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# Object files
*.o
*.ko
*.obj
*.elf
# Precompiled Headers
*.gch
*.pch
# Libraries
*.lib
*.a
*.la
*.lo
# Shared objects (inc. Windows DLLs)
*.dll
*.so
*.so.*
*.dylib
# Executables
*.exe
*.out
*.app
*.i*86
*.x86_64
*.hex
# Debug files
*.dSYM/
*.su
ana/*
benchmark/*
build/*

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cmake_minimum_required(VERSION 3.2.0)
project(catima)
############ options #############
#option(THREADS "Use multi-threading" ON)
option(CATIMA_PYTHON "compile the Catima python module(requires numpy and cython installed)" OFF)
option(TESTS "build tests" OFF)
option(EXAMPLES "build examples" ON)
option(GENERATE_DATA "make data tables generator" OFF)
option(THIN_TARGET_APPROXIMATION "thin target approximation" ON)
option(DOCS "build documentation (requires doxygen)" OFF)
######## build type ############
#set(CMAKE_BUILD_TYPE Release)
set(CMAKE_BUILD_TYPE Debug)
set(CMAKE_CXX_FLAGS_DEBUG "${CMAKE_CXX_FLAGS_DEBUG} -g")
################################
######### compiler flags ###########
set(CMAKE_CXX_EXTENSIONS OFF)
set(CMAKE_CXX_STANDARD 14)
set(CMAKE_CXX_STANDARD_REQUIRED ON)
if ("${CMAKE_CXX_COMPILER_ID}" STREQUAL "GNU" OR
"${CMAKE_CXX_COMPILER_ID}" STREQUAL "Clang")
set(warnings "-Wall -Wextra -Werror")
endif()
############# Requirements ##################
find_package(GSL REQUIRED)
#if(THREADS)
# find_package(Threads REQUIRED)
# set (EXTRA_LIBS ${EXTRA_LIBS} ${CMAKE_THREAD_LIBS_INIT})
# set (USE_THREADS ON)
# MESSAGE(STATUS "Nurex will use threads")
#endif(THREADS)
find_package(PythonInterp)
if(PYTHONINTERP_FOUND)
message("-- Python found: ${PYTHON_EXECUTABLE}")
endif()
configure_file(
"${PROJECT_SOURCE_DIR}/build_config.in"
"${PROJECT_BINARY_DIR}/include/catima/build_config.h"
)
configure_file("${PROJECT_SOURCE_DIR}/init.sh.in"
"${PROJECT_BINARY_DIR}/init.sh"
)
############### main build ###########################
file(GLOB SOURCES *.cpp)
file(GLOB HEADERS *.h)
add_library(catima SHARED ${SOURCES})
add_library(catima_static STATIC ${SOURCES})
set_target_properties(catima_static PROPERTIES OUTPUT_NAME catima POSITION_INDEPENDENT_CODE ON)
target_link_libraries(catima ${EXTRA_LIBS} ${GSL_LIBRARIES} )
FILE(COPY ${HEADERS} DESTINATION ${PROJECT_BINARY_DIR}/include/catima)
# the compiler used for C++ files
MESSAGE( STATUS "CMAKE_CXX_COMPILER: " ${CMAKE_CXX_COMPILER} )
# the compiler flags for compiling C++ sources
MESSAGE( STATUS "CMAKE_CXX_FLAGS: " ${CMAKE_CXX_FLAGS_RELEASE} )
######## for python module
if(CATIMA_PYTHON)
if(NOT PYTHONINTERP_FOUND)
MESSAGE(SEND_ERROR "Python is required to build nurex python modules")
endif(NOT PYTHONINTERP_FOUND)
find_program(CYTHON_EXECUTABLE
NAMES cython cython2 cython3 cython.bat
DOC "path to the cython executable"
)
if(NOT CYTHON_EXECUTABLE)
MESSAGE(SEND_ERROR "Cython not found, it is required to build nurex python modules")
endif(NOT CYTHON_EXECUTABLE)
MESSAGE(STATUS "Cython found: " ${CYTHON_EXECUTABLE})
### build libraries string
foreach(entry ${EXTRA_LIBS} ${GSL_LIBRARIES} catima)
LIST (APPEND EXTRA_PYTHON_LIBS \"${entry}\")
endforeach(entry ${EXTRA_LIBS} ${GSL_LIBRARIES} catima)
string (REPLACE ";" "," EXTRA_PYTHON_LIBS "${EXTRA_PYTHON_LIBS}")
# if(THREADS)
# set (CYTHON_DEFINES "-DUSE_THREADS=1")
# endif(THREADS)
### insert libraries string and create setup.py
FILE(COPY catimac.pxd catima.pyx DESTINATION ${PROJECT_BINARY_DIR})
set(CATIMA_LIB ${CMAKE_SHARED_LIBRARY_PREFIX}catima${CMAKE_SHARED_LIBRARY_SUFFIX})
configure_file(${CMAKE_CURRENT_SOURCE_DIR}/setup.py.in ${PROJECT_BINARY_DIR}/setup.py)
add_custom_target(target_python ALL DEPENDS catima)
add_custom_command(TARGET target_python
COMMAND ${PYTHON_EXECUTABLE} ${PROJECT_BINARY_DIR}/setup.py build_ext ${CYTHON_DEFINES} -i
)
endif(CATIMA_PYTHON )
########## Sub Directories ###########
include_directories(${CMAKE_CURRENT_SOURCE_DIR})
include_directories("${PROJECT_BINARY_DIR}/include")
if(EXAMPLES)
file(GLOB EXAMPLES examples/*.cpp)
FILE(COPY ${EXAMPLES} DESTINATION ${PROJECT_BINARY_DIR}/examples)
FILE(COPY examples/makefile DESTINATION ${PROJECT_BINARY_DIR}/examples)
#add_subdirectory("examples")
endif(EXAMPLES)
if(TESTS)
add_subdirectory("tests")
endif(TESTS)
########## data generator ########
if(GENERATE_DATA)
add_executable(generate_ls_coeff utils/generator.cpp)
target_link_libraries(generate_ls_coeff catima)
#add_custom_command(
# OUTPUT ${CMAKE_CURRENT_BINARY_DIR/include/generated_LS_coeff.h}
# COMMAND
#)
endif(GENERATE_DATA)
####### DOCS generation #########
if(DOCS)
find_package(Doxygen REQUIRED)
if(DOXYGEN_FOUND)
configure_file(${CMAKE_CURRENT_SOURCE_DIR}/doxygen.in ${CMAKE_CURRENT_BINARY_DIR}/Doxyfile @ONLY)
add_custom_target(docs
COMMAND ${DOXYGEN_EXECUTABLE} ${CMAKE_CURRENT_BINARY_DIR}/Doxyfile COMMENT "Generating API documentation with Doxygen" VERBATIM )
endif(DOXYGEN_FOUND)
endif(DOCS)
####### install part #######
FILE(GLOB headers "*.h")
install (TARGETS catima catima_static
LIBRARY DESTINATION lib
ARCHIVE DESTINATION lib)
install (FILES ${headers} DESTINATION include/catima)
###### packaging #######
set(CPACK_PACKAGE_NAME "catima")
set(CPACK_PACKAGE_VENDOR "A. Prochazka")
set(CPACK_PACKAGE_DESCRIPTION_SUMMARY "")
set(CPACK_PACKAGE_VERSION "1.0.0")
set(CPACK_PACKAGE_VERSION_MAJOR "1")
set(CPACK_PACKAGE_VERSION_MINOR "0")
set(CPACK_PACKAGE_VERSION_PATCH "0")
set(CPACK_PACKAGE_INSTALL_DIRECTORY "catima")
include(CPack)

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Credits and References
======================
Physics references:
ATIMA
------
https://web-docs.gsi.de/~weick/atima/
B.A.Wealer et. al, Energy loss of relativistic heavy ions im matter, NIM B187(2002)

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CATima
=======
C++ library for caclulalaton of energy loss, range, angular scattering and time of flight of the particle passing through matter.
The library is based on physics used in the ATIMA code,however its not 100% copy of ATIMA physics.
see CREDITS for more details.
Installation
------------
CMake is used to build the library. For default build use:
```
> mkdir build
> cd build
> cmake ../
> make
```
cmake options
-------------
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
* TESTS - build tests
* EXAMPLES - build examples
* DOCS - prepare doxygen documentation (after cmake, __make docs__ needs to be executed)
ie:
> cmake -DCATIMA_PYTHON=ON -DEXAMPLES=ON ../
after the compilation the libraries and headers must be either installed system-wide by make install or PATH and LD_LIBRARY_PATH must be adjusted to point to headers and library files.
The default install path can be change, ie: cmake -DCMAKE_INSTALL_PREFIX=/opt/catima
the option to system-wide installation is to adjust library path and include paths.
