t));
}
else{
res = cs*(exp(-0.0001*rcs_projectile*t) - exp(-0.0001*rcs_product*t))/(rcs_product-rcs_projectile);
}
return res;
}
#ifndef NUREX
@ -84,3 +94,4 @@ double SigmaR_Kox(int Ap, int Zp, double E, int At, int Zt){
}
#endif
} //end of catima namespace

9
reactions.h
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@ -22,6 +22,7 @@
#include "catima/config.h"
#include "catima/integrator.h"
#include <cmath>
#endif
namespace catima{
@ -49,17 +50,14 @@ namespace catima{
double i = ii.integrate(f,0,t);
return 1.0 - std::exp(-i*0.0001);
}
double nonreaction_rate(Projectile &projectile, const Material &target, const Config &c=default_config);
}
#else
double production_rate(double cs, double rcs_projectile, double rcs_product, const Material &target, const Config &c=default_config);
#ifndef NUREX
double SigmaR_Kox(int Ap, int Zp, double E, int At, int Zt);
inline double p_from_T(double T, double M=1.0){
return M*sqrt(T*T + 2*T*atomic_mass_unit);
}
inline double Ecm_from_T_relativistic(double T, double Ap, double At){
double mp = Ap*atomic_mass_unit;
double mt = At*atomic_mass_unit;
@ -72,3 +70,4 @@ inline double Ecm_from_T_relativistic(double T, double Ap, double At){
#endif //NUREX
#endif
} // end of catime namespace

24
tests/test_reaction.cpp
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@ -48,7 +48,31 @@ const lest::test specification[] =
EXPECT( (r > 0 && r<1.0) );
EXPECT( (r2 > 0 && r2<1.0) );
EXPECT( r2>r );
},
CASE("production"){
catima::Projectile proj{12,6,6,870};
auto c = catima::get_material(6);
c.thickness(0.1);
double r,r2;
double cs = 70;
double rcsi = 870;
double rcso = 850;
r = 0.0001*cs*c.number_density_cm2();
r2 = catima::production_rate(cs,rcsi,rcso, c);
EXPECT(r==approx(r2).R(0.01));
r2 = catima::production_rate(cs,2,1, c);
EXPECT(r==approx(r2).R(0.001));
r = catima::production_rate(cs,870,870, c);
r2 = catima::production_rate(cs,870,860, c);
EXPECT(r==approx(r2).R(0.001));
c.thickness(2.0);
r = catima::production_rate(cs,870,870, c);
r2 = catima::production_rate(cs,870,860, c);
EXPECT(r==approx(r2).R(0.001));
}
};