This can be done sourcing the init.sh file, which is generated in the build directory:
> source init.sh

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#ifndef BUILD_CONFIG_H
#define BUILD_CONFIG_H
#cmakedefine THIN_TARGET_APPROXIMATION
#endif

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#include <math.h>
#include <algorithm>
#include <cassert>
#include "catima/calculations.h"
#include "catima/constants.h"
#include "catima/data_ionisation_potential.h"
#include "catima/data_atima.h"
#include "catima/generated_LS_coeff.h"
#include "catima/nucdata.h"
#include "catima/storage.h"
namespace catima{
double dedx_e(Projectile &p, const Target &t, const Config &c){
double se = -1;
if(p.T<=10){
se = sezi_dedx_e(p,t);
}
else if(p.T>10 && p.T<30){
double factor = 0.05 * ( p.T - 10.0 );
se = (1-factor)*sezi_dedx_e(p,t) + factor*bethek_dedx_e(p,t);
}
else {
se = bethek_dedx_e(p,t);
}
return se;
}
double dedx(Projectile &p, const Target &t, const Config &c){
return dedx_e(p,t) + dedx_n(p,t);
}
double reduced_energy_loss_unit(const Projectile &p, const Target &t){
double zpowers = pow(p.Z,0.23)+pow(t.Z,0.23);
double asum = p.A + t.A;
return 32.53*t.A*1000*p.T*p.A/(p.Z*t.Z*asum*zpowers); //projectile energy is converted from MeV/u to keV
}
double dedx_n(const Projectile &p, const Target &t){
double zpowers = pow(p.Z,0.23)+pow(t.Z,0.23);
double asum = p.A + t.A;
double epsilon = 32.53*t.A*1000*p.T*p.A/(p.Z*t.Z*asum*zpowers); //projectile energy is converted from MeV/u to keV
double sn=0;
if(epsilon<=30){
sn = log(1+(1.1383*epsilon))/ (2*(epsilon + 0.01321*pow(epsilon,0.21226) + 0.19593*pow(epsilon,0.5)));
}
else{
sn = log(epsilon)/(2*epsilon);
}
sn = 100*8.4621*p.Z*t.Z*p.A*sn*Avogadro/(asum*zpowers*t.A);
return sn;
}
double bethek_dedx_e(Projectile &p, const Target &t, const Config &c){
assert(t.Z>0 && p.Z>0);
assert(t.A>0 && p.A>0);
if(p.T==0)return 0.0;
double gamma=1.0 + p.T/atomic_mass_unit;
double beta2=1.0-1.0/(gamma*gamma);
assert(beta2>=0);
double beta = sqrt(beta2);
assert(beta>=0 && beta<1);
//double zeta = 1.0-exp(-130.0*beta/pow(p.Z,2.0/3.0));
//assert(zeta>=0);
//double zp_eff = p.Z*zeta;
double zp_eff = z_effective(p,t,c);
assert(zp_eff>=0);
double Ipot = ipot(t.Z);
assert(Ipot>0);
double f1 = dedx_constant*pow(zp_eff,2.0)*t.Z/(beta2*t.A);
assert(f1>=0);
double f2 = log(2.0*electron_mass*1000000*beta2/Ipot);
double eta = beta*gamma;
if(!(c.dedx&corrections::no_shell_correction) && eta>=0.13){ //shell corrections
double c = (+0.422377*pow(eta,-2)
+0.0304043*pow(eta,-4)
-0.00038106*pow(eta,-6))*1e-6*pow(Ipot,2)
+(+3.858019*pow(eta,-2)
-0.1667989*(pow(eta,-4))
+0.00157955*(pow(eta,-6)))*1.0e-9*pow(Ipot,3);
f2 = f2 -c/t.Z;
}
f2+=2*log(gamma) -beta2;
double barkas=1.0;
if(!(c.dedx&corrections::no_barkas)){
barkas = bethek_barkas(zp_eff,eta,t.Z);
}
double delta = bethek_density_effect(beta, t.Z);
double LS = 0.0;
if(!(c.dedx&corrections::no_lindhard)){
//double LS = bethek_lindhard(p);
LS = precalculated_lindhard(p);
}
double result = (f2)*barkas + LS - delta/2.;
result *=f1;
return result;
}
double bethek_barkas(double zp_eff,double eta, double zt){
double V2FVA[4]={0.33,0.30,0.26,0.23};
double VA[4]={1.,2.,3.,4.};
double v1 = eta/(fine_structure*sqrt(zt));
double v2fv;
if(v1 >= 4){
v2fv = 0.45 / sqrt(v1);
}
else if((v1 >= 1) && v1 < 4){//VALUES FROM THE JACKSON MC CARTHY FUNCTION //PHYS. REV. B 6 4131 P4136
int i;
for(i=1; i<4; i++){
if( VA[i] >= v1) break;
}
v2fv = V2FVA[i-1]+(v1-VA[i-1])*(V2FVA[i]-V2FVA[i-1])/(VA[i]-VA[i-1]);
}
else{
v2fv=0;
}
return 1.0+2.0 * zp_eff * v2fv /(v1*v1*sqrt(zt));
}
double bethek_density_effect(double beta, int zt){
double gamma = 1/sqrt(1-(beta*beta));
double x = log(beta * gamma) / 2.302585;
int i = zt-1;
double del = 0;
if (x < density_effect::x0[i] ){
if(density_effect::del_0[i] > 0.)del = density_effect::del_0[i] * pow(10.0,(2.*(x-density_effect::x0[i])));
}
else {
del = 4.6052 * x - density_effect::c[i];
if ( density_effect::x0[i]<= x && x <= density_effect::x1[i] ) del += density_effect::a[i] * pow((density_effect::x1[i] - x),density_effect::m[i]);
}
return del;
}
double bethek_lindhard(const Projectile &p){
const double compton=3.05573356675e-3; // 1.18 fm / Compton wavelength
double rho = exp(log(p.A)/3.0)*compton;
double gamma=1.0 + p.T/atomic_mass_unit;
double beta2=1.0-1.0/(gamma*gamma);
double beta = sqrt(beta2);
double eta = p.Z*fine_structure/beta;
double beta_gamma_R = beta*gamma*rho;
double sum = 0;
int n=1;
if(gamma < 10.0/rho){
double dk[3];
double dmk = 0;
double dkm1 = 0;
while(n<100){
double k0 = n;
int max = (n==1)?3:2;
for(int i=0;i<max;i++){
double k;
if(i==0)k=k0;
if(i==1)k=-k0 - 1.0;
if(i==2)k=-k0;
double l = (k>0)?k:-k-1.0;
double signk = (k>0)?1:((k<0)?-1:0);
double sk = sqrt(k*k-fine_structure*fine_structure*p.Z*p.Z);
std::complex<double> cexir_n (k,-eta/gamma);
std::complex<double> cexir_den (sk,-eta);
std::complex<double> cexir = std::sqrt(cexir_n/cexir_den);
std::complex<double> csketa (sk + 1.0, eta);
std::complex<double> cpiske(0.0,(M_PI*(l-sk)/2.0) - lngamma(csketa).imag());
std::complex<double> cedr = cexir*std::exp(cpiske);
double H=0;
//std::complex<double> ceds(0.0,0.0);
// finite struct part
std::complex<double> cmsketa (-sk + 1.0, eta);
std::complex<double> cexis_den (-sk,-eta);
std::complex<double> cexis = std::sqrt(cexir_n/cexis_den);
std::complex<double> cpimske(0.0,(M_PI*(l+sk)/2.0) - lngamma(cmsketa).imag());
std::complex<double> ceds = cexir*std::exp(cpimske);
std::complex<double> cmbeta_gamma_R(0,-beta_gamma_R);
std::complex<double> c2beta_gamma_R(0,2.0*beta_gamma_R);
std::complex<double> c2sk_1 (2.0*sk+1,0);
std::complex<double> cm2sk_1 (-2.0*sk+1,0);
std::complex<double> clambda_r = cexir*std::exp(cmbeta_gamma_R)*hyperg(csketa,c2sk_1,c2beta_gamma_R);
std::complex<double> clambda_s = cexis*std::exp(cmbeta_gamma_R)*hyperg(cmsketa,cm2sk_1,c2beta_gamma_R);
std::complex<double> cGrGs = lngamma(cm2sk_1);
double GrGs = clambda_r.imag()/clambda_s.imag();
GrGs *= exp( lngamma(csketa).real()
- lngamma(cmsketa).real()
- lngamma(c2sk_1).real()
+ cGrGs.real()
+ 2.0*sk*log(2.0*beta_gamma_R));
if(cos(cGrGs.imag()) < 1.0)GrGs*=-1;
if(fabs(GrGs)>1.0e-9){
double FrGr = sqrt((gamma-1)/(gamma+1)) * clambda_r.real()/clambda_r.imag();
double FsGs = sqrt((gamma-1)/(gamma+1)) * clambda_s.real()/clambda_s.imag();
double gz = -1.0*signk*(rho*gamma + 1.5*p.Z*fine_structure);
double z1 = -1.0*signk*p.Z;
double b0 = 1.0;
double a0 = (1.0 + 2.0*fabs(k))*b0/(rho-gz);
double a1 = 0.5*(gz+rho)*b0;
double an = a1;
double anm1 = a0;
double bnm1 = b0;
double asum = a0;
double bsum = b0;
double nn = 1.0;
while(fabs(anm1/asum)>1e-6 && fabs(anm1/asum)>1e-6){
double bn = ((rho-gz)*an + fine_structure*z1*anm1/2.0)/(2.0*nn+2.0*fabs(k)+1.0);
double anp1 = ((gz+rho)*bn - fine_structure*z1*bnm1/2.0)/(2.0*nn + 2.0);
asum += an;
bsum += bn;
nn += 1.0;
anm1 = an;
an = anp1;
bnm1 = bn;
}
double figi= (k>0) ? asum/bsum : bsum/asum;
H = (FrGr - figi)/(figi-FsGs)* GrGs;
}
else
H = 0;
dk[i] = std::arg(cedr + H*ceds);
}
if(n>1)dk[2] = dmk;
double sdm2 = sin(dk[2]-dk[1]);
double term1 = k0*(k0+1.0)*sdm2*sdm2/(eta*eta*(2.0*k0 + 1.0));
if(n>1){
double sd2 = sin(dk[0]-dkm1);
term1 += k0*(k0-1.0)*sd2*sd2/(eta*eta*(2.0*k0 - 1.0));
}
double sdd = sin(dk[0]-dk[2]);
double term2 = k0*sdd*sdd/(eta*eta*(4.0*k0*k0 - 1.0));
double term3 = term1 - 1.0/k0;
sum += term2 + term3;
n += 1;
dmk = dk[1];
dkm1 = dk[0];
}// end of while n<100
}
else{ // ultrarelativistic limit
sum = -log(beta_gamma_R) - 0.2;
}
return sum + (0.5*beta2);
}
double bethek_lindhard_X(const Projectile &p){
const double compton=3.05573356675e-3; // 1.18 fm / Compton wavelength
double rho = exp(log(p.A)/3.0)*compton;
double gamma=1.0 + p.T/atomic_mass_unit;
double beta2=1.0-1.0/(gamma*gamma);
double beta = sqrt(beta2);
double eta = p.Z*fine_structure/beta;
double beta_gamma_R = beta*gamma*rho;
double sum = 0;
int n=1;
if(1){
double dk[4];
double dmk = 0;
double dmkp1 = 0;
double dkm1 = 0;
double dkm2 = 0;
while(n<200){
double k0 = n;
//int max = (n==1)?4:2;
int max = 4;
for(int i=0;i<max;i++){
double k;
if(i==0)k=k0;
if(i==1)k=-k0 - 1.0;
if(i==2 && n==1)k=-k0;
if(i==3)k=-k0 - 2.0;
double l = (k>0)?k:-k-1.0;
double signk = (k>0)?1:((k<0)?-1:0);
double sk = sqrt(k*k-fine_structure*fine_structure*p.Z*p.Z);
std::complex<double> cexir_n (k,-eta/gamma);
std::complex<double> cexir_den (sk,-eta);
std::complex<double> cexir = std::sqrt(cexir_n/cexir_den);
std::complex<double> csketa (sk + 1.0, eta);
std::complex<double> cpiske(0.0,(M_PI*(l-sk)/2.0) - lngamma(csketa).imag());
std::complex<double> cedr = cexir*std::exp(cpiske);
double H=0;
//std::complex<double> ceds(0.0,0.0);
// finite struct part
std::complex<double> cmsketa (-sk + 1.0, eta);
std::complex<double> cexis_den (-sk,-eta);
std::complex<double> cexis = std::sqrt(cexir_n/cexis_den);
std::complex<double> cpimske(0.0,(M_PI*(l+sk)/2.0) - lngamma(cmsketa).imag());
std::complex<double> ceds = cexir*std::exp(cpimske);
std::complex<double> cmbeta_gamma_R(0,-beta_gamma_R);
std::complex<double> c2beta_gamma_R(0,2.0*beta_gamma_R);
std::complex<double> c2sk_1 (2.0*sk+1,0);
std::complex<double> cm2sk_1 (-2.0*sk+1,0);
std::complex<double> clambda_r = cexir*std::exp(cmbeta_gamma_R)*hyperg(csketa,c2sk_1,c2beta_gamma_R);
std::complex<double> clambda_s = cexis*std::exp(cmbeta_gamma_R)*hyperg(cmsketa,cm2sk_1,c2beta_gamma_R);
std::complex<double> cGrGs = lngamma(cm2sk_1);
double GrGs = clambda_r.imag()/clambda_s.imag();
GrGs *= exp( lngamma(csketa).real()
- lngamma(cmsketa).real()
- lngamma(c2sk_1).real()
+ cGrGs.real()
+ 2.0*sk*log(2.0*beta_gamma_R));
if(cos(cGrGs.imag()) < 1.0)GrGs*=-1;
if(fabs(GrGs)>1.0e-9){
double FrGr = sqrt((gamma-1)/(gamma+1)) * clambda_r.real()/clambda_r.imag();
double FsGs = sqrt((gamma-1)/(gamma+1)) * clambda_s.real()/clambda_s.imag();
double gz = -1.0*signk*(rho*gamma + 1.5*p.Z*fine_structure);
double z1 = -1.0*signk*p.Z;
double b0 = 1.0;
double a0 = (1.0 + 2.0*fabs(k))*b0/(rho-gz);
double a1 = 0.5*(gz+rho)*b0;
double an = a1;
double anm1 = a0;
double bnm1 = b0;
double asum = a0;
double bsum = b0;
double nn = 1.0;
while(fabs(anm1/asum)>1e-6 && fabs(anm1/asum)>1e-6){
double bn = ((rho-gz)*an + fine_structure*z1*anm1/2.0)/(2.0*nn+2.0*fabs(k)+1.0);
double anp1 = ((gz+rho)*bn - fine_structure*z1*bnm1/2.0)/(2.0*nn + 2.0);
asum += an;
bsum += bn;
nn += 1.0;
anm1 = an;
an = anp1;
bnm1 = bn;
}
double figi= (k>0) ? asum/bsum : bsum/asum;
H = (FrGr - figi)/(figi-FsGs)* GrGs;
}
else
H = 0;
dk[i] = std::arg(cedr + H*ceds);
}
if(n>1)dk[2] = dmk;
double strterm1p = 0;
double strterm1n = 0;
double strterm2 = 0;
double strterm3 = 0;
double eta2 = eta*eta;
double sdm2 = sin(dk[0]-dkm2);
if(n>2){
strterm1p = sdm2*sdm2*(k0-1)*(k0-2)/((2.0*k0 - 1.0)*(2.0*k0-3.0));
}
sdm2 = sin(dk[2]-dk[3]);
strterm1n = sdm2*sdm2*(-k0-1)*(-k0-2)/((-2.0*k0 - 1.0)*(-2.0*k0-3.0));
if(n>1){
double sd2 = sin(dk[0]-dmkp1);
strterm2 += (k0-1.0)*sd2*sd2/((2.0*k0 - 3.0)*(4.0*k0*k0 - 1.0));
}
double sdd = sin(dk[0]-dk[1]);
strterm3 = sdd*sdd*(k0+1.0)*((1/(4.0*k0*k0 -1.0))+(1/(4*(k0+1.0)*(k0+1.0) - 1.0)))/(2.0*k0 + 1.0);
//sum += k0*(strterm1p + strterm1n + (strterm2*2) + strterm3)/eta2;
sum += k0*(strterm1p + strterm1n + (strterm2*2) + strterm3)/eta2;
sum += - (2.0/k0);
//std::cout<<n<<" "<<strterm1p<<" "<<strterm1n<<" "<<strterm2<<" "<<strterm3<<" "<<sum<<std::endl;
n += 1;
dmk = dk[1];
dkm2 = dkm1;
dkm1 = dk[0];
dmkp1 = dk[2];
}// end of while n<100
}
else{ // ultrarelativistic limit
}
return 2*bethek_lindhard(p) - sum - beta2;
//return sum;
}
double sezi_p_se(double energy,const Target &t){
double sp = -1;
double e = 1000*energy; //e in keV/u
int i = t.Z - 1;
if(e<=25)e=25;
//double sl = (proton_stopping_coef[i][0]*pow(e,proton_stopping_coef[i][1])) + (proton_stopping_coef[i][2]*pow(e,proton_stopping_coef[i][3]));
//double sh = proton_stopping_coef[i][4]/pow(e,proton_stopping_coef[i][5]) * log( (proton_stopping_coef[i][6]/e) + (proton_stopping_coef[i][7]*e));
double sl = (proton_stopping_coef[i][0]*catima::power(e,proton_stopping_coef[i][1])) + (proton_stopping_coef[i][2]*catima::power(e,proton_stopping_coef[i][3]));
double sh = proton_stopping_coef[i][4]/catima::power(e,proton_stopping_coef[i][5]) * log( (proton_stopping_coef[i][6]/e) + (proton_stopping_coef[i][7]*e));
sp = sl*sh/(sl+sh);
e=1000*energy;
if(e<=25){
//sp *=(t.Z>6)?pow(e/25,0.45):pow(e/25,0.25);
sp *=(t.Z>6)?catima::power(e/25,0.45):catima::power(e/25,0.25);
}
return 100*sp*Avogadro/t.A;
}
double sezi_dedx_e(const Projectile &p, const Target &t){
double e=p.T*1000; // e in keV/u
double se = 0;
if(p.Z==1){
return sezi_p_se(p.T,t);
}
else if(p.Z == 2){
double a=0;
double b=0;
//double zeta = 0;
if(e<=1)e=1;
// He Zeff
b = log(e);
a = 0.2865 + b*(0.1266+ b*(-0.001429+ b*(0.02402 + b*(-0.01135 + b*0.001475))));
double heh = 1.0 - exp(-std::min(30.,a));
b = 7.6 - std::max(0., b);
a = (1.0 + (0.007 + 0.00005*t.Z)*exp(- b*b ));
heh *= a*a;
//zeta = sqrt(heh);
se = sezi_p_se(p.T,t)*heh*4.0; //scale proton stopping
if(e==1)se*= sqrt(p.T*1000.0); //vel proportional
return se;
}
else{ // heavy ion
double h1,h2,h3,h4;
double a,q,b;
double l1,l0,l;
double YRmin = 0.130; // YRmin = VR / ZP**0.67 <= 0.13 OR VR <= 1.0
double VRmin = 1.0;
double v=0;
double vfermi = atima_vfermi[(int)t.Z-1];
double yr=0;
double zeta = 0;
double se;
v = sqrt(e/25.0)/vfermi;
double v2=v*v;
double vr = (v >= 1)? v*vfermi*(1.+ 1./(5.*v2)) : 3.0*vfermi/4.0*(1.0+v2*(2.0/3.0-v2/15.0));
h1= 1./catima::power(p.Z,0.6667);
yr = std::max(YRmin,vr*h1);
yr = std::max(yr, VRmin*h1);
//-- CALCULATE ZEFF
a = -0.803*catima::power(yr,0.3) + 1.3167*catima::power(yr,0.6) + 0.38157*yr + 0.008983*yr*yr;
q = std::min(1.0, std::max(0.0 , (1.0 - exp(-std::min(a, 50.0))))); //-- Q = IONIZATION LEVEL OF THE ION AT RELATIVE VELOCITY YR
//-- IONIZATION LEVEL TO EFFECTIVE CHARGE
h1 = 1./ catima::power(p.Z,0.3333);
b = (std::min(0.43, std::max(0.32,0.12 + 0.025*p.Z)))*h1;
l0 = (.8 - q * std::min(1.2,0.6 +p.Z/30.0))*h1;
if(q < 0.2){
l1 = 0;
}
else{
if (q < std::max(0.0,0.9-0.025*p.Z)){
l1 = b*(q-0.2)/fabs(std::max(0.0,0.9-0.025*p.Z)-0.2000001);
}
else{
if(q < std::max(0.0,1.0 - 0.025*std::min(16.,p.Z))) l1 = b;
else l1 = b*(1.0 - q)/(0.025*std::min(16.,p.Z));
}
}
// calculate screening
l = std::max(l1,l0*atima_lambda_screening[(int)p.Z-1]);
h1 =4.0*l*vfermi/1.919;
zeta = q + (1./(2.*(vfermi*vfermi)))*(1. - q)* log(1. + h1*h1);
// ZP**3 EFFECT AS IN REF. 779?
a = 7.6 - std::max(0.0, log(e));
zeta = zeta*(1. + (1./(p.Z*p.Z))*(0.18 + .0015*t.Z)*exp(-a*a));
h1= 1./catima::power(p.Z,0.6667);
if (yr <= ( std::max(YRmin, VRmin*h1))){
VRmin=std::max(VRmin, YRmin/h1);
//--C ..CALCULATE VELOCITY STOPPING FOR YR < YRmin
double vmin =.5*(VRmin + sqrt(std::max(0.0,VRmin*VRmin - .8*vfermi*vfermi)));
double eee = 25.0*vmin*vmin;
double eval = 1;
if((t.Z == 6) || (((t.Z == 14) || (t.Z == 32)) && (p.Z <= 19))) eval = 0.35;
else eval = 0.5;
h1 = zeta *p.Z;
h4 = catima::power(e / eee,eval);
se = sezi_p_se(eee*0.001,t) * h1*h1*h4;
return se;
}
else {
se = sezi_p_se(p.T,t)*catima::power(zeta*p.Z,2.0);
return se;
}
return 0;
}
};
double gamma_from_T(double T){
return 1.0 + T/atomic_mass_unit;
};
double beta_from_T(double T){
double gamma = gamma_from_T(T);
return sqrt(1.0-1.0/(gamma*gamma));
}
double energy_straggling_firsov(double z1,double energy, double z2, double m2){
double gamma = gamma_from_T(energy);
double beta2=1.0-1.0/(gamma*gamma);
double factor=4.8184E-3*pow(z1+z2,8.0/3.0)/m2;
return factor*beta2/fine_structure/fine_structure;
}
double angular_scattering_variance(Projectile &p, Target &t){
if(p.T<=0)return 0.0;
double e=p.T;
double _p = sqrt(e*(e+2*atomic_mass_unit))*p.A;
double beta = _p/((e+atomic_mass_unit)*p.A);
double lr = radiation_length(t.Z,t.A);
return 198.81 * pow(p.Z,2)/(lr*pow(_p*beta,2));
}
/// radioation lengths are taken frm Particle Data Group 2014
double radiation_length(int z, int m){
double lr = 0;
if(z==1){return 63.04;}
if(z==2){return 94.32;}
if(z==3){return 82.78;}
if(z==4){return 65.19;}
if(z==6){return 42.7;}
if(z==7){return 37.99;}
if(z==8){return 34.24;}
if(z==9){return 32.93;}
if(z==10){return 28.94;}
if(z==13){return 24.01;}
if(z==14){return 21.82;}
if(z==17){return 19.28;}
if(z==18){return 19.55;}
if(z==22){return 16.16;}
if(z==26){return 13.84;}
if(z==29){return 12.86;}
if(z==32){return 12.25;}
if(z==50){return 8.82;}
if(z==54){return 8.48;}
if(z==74){return 6.76;}
if(z==78){return 6.54;}
if(z==79){return 6.46;}
if(z==82){return 6.37;}
if(z==92){return 6.00;}
double z2 = z*z;
double z_13 = 1.0/pow(z,1./3.);
double z_23 = z_13*z_13;
double a2 = fine_structure*fine_structure*z2;
double a4 = a2*a2;
double a6 = a4*a2;
lr= 716.405*m/(z2* (log(184.15*z_13) + log(1194.0*z_23)/z - -1.202*a2 + 1.0369*a4 - 1.008*a6/(1+a2) ) );
return lr;
}
double precalculated_lindhard(const Projectile &p){
double T = p.T;
int z = (int)p.Z ;
if(z>LS_MAX_Z)z=LS_MAX_Z;
//if(p.T<ls_coefficients::ls_energy_points[0])T=ls_coefficients::ls_energy_points[0];
if(p.T<ls_coefficients::ls_energy_table(0))T=ls_coefficients::ls_energy_table(0);
double da = (p.A - element_atomic_weight(z))/element_atomic_weight(z);
z = z-1;
//catima::Interpolator ls_a(ls_coefficients::ls_energy_points,ls_coefficients::ls_coefficients_a[z],LS_NUM_ENERGY_POINTS,interpolation_t::linear);
//catima::Interpolator ls_ahi(ls_coefficients::ls_energy_points,ls_coefficients::ls_coefficients_ahi[z],LS_NUM_ENERGY_POINTS,interpolation_t::linear);
//catima::Interpolator ls_a(ls_coefficients::ls_energy_table.values,ls_coefficients::ls_coefficients_a[z],LS_NUM_ENERGY_POINTS,interpolation_t::cspline);
//catima::Interpolator ls_ahi(ls_coefficients::ls_energy_table.values,ls_coefficients::ls_coefficients_ahi[z],LS_NUM_ENERGY_POINTS,interpolation_t::cspline);
double v1 = EnergyTable_interpolate(ls_coefficients::ls_energy_table,T,ls_coefficients::ls_coefficients_a[z]);
double v2 = EnergyTable_interpolate(ls_coefficients::ls_energy_table,T,ls_coefficients::ls_coefficients_ahi[z]);
//double dif = ls_ahi(T) - ls_a(T);
//return ls_a(T)+(dif*da/ls_coefficients::a_rel_increase);
double dif = v2 - v1;
return v1+(dif*da/ls_coefficients::a_rel_increase);
}
double precalculated_lindhard_X(const Projectile &p){
double T = p.T;
int z = (int)p.Z ;
if(z>LS_MAX_Z)z=LS_MAX_Z;
//if(p.T<ls_coefficients::ls_energy_points[0])T=ls_coefficients::ls_energy_points[0];
if(p.T<ls_coefficients::ls_energy_table(0))T=ls_coefficients::ls_energy_table(0);
double da = (p.A - element_atomic_weight(z))/element_atomic_weight(z);
z = z-1;
//catima::Interpolator ls_X_a(ls_coefficients::ls_energy_table.values,ls_coefficients::ls_X_coefficients_a[z],LS_NUM_ENERGY_POINTS,interpolation_t::linear);
//catima::Interpolator ls_X_ahi(ls_coefficients::ls_energy_table.values,ls_coefficients::ls_X_coefficients_ahi[z],LS_NUM_ENERGY_POINTS,interpolation_t::linear);
double v1 = EnergyTable_interpolate(ls_coefficients::ls_energy_table,T,ls_coefficients::ls_X_coefficients_a[z]);
double v2 = EnergyTable_interpolate(ls_coefficients::ls_energy_table,T,ls_coefficients::ls_X_coefficients_ahi[z]);
//double dif = ls_X_ahi(T) - ls_X_a(T);
//return ls_X_a(T)+(dif*da/ls_coefficients::a_rel_increase);
double dif = v2 - v1;
return v1+(dif*da/ls_coefficients::a_rel_increase);
}
double dedx_rms(Projectile &p, Target &t, const Config &c){
double zp_eff = z_effective(p,t,c);
double gamma = gamma_from_T(p.T);
double f = domega2dx_constant*pow(zp_eff,2)*t.Z*gamma*gamma;
//double X = bethek_lindhard_X(p);
double X = precalculated_lindhard_X(p);
return f*X/t.A;
}
double z_effective(const Projectile &p,const Target &t, const Config &c){
if(c.z_effective == z_eff_type::none){
return p.Q;
}
double gamma=1.0 + p.T/atomic_mass_unit;
double beta = sqrt(1.0-1.0/(gamma*gamma));
if(c.z_effective == z_eff_type::pierce_blann){
return z_eff_Pierce_Blann(p.Z, beta);
}
if(c.z_effective == z_eff_type::anthony_landorf){
return z_eff_Anthony_Landford(p.Z, beta, t.Z);
}
if(c.z_effective == z_eff_type::hubert){
return z_eff_Hubert(p.Z, p.T, t.Z);
}
return 0.0;
}
double z_eff_Pierce_Blann(double z, double beta){
return z*(1.0-exp(-130.1842*beta/pow(z,2.0/3.0)));
}
double z_eff_Anthony_Landford(double pz, double beta, double tz){
double B = 1.18-tz*(7.5e-03 - 4.53e-05*tz);
double A = 1.16-tz*(1.91e-03 - 1.26e-05*tz);
return pz*(1.0-exp(-137.035999139*B*beta/pow(pz,2.0/3.0))*A);
}
double z_eff_Hubert(double pz, double E, double tz){
double lntz = log(tz);
double x1,x2,x3,x4;
if(tz == 4){
x1 = 2.045 + 2.0*exp(-0.04369*pz);
x2 = 7.0;
x3 = 0.2643;
x4 = 0.4171;
}
else if(tz==6){
x1 = 2.584 + 1.91*exp(-0.03958*pz);
x2 = 6.933;
x3 = 0.2433;
x4 = 0.3969;
}
else{
x1 = (1.164 + 0.2319*exp(-0.004302*tz)) + 1.658*exp(-0.0517*pz);
x2 = 8.144 + 0.09876*lntz;
x3 = 0.314 + 0.01072*lntz;
x4 = 0.5218 + 0.02521*lntz;
}
return pz*(1-x1*exp(-x2*catima::power(E,x3)*catima::power(pz,-x4)));
}
std::complex<double> hyperg(const std::complex<double> &a,
const std::complex<double> &b,
const std::complex<double> &z){
double dm = 0.0;
std::complex<double> term(1.0, 0.0);
std::complex<double> sumterm(1.0, 0.0);
std::complex<double> previousterm;
do {
previousterm = term;
dm += 1.0;
std::complex<double> Cm(dm-1.0, 0.0);
term = previousterm * ((a + Cm)/(b + Cm)) * (z/dm);
sumterm += term;
} while( std::abs(term) > 1.0e-6 && std::abs(previousterm) > 1.0e-6 );
return(sumterm);
}
std::complex<double> lngamma( const std::complex<double> &z )
{
const static double coeff[6] = {76.18009172947146,
-86.50532032941677,
24.01409824083091,
-1.231739572450155,
0.1208650973866179e-2,
-0.5395239384953e-5};
double x, y;
if(z.real() > 0) {
x=z.real()-1.0;
y=z.imag();
} else {
x=-z.real();
y=-z.imag();
}
double r = sqrt((x+5.5)*(x+5.5)+y*y);
double aterm1=y*log(r);
double aterm2=(x+0.5)*atan2(y,(x+5.5))-y;
double lterm1=(x+0.5)*log(r);
double lterm2=-y*atan2(y,(x+5.5)) - (x+5.5) + 0.5*log(2.0*M_PI);
double num=0.0;
double denom=1.000000000190015;
for(int j=1;j<7;j++){
double fj=(double)j;
double cterm=coeff[j-1]/((x+fj)*(x+fj)+y*y);
num+=cterm;
denom+=(x+fj)*cterm;
}
num*=-y;
double aterm3=atan2(num,denom);
double lterm3 = 0.5*log(num*num + denom*denom);
std::complex<double> result(lterm1+lterm2+lterm3,aterm1+aterm2+aterm3);
if(z.real() < 0){
std::complex<double> lpi(log(M_PI), 0.0);
result = lpi - (result + std::log(std::sin(M_PI*z)));
}
return(result);
}
}

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/*
* Author: Andrej Prochazka
* Copyright(C) 2017
* This program is free software: you can redistribute it and/or modify
* it under the terms of the GNU Affero General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU Affero General Public License for more details.
* You should have received a copy of the GNU Affero General Public License
* along with this program. If not, see <http://www.gnu.org/licenses/>.
*/
/// \file calculations.h
#ifndef CALCULATIONS_H
#define CALCULATIONS_H
#include <complex>
#include "catima/structures.h"
#include "catima/config.h"
namespace catima{
/**
* returns nuclear stopping power for projectile-target combination
*/
double dedx_n(const Projectile &p, const Target &t);
/**
* returns electronic stopping power for projectile-target combination
*/
double dedx_e(Projectile &p, const Target &t, const Config &c=default_config);
/**
* returns total stopping power for projectile-target combination
*/
double dedx(Projectile &p, const Target &t, const Config &c=default_config);
/**
* returns energy loss straggling
*/
double dedx_rms(Projectile &p, Target &t, const Config &c=default_config);
/**
* returns reduced energy loss unit for projectile-target combination
*/
double reduced_energy_loss_unit(const Projectile &p, const Target &t);
double bethek_dedx_e(Projectile &p,const Target &t, const Config &c=default_config);
double bethek_barkas(double zp_eff,double eta, double zt);
double bethek_density_effect(double beta, int zt);
/**
* calculates lindhard correction for energy loss calculation
*/
double bethek_lindhard(const Projectile &p);
/**
* calculates lindhard correction for energy loss straggling calculation
*/
double bethek_lindhard_X(const Projectile &p);
/**
* returns linhard correction (L) calulated from tabulated precalculated data
*/
double precalculated_lindhard(const Projectile &p);
/**
* returns linhard energy loss straggling correction (X) calulated from tabulated precalculated data
*/
double precalculated_lindhard_X(const Projectile &p);
double energy_straggling_firsov(double z1,double energy, double z2, double m2);
double sezi_dedx_e(const Projectile &p, const Target &t);
double sezi_p_se(double energy,const Target &t);
double angular_scattering_variance(Projectile &p, Target &t);
/**
* returns radiation length of the (M,Z) material
* for certain z the radiation length is tabulated, otherwise calculated
* @param z - proton number of material
* @return radiation length in g/cm^2
*/
double radiation_length(int z, int m);
/** returns effective Z of the projectile
* @param c - Configuration, the z effective will be calculated according to c.z_effective value
* @return - z effective
*/
double z_effective(const Projectile &p, const Target &t, const Config &c=default_config);
/**
* calculates effective charge
* @param z - proton number of projectile
* @param beta - velocity of projectile
* @return effective charge
*/
double z_eff_Pierce_Blann(double z, double beta);
/**
* calculates effective charge
* @param pz - proton number of projectile
* @param beta - velocity of projectile
* @param tz - proton number of target material
* @return effective charge
*/
double z_eff_Anthony_Landford(double pz, double beta, double tz);
/**
* calculates effective charge
* @param pz - proton number of projectile
* @param beta - velocity of projectile
* @param tz - proton number of target material
* @return effective charge
*/
double z_eff_Hubert(double pz, double E, double tz);
//helper
double gamma_from_T(double T);
double beta_from_T(double T);
std::complex<double> lngamma( const std::complex<double> &z );
std::complex<double> hyperg(const std::complex<double> &a,
const std::complex<double> &b,
const std::complex<double> &z);
inline double power(double x, double y){
return exp(log(x)*y);
}
}
#endif

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#include <iostream>
#include <math.h>
#include <algorithm>
#include "catima/catima.h"
#include "catima/constants.h"
#include "catima/data_ionisation_potential.h"
#include "catima/data_atima.h"
#include "catima/integrator.h"
#include "catima/storage.h"
#include "catima/nucdata.h"
#include "catima/calculations.h"
namespace catima{
Config default_config;
bool operator==(const Config &a, const Config&b){
if(std::memcmp(&a,&b,sizeof(Config)) == 0){
return true;
}
else
return false;
}
double dedx(Projectile &p, double T, const Material &mat, const Config &c){
double sum = 0;
Target t;
double w=0;
if(T<=0)return 0.0;
for(int i=0;i<mat.ncomponents();i++){
auto res = mat.get_element(i);
t = res.first; //struct of target
w = res.second; //number of atoms of the element
p.T = T;
sum += t.A*w*dedx(p,t);
}
return sum/mat.M();
}
double domega2dx(Projectile &p, double T, const Material &mat, const Config &c){
double sum = 0;
Target t;
double w=0;
for(int i=0;i<mat.ncomponents();i++){
auto res = mat.get_element(i);
t = res.first; //struct of target
w = res.second; //number of atoms of the element
p.T = T;
sum += t.A*w*dedx_rms(p,t);
}
return sum/mat.M();
}
double da2dx(Projectile &p, double T, const Material &mat, const Config &c){
double sum = 0;
Target t;
double w=0;
for(int i=0;i<mat.ncomponents();i++){
auto res = mat.get_element(i);
t = res.first; //struct of target
w = res.second; //number of atoms of the element
p.T = T;
sum += t.A*w*angular_scattering_variance(p,t);
}
return sum/mat.M();
}
double range(Projectile &p, double T, const Material &t, const Config &c){
auto data = _storage.Get(p,t,c);
Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
return range_spline(T);
}
double dedx_from_range(Projectile &p, double T, const Material &t, const Config &c){
auto data = _storage.Get(p,t,c);
Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
return p.A/range_spline.derivative(T);
}
double range_straggling(Projectile &p, double T, const Material &t, const Config &c){
double r=0;
auto data = _storage.Get(p,t,c);
Interpolator range_straggling_spline(energy_table.values,data.range_straggling.data(),energy_table.num);
return sqrt(range_straggling_spline(T));
}
double range_variance(Projectile &p, double T, const Material &t, const Config &c){
auto data = _storage.Get(p,t,c);
Interpolator range_straggling_spline(energy_table.values,data.range_straggling.data(),energy_table.num);
return range_straggling_spline(T);
}
double domega2de(Projectile &p, double T, const Material &t, const Config &c){
auto data = _storage.Get(p,t,c);
Interpolator range_straggling_spline(energy_table.values,data.range_straggling.data(),energy_table.num);
return range_straggling_spline.derivative(T);
}
double da2de(Projectile &p, double T, const Material &t, const Config &c){
auto data = _storage.Get(p,t,c);
Interpolator angular_variance_spline(energy_table.values,data.angular_variance.data(),energy_table.num);
return angular_variance_spline.derivative(T);
}
double angular_straggling_from_E(Projectile &p, double T, double Tout, const Material &t, const Config &c){
double r=0;
auto data = _storage.Get(p,t,c);
Interpolator angular_straggling_spline(energy_table.values,data.angular_variance.data(),energy_table.num);
return sqrt(angular_straggling_spline(T) - angular_straggling_spline(Tout));
}
double energy_straggling_from_E(Projectile &p, double T, double Tout,const Material &t, const Config &c){
auto data = _storage.Get(p,t,c);
Interpolator range_straggling_spline(energy_table.values,data.range_straggling.data(),energy_table.num);
Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
double dEdxo = p.A/range_spline.derivative(Tout);
return dEdxo*sqrt(range_straggling_spline(T) - range_straggling_spline(Tout))/p.A;
}
double energy_out(double T, double thickness, Interpolator &range_spline){
constexpr double epsilon = 1E-5;
int counter = 0;
double lo=0,hi=T;
double range;
double dedx;
double e,r;
double step;
range = range_spline(T);
dedx = 1.0/range_spline.derivative(T);
if(range<= thickness) return 0.0;
e = T - (thickness*dedx);
while(1){
r = range - range_spline(e) - thickness;
if(fabs(r)<epsilon)return e;
step = -r*dedx;
e = e-step;
if(e<Ezero)return 0.0;
dedx = 1.0/range_spline.derivative(T);
counter++;
if(counter>100){printf("too many iterations finding Eout");return -1;}
}
return -1;
}
double energy_out(Projectile &p, double T, const Material &t, const Config &c){
auto data = _storage.Get(p,t,c);
Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
return energy_out(T,t.thickness(),range_spline);
}
Result calculate(Projectile &p, const Material &t, const Config &c){
Result res;
double T = p.T;
auto data = _storage.Get(p,t,c);
Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
res.Ein = T;
res.range = range_spline(T);
res.dEdxi = p.A/range_spline.derivative(T);
res.Eout = energy_out(T,t.thickness(),range_spline);
Interpolator range_straggling_spline(energy_table.values,data.range_straggling.data(),energy_table.num);
if(res.Eout<Ezero){
res.dEdxo = 0.0;
res.sigma_a = 0.0;
res.tof = 0.0;
res.sigma_E = 0.0;
}
else{
res.dEdxo = p.A/range_spline.derivative(res.Eout);
#ifdef THIN_TARGET_APPROXIMATION
if(thin_target_limit*res.Ein<res.Eout){
double edif = (res.Ein-res.Eout);
double s1 = range_straggling_spline.derivative(T);
double s2 = range_straggling_spline.derivative(res.Eout);
res.sigma_E = res.dEdxo*sqrt(edif*0.5*(s1+s2))/p.A;
Interpolator angular_variance_spline(energy_table.values,data.angular_variance.data(),energy_table.num);
s1 = angular_variance_spline.derivative(T);
s2 = angular_variance_spline.derivative(res.Eout);
res.sigma_a = sqrt(0.5*(s1+s2)*edif);
}
else{
res.sigma_E = res.dEdxo*sqrt(range_straggling_spline(T) - range_straggling_spline(res.Eout))/p.A;
Interpolator angular_variance_spline(energy_table.values,data.angular_variance.data(),energy_table.num);
res.sigma_a = sqrt(angular_variance_spline(T) - angular_variance_spline(res.Eout));
}
#else
res.sigma_E = res.dEdxo*sqrt(range_straggling_spline(T) - range_straggling_spline(res.Eout))/p.A;
Interpolator angular_variance_spline(energy_table.values,data.angular_variance.data(),energy_table.num);
res.sigma_a = sqrt(angular_variance_spline(T) - angular_variance_spline(res.Eout));
#endif
if( !(c.skip&skip_tof) && t.thickness()>0){
//auto tofdata = calculate_tof(p,t,c);
//Interpolator tof_spline(energy_table.values, tofdata.data(), energy_table.num,interpolation_t::linear);
//res.tof = tof_spline(res.Ein) - tof_spline(res.Eout);
res.tof = calculate_tof_from_E(p,res.Eout,t);
}
}
res.sigma_r = sqrt(range_straggling_spline(T));
res.Eloss = (res.Ein - res.Eout)*p.A;
return res;
}
MultiResult calculate(Projectile &p, const Layers &layers, const Config &c){
MultiResult res;
double e = p.T;
res.total_result.Ein = e;
res.results.reserve(layers.num());
for(auto&m:layers.get_materials()){
Result r = calculate(p,m,e,c);
e = r.Eout;
res.total_result.sigma_a += r.sigma_a*r.sigma_a;
res.total_result.Eloss += r.Eloss;
res.total_result.sigma_E += r.sigma_E*r.sigma_E;
res.total_result.tof += r.tof;
res.total_result.Eout = r.Eout;
res.results.push_back(r);
}
if(e>Ezero){
res.total_result.sigma_a = sqrt(res.total_result.sigma_a);
res.total_result.sigma_E = sqrt(res.total_result.sigma_E);
}
else{
res.total_result.sigma_a = 0.0;
res.total_result.sigma_E = 0.0;
}
return res;
}
Result calculate(double pa, int pz, double T, double ta, double tz, double thickness, double density){
Projectile p(pa,pz);
Material m(ta,tz,density,thickness);
return calculate(p(T),m);
}
std::vector<double> calculate_range(Projectile p, const Material &t, const Config &c){
double res;
std::vector<double>values;
values.reserve(max_datapoints);
auto fdedx = [&](double x)->double{return 1.0/dedx(p,x,t);};
//calculate 1st point to have i-1 element ready for loop
res = integratorGSL.Integrate(fdedx,Ezero,energy_table(0),int_eps_range,false);
res = p.A*res;
values.push_back(res);
for(int i=1;i<max_datapoints;i++){
res = integratorGSL.Integrate(fdedx,energy_table(i-1),energy_table(i),int_eps_range,false);
res = p.A*res;
res += values[i-1];
values.push_back(res);
}
return values;
}
std::vector<double> calculate_range_straggling(Projectile p, const Material &t, const Config &c){
double res;
std::vector<double>values;
values.reserve(max_datapoints);
auto function = [&](double x)->double{return 1.0*domega2dx(p,x,t)/pow(dedx(p,x,t),3);};
//auto function = [&](double x)->double{
//double de = dedx(p,x,t);
//return 1.0*domega2dx(p,x,t)/(de*de*de);
//};
//calculate 1st point to have i-1 element ready for loop
res = integratorGSL.Integrate(function,Ezero,energy_table(0),int_eps_range_str,false);
res = p.A*res;
values.push_back(res);
for(int i=1;i<max_datapoints;i++){
res = integratorGSL.Integrate(function,energy_table(i-1),energy_table(i),int_eps_range_str,false);
res = p.A*res;
res += values[i-1];
values.push_back(res);
}
return values;
}
std::vector<double> calculate_da2dx(Projectile p, const Material &t, const Config &c){
double res;
std::vector<double>values;
values.reserve(max_datapoints);
//auto function = [&](double x)->double{return p.A*da2dx(p,x,t)/dedx(p,x,t);};
auto function = [&](double x)->double{return 1.0/dedx(p,x,t);};
res = integratorGSL.Integrate(function,Ezero,energy_table(0),int_eps_ang_str,false);
res = p.A*da2dx(p,energy_table(0),t)*res;
values.push_back(res);
for(int i=1;i<max_datapoints;i++){
res = integratorGSL.Integrate(function,energy_table(i-1),energy_table(i),int_eps_ang_str,false);
res = p.A*da2dx(p,energy_table(i),t)*res;
res += values[i-1];
values.push_back(res);
}
return values;
}
std::vector<double> calculate_tof(Projectile p, const Material &t, const Config &c){
double res;
std::vector<double> values;
values.reserve(max_datapoints);
auto function = [&](double x)->double{return 1.0/(dedx(p,x,t)*beta_from_T(x));};
res = integratorGSL.Integrate(function,Ezero,energy_table(0),int_eps_tof,false);
res = res*10.0*p.A/(c_light*t.density());
values.push_back(res);
for(int i=1;i<max_datapoints;i++){
res = integratorGSL.Integrate(function,energy_table(i-1),energy_table(i),int_eps_tof,false);
res = res*10.0*p.A/(c_light*t.density());
res += values[i-1];
values.push_back(res);
}
return values;
}
DataPoint calculate_DataPoint(Projectile p, const Material &t, const Config &c){
DataPoint dp(p,t,c);
std::vector<double>range_values;
range_values.reserve(max_datapoints);
std::vector<double>range_straggling_values;
range_straggling_values.reserve(max_datapoints);
std::vector<double>angular_straggling_values;
angular_straggling_values.reserve(max_datapoints);
double dedxval;
auto fdedx = [&](double x)->double{
return 1.0/dedx(p,x,t);
};
auto fomega = [&](double x)->double{
//return 1.0*domega2dx(p,x,t)/pow(dedx(p,x,t),3);
return domega2dx(p,x,t)/catima::power(dedx(p,x,t),3);
};
double res;
//calculate 1st point to have i-1 element ready for loop
res = integratorGSL.Integrate(fdedx,Ezero,energy_table(0),int_eps_range,false);
res = p.A*res;
range_values.push_back(res);
res = da2dx(p,energy_table(0),t)*res;
angular_straggling_values.push_back(res);
res = integratorGSL.Integrate(fomega,Ezero,energy_table(0),int_eps_range_str,false);
res = p.A*res;
range_straggling_values.push_back(res);
for(int i=1;i<max_datapoints;i++){
res = p.A*integratorGSL.Integrate(fdedx,energy_table(i-1),energy_table(i),int_eps_range,false);
range_values.push_back(res + range_values[i-1]);
res = da2dx(p,energy_table(i),t)*res;
angular_straggling_values.push_back(res + angular_straggling_values[i-1]);
res = integratorGSL.Integrate(fomega,energy_table(i-1),energy_table(i),int_eps_range_str,false);
res = p.A*res;
res += range_straggling_values[i-1];
range_straggling_values.push_back(res);
}
dp.range = range_values;
dp.range_straggling = range_straggling_values;
dp.angular_variance = angular_straggling_values;
return dp;
}
double calculate_tof_from_E(Projectile p, double Eout, const Material &t, const Config &c){
double res;
//double beta_in = beta_from_T(p.T);
//double beta_out = beta_from_T(Eout);
auto function = [&](double x)->double{return 1.0/(dedx(p,x,t)*beta_from_T(x));};
res = integratorGSL.Integrate(function,Eout,p.T,int_eps_tof,false);
res = res*10.0*p.A/(c_light*t.density());
return res;
}
} // end of atima namespace

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/*
* Author: Andrej Prochazka
* Copyright(C) 2017
* This program is free software: you can redistribute it and/or modify
* it under the terms of the GNU Affero General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU Affero General Public License for more details.
* You should have received a copy of the GNU Affero General Public License
* along with this program. If not, see <http://www.gnu.org/licenses/>.
*/
#ifndef CPPATIMA_H
#define CPPATIMA_H
#include <utility>
// #define NDEBUG
#include "catima/build_config.h"
#include "catima/config.h"
#include "catima/constants.h"
#include "catima/structures.h"
#include "catima/calculations.h"
#include "catima/material_database.h"
namespace catima{
class Interpolator;
/**
* calculate dEdx for projectile-Material combination
* @param p - Projectile
* @param mat - Material
* @return dEdx
*/
double dedx(Projectile &p, double T, const Material &mat, const Config &c=default_config);
/**
* calculate energy loss straggling variance for projectile-Material combination
* @param p - Projectile
* @param mat - Material
* @return dOmega^2/dx
*/
double domega2dx(Projectile &p, double T, const Material &t, const Config &c=default_config);
/**
* calculates variance of angular scattering of Projectile p on Material m
*/
double da2dx(Projectile &p, double T, const Material &m, const Config &c=default_config);
/**
* returns the range of the Projectile in Material calculated from range spline
* @param p - Projectile
* @param T - energy in MeV/u
* @param mat - Material
* @return range
*/
double range(Projectile &p, double T, const Material &t, const Config &c=default_config);
/**
* returns the dEdx calculated from range spline as derivative
* @param p - Projectile
* @param T - energy in MeV/u
* @param mat - Material
* @return range
*/
double dedx_from_range(Projectile &p, double T, const Material &t, const Config &c=default_config);
/**
* returns the range straggling of the Projectile in Material from spline
* @param p - Projectile
* @param T - energy in MeV/u
* @param mat - Material
* @return range straggling
*/
double range_straggling(Projectile &p, double T, const Material &t, const Config &c=default_config);
/**
* returns the range variance of the Projectile in Material from spline
* @param p - Projectile
* @param T - energy in MeV/u
* @param mat - Material
* @return range straggling
*/
double range_variance(Projectile &p, double T, const Material &t, const Config &c=default_config);
/**
* returns the range variance per dE, calculated as derivative of range variance spline
* @param p - Projectile
* @param T - energy in MeV/u
* @param mat - Material
* @return range variance / dE
*/
double domega2de(Projectile &p, double T, const Material &t, const Config &c=default_config);
/**
* returns the angular variance per dE, calculated as derivative of angular variance spline
* @param p - Projectile
* @param T - energy in MeV/u
* @param mat - Material
* @return angular variance / dE
*/
double da2de(Projectile &p, double T, const Material &t, const Config &c=default_config);
/**
* calculates angular scattering in the material from difference of incoming a nd outgoing energies
* @param p - Projectile
* @param T - incoming energy
* @param Tout - outcoming energy
* @param mat - Material
* @return angular straggling
*/
double angular_straggling_from_E(Projectile &p, double T, double Tout,const Material &t, const Config &c=default_config);
/**
* calculates Energy straggling in the material from difference of incoming a nd outgoing energies
* @param p - Projectile
* @param T - incoming energy
* @param Tout - outcoming energy
* @param mat - Material
* @return angular straggling
*/
double energy_straggling_from_E(Projectile &p, double T, double Tout,const Material &t, const Config &c=default_config);
/**
* calculates outcoming energy from range spline
* @param T - incoming energy
* @thickness - thicnkess of the target in g/cm2
* @range_spline - precaclulated range spline for material
* @return outcoming energy after the thickness in Mev/u
*/
double energy_out(double T, double thickness, Interpolator &range_spline);
/**
* calculates outcoming energy
* @p - Projectile
* @t - Material
* @param T - incoming energy
* @return outcoming energy after the material in Mev/u
*/
double energy_out(Projectile &p, double T, const Material &t, const Config &c=default_config);
/**
* calculates all observables for projectile passing material
* @param p - Projectile
* @param mat - Material
* @return structure of Result
*/
Result calculate(Projectile &p, const Material &t, const Config &c=default_config);
inline Result calculate(Projectile &p, const Material &t, double T, const Config &c=default_config){
p.T = T;
return calculate(p, t, c);
}
/**
* wrapper to other calculate function with simplified arguments
* @param p - Projectile
* @param mat - Material
* @return structure of Result
*/
Result calculate(double pa, int pz, double T, double ta, double tz, double thickness, double density);
/**
* calculate observables for multiple layers of material defined by Layers
* @return results stored in MultiResult structure
*
*/
MultiResult calculate(Projectile &p, const Layers &layers, const Config &c=default_config);
inline MultiResult calculate(Projectile &p, double T, const Layers &layers, const Config &c=default_config){
p.T = T;
return calculate(p, layers, c);
}
/// the following functions are used to calculates array of data points for whole range of energies
/// usually used to construct splines
std::vector<double> calculate_range(Projectile p, const Material &t, const Config &c=default_config);
std::vector<double> calculate_range_straggling(Projectile p, const Material &t, const Config &c=default_config);
std::vector<double> calculate_angular_variance(Projectile p, const Material &t, const Config &c=default_config);
std::vector<double> calculate_tof(Projectile p, const Material &t, const Config &c=default_config);
/**
* calculates TOF of the Projectile in Material
* this is used instead of precalculated TOF spline
* @return TOF in ns
*/
double calculate_tof_from_E(Projectile p, double Eout, const Material &t, const Config &c=default_config);
class DataPoint;
/**
* calculates DataPoint for Projectile Material combinatino
* it substitute series of calls to calculate_* functions
* they are all combined here in 1 single function
* it has a perfomance gain to call this function if all splines are to be caclulated
*/
DataPoint calculate_DataPoint(Projectile p, const Material &t, const Config &c=default_config);
bool operator==(const Config &a, const Config&b);
}
#endif

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cimport catimac
from enum import IntEnum
import numpy
cdef class Material:
cdef catimac.Material cbase
def __cinit__(self, elements):
self.cbase = catimac.Material()
if(elements and isinstance(elements[0],int)):
self.cbase.add_element(elements[0],elements[1],elements[2])
if(elements and isinstance(elements[0],list)):
for e in elements:
self.cbase.add_element(e[0],e[1],e[2])
def add_element(self, a, z , s):
self.cbase.add_element(a, z, s)
def ncomponents(self):
return self.cbase.ncomponents()
def molar_mass(self):
return self.cbase.M()
def M(self):
return self.cbase.M()
def density(self, val=None):
if(val is None):
return self.cbase.density()
else:
return self.cbase.density(val)
def thickness(self, val=None):
if(val is None):
return self.cbase.thickness()
else:
return self.cbase.thickness(val)
cdef class Target:
cdef catimac.Target cbase
def __cinit__(self,a,z):
self.cbase.A = a
self.cbase.Z = z
def A(self):
return self.cbase.A
def Z(self):
return self.cbase.Z
cdef class Layers:
cdef catimac.Layers cbase
def __cinit__(self):
self.cbase = catimac.Layers()
self.materials = []
def add(self,Material m):
self.cbase.add(m.cbase)
self.materials.append(m)
def num(self):
return self.cbase.num()
def __getitem__(self, key):
if(isinstance(key,int)):
return self.materials[key]
cdef class Projectile:
cdef catimac.Projectile cbase
def __cinit__(self, a, z, t=None,q=None):
self.cbase.A = a
self.cbase.Z = z
self.cbase.Q = z
if(q):
self.cbase.Q = q
if(t):
self.cbase.T = t
def T(self,val):
self.cbase.T = val;
def __call__(self,val=None):
if(val is None):
return self.cbase.T
else:
self.T(val)
return self
def A(self):
return self.cbase.A
def Z(self):
return self.cbase.Z
cdef class Result:
cdef public double Ein
cdef public double Eout
cdef public double Eloss
cdef public double range
cdef public double dEdxi
cdef public double dEdxo
cdef public double sigma_E
cdef public double sigma_a
cdef public double sigma_r
cdef public double tof
def __init__(self):
self.Ein=0.0
self.Eout=0.0
self.Eloss=0.0
self.range=0.0
self.dEdxi=0.0
self.dEdxo=0.0
self.sigma_E=0.0
self.sigma_a=0.0
self.sigma_r=0.0
self.tof=0.0
cdef setc(self,catimac.Result &val):
self.Ein=val.Ein
self.Eout=val.Eout
self.Eloss=val.Eloss
self.range=val.range
self.dEdxi=val.dEdxi
self.dEdxo=val.dEdxo
self.sigma_E=val.sigma_E
self.sigma_a=val.sigma_a
self.sigma_r=val.sigma_r
self.tof=val.tof
class z_eff_type(IntEnum):
none = 0,
atima = 1
pierce_blann = 1
anthony_landorf = 2
hubert = 3
class skip_calculation(IntEnum):
skip_none = 0
skip_tof = 1
skip_sigma_a = 2
skip_sigma_r = 4
class corrections(IntEnum):
no_barkas = 1
no_lindhard = 2
no_shell_correction = 4
cdef class Config:
cdef catimac.Config cbase
def __cinit__(self):
#self.cbase = catimac.Config()
self.cbase.z_effective = z_eff_type.atima
self.cbase.skip = skip_calculation.skip_none
self.cbase.dedx = skip_calculation.skip_none
def z_effective(self, val=None):
if(val is None):
return self.cbase.z_effective
else:
self.cbase.z_effective = val
def skip_calculation(self, val=None):
if(val is None):
return self.cbase.skip
else:
self.cbase.skip = val
def dedx(self, val=None):
if(val is None):
return self.cbase.dedx
else:
self.cbase.dedx = val
default_config = Config()
def calculate(Projectile projectile, Material material, energy = None, Config config = default_config):
if(not energy is None):
projectile.T(energy)
cdef catimac.Result cres = catimac.calculate(projectile.cbase,material.cbase,config.cbase)
res = Result()
res.setc(cres)
return res
def range(Projectile projectile, Material material, energy = None, Config config = default_config):
if(isinstance(energy,numpy.ndarray)):
res = numpy.empty(energy.size)
for i,e in enumerate(energy):
res[i] = catimac.range(projectile.cbase, e, material.cbase, config.cbase)
return res
if(energy is None):
energy = projectile.T()
return catimac.range(projectile.cbase, energy, material.cbase, config.cbase);
def dedx_from_range(Projectile projectile, Material material, energy = None, Config config = default_config):
if(isinstance(energy,numpy.ndarray)):
res = numpy.empty(energy.size)
for i,e in enumerate(energy):
res[i] = catimac.dedx_from_range(projectile.cbase, e, material.cbase, config.cbase)
return res
if(energy is None):
energy = projectile.T()
return catimac.dedx_from_range(projectile.cbase, energy, material.cbase, config.cbase);
def domega2de(Projectile projectile, Material material, energy = None, Config config = default_config):
if(isinstance(energy,numpy.ndarray)):
res = numpy.empty(energy.size)
for i,e in enumerate(energy):
res[i] = catimac.domega2de(projectile.cbase, e, material.cbase, config.cbase)
return res
if(energy is None):
energy = projectile.T()
return catimac.domega2de(projectile.cbase, energy, material.cbase, config.cbase);
def da2de(Projectile projectile, Material material, energy = None, Config config = default_config):
if(isinstance(energy,numpy.ndarray)):
res = numpy.empty(energy.size)
for i,e in enumerate(energy):
res[i] = catimac.da2de(projectile.cbase, e, material.cbase, config.cbase)
return res
if(energy is None):
energy = projectile.T()
return catimac.da2de(projectile.cbase, energy, material.cbase, config.cbase);
def dedx(Projectile projectile, Material material, energy = None, Config config = default_config):
if(isinstance(energy,numpy.ndarray)):
res = numpy.empty(energy.size)
for i,e in enumerate(energy):
res[i] = catimac.dedx(projectile.cbase, e, material.cbase, config.cbase)
return res
if(energy is None):
energy = projectile.T()
return catimac.dedx(projectile.cbase, energy, material.cbase, config.cbase)
def energy_out(Projectile projectile, Material material, energy = None, Config config = default_config):
if(isinstance(energy,numpy.ndarray)):
res = numpy.empty(energy.size)
for i,e in enumerate(energy):
res[i] = catimac.energy_out(projectile.cbase, e, material.cbase, config.cbase)
return res
if(energy is None):
energy = projectile.T()
return catimac.energy_out(projectile.cbase, energy, material.cbase, config.cbase)
def z_effective(Projectile p, Target t, Config c = default_config):
return catimac.z_effective(p.cbase, t.cbase, c.cbase)
def z_eff_Pierce_Blann(double z, double beta):
return catimac.z_eff_Pierce_Blann(z,beta)

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from libcpp.pair cimport pair
from libcpp.vector cimport vector
cdef extern from "catima/structures.h" namespace "catima":
cdef struct Target:
double A
int Z
cdef struct Projectile:
double A
double Z
double Q
double T
cdef struct Result:
double Ein
double Eout
double Eloss
double range
double dEdxi
double dEdxo
double sigma_E
double sigma_a
double sigma_r
double tof
cdef cppclass MultiResult
cdef cppclass Material:
Material() except +
void add_element(double , int , double )
pair[Target,double] getElement(int)
int ncomponents()
double M()
double density()
void density(double val)
double thickness()
void thickness(double val)
cdef cppclass Layers:
Layers() except +
const vector[Material]& get_materials() const
void add(Material m)
int num()const
Material& operator[](int i)
Layers& operator=(const Layers& other)
cdef extern from "catima/config.h" namespace "catima":
cdef struct Config:
char z_effective;
char skip;
char dedx;
cdef extern from "catima/catima.h" namespace "catima":
cdef double dedx(Projectile &p, double T, const Material &t,const Config &c)
cdef double range(Projectile &p, double T, const Material &t, const Config &c);
cdef double dedx_from_range(Projectile &p, double T, const Material &t, const Config &c);
cdef double energy_out(Projectile &p, double T, const Material &t, const Config &c);
cdef double domega2de(Projectile &p, double T, const Material &t, const Config &c);
cdef double da2de(Projectile &p, double T, const Material &t, const Config &c);
cdef double range_straggling(Projectile &p, double T, const Material &t, const Config &c);
cdef double da2dx(Projectile &p, double T, const Material &t, const Config &c);
cdef double dedx_rms(Projectile &p, Target &t, const Config &c);
cdef double angular_variance(Projectile &p, double T, const Material &t, const Config& c);
cdef Result calculate(Projectile &p, const Material &t, const Config &c);
cdef MultiResult calculate(Projectile &p, const Layers &layers, const Config &c);
cdef extern from "catima/calculations.h" namespace "catima":
cdef double z_effective(const Projectile &p, const Target &t, const Config &c);
cdef double z_eff_Pierce_Blann(double z, double beta);
cdef extern from "catima/constants.h" namespace "catima":
cdef int max_datapoints;
cdef extern from "catima/storage.h" namespace "catima":
cdef cppclass Interpolator:
double eval(double)
double derivative(double)

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/// \file config.h
#ifndef CONFIG
#define CONFIG
#include <cstring>
namespace catima{
/**
* \enum z_eff_type
* enum to select formulat to calculate effective charge of the Projectile
*/
enum z_eff_type:char {
none = 0,
atima = 1, // the same as Pierce Blann
pierce_blann = 1,
anthony_landorf = 2,
hubert = 3
};
/**
* enum to select which calculation to skip
*/
enum skip_calculation:char{
skip_none = 0,
skip_tof = 1,
skip_sigma_a = 2,
skip_sigma_r = 4
};
/**
* enum to select which dEdx correction to skip
*/
enum corrections:char{
no_barkas = 1,
no_lindhard = 2,
no_shell_correction = 4
};
/**
* structure to store calculation configuration
* each group of options are grouped and enum are suppose to use
* see catima::z_eff_type, catima::skip_calculation, catima::corrections
*
* check catima::z_effective()
*
*/
struct Config{
char z_effective=z_eff_type::atima;
char skip=skip_none;
char dedx = 0;
};
extern Config default_config;
}
#endif

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#ifndef CONSTANTS_H
#define CONSTANTS_H
namespace catima {
constexpr double Ezero = 9E-4; // lowest E to calculate, below taken as 0
constexpr double logEmin = -3; // log of minimum energy
constexpr double logEmax = 4.5; // log of max energy
constexpr int max_datapoints = 500; // how many datapoints between logEmin and logEmax
constexpr int max_storage_data = 50; // number of datapoints which can be stored in cache
/// required integration precision (relative units)
constexpr double int_eps_range = 0.01;
constexpr double int_eps_range_str = 0.01;
constexpr double int_eps_ang_str = 0.01;
constexpr double int_eps_tof = 0.01;
constexpr double thin_target_limit = 1 - 1e-3;
constexpr double Avogadro = 6.022140857; // 10^23
constexpr double electron_mass = 0.510998928; // MeV/c^2
constexpr double atomic_mass_unit = 931.4940954; // MeV/c^2
constexpr double classical_electron_radius = 2.8179403227; //fm
constexpr double fine_structure = 1/137.035999139;
constexpr double c_light = 299.792458; //Mm/s
constexpr double dedx_constant = 0.3070749187; //4*pi*Na*me*c^2*r_e^2 //MeV cm^2
constexpr double domega2dx_constant = dedx_constant*electron_mass; //4*pi*Na*me*c^2*r_e^2 //MeV^2 cm^2
// units //
namespace units{
constexpr double g = 1.0;
constexpr double mg = 1000.0;
constexpr double cm3 = 1.0;
constexpr double cm = 1.0;
constexpr double mm = 10.;
constexpr double keV = 1000.0;
constexpr double ns = 1.0;
}
}
#endif

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#include "catima/cwrapper.h"
#include "catima/catima.h"
#include "catima/material_database.h"
#include <cstring>
extern "C" {
CatimaResult catima_calculate(double pa, int pz, double T, double ta, double tz, double thickness, double density){
catima::default_config.z_effective = catima_defaults.z_effective;
catima::default_config.skip = catima_defaults.skip;
catima::Material mat;
catima::Projectile p(pa,pz);
if(tz>200){
mat = catima::get_material(tz);
}
else{
mat.add_element(ta,tz,1.0);
}
mat.density(density).thickness(thickness);
catima::Result r = catima::calculate(p(T),mat);
CatimaResult res;
std::memcpy(&res,&r,sizeof(res));
return res;
}
double catima_angular_straggling_from_E(double pa, int pz, double Tin, double Tout,double ta, double tz){
catima::Projectile p(pa,pz);
catima::Material mat;
if(tz>200){
mat = catima::get_material(tz);
}
else{
mat.add_element(ta,tz,1.0);
}
catima::angular_straggling_from_E(p,Tin,Tout,mat);
}
double catima_energy_straggling_from_E(double pa, int pz, double Tin, double Tout,double ta, double tz){
catima::Projectile p(pa,pz);
catima::Material mat;
if(tz>200){
mat = catima::get_material(tz);
}
else{
mat.add_element(ta,tz,1.0);
}
catima::energy_straggling_from_E(p,Tin,Tout,mat);
}
}

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#ifndef CATIMA_CWRAPPER
#define CATIMA_CWRAPPER
#ifdef __cplusplus
extern "C" {
#endif
struct CatimaResult{
double Ein;
double Eout;
double Eloss;
double range;
double dEdxi;
double dEdxo;
double sigma_E;
double sigma_a;
double sigma_r;
double tof;
};
enum z_eff_type {
none = 0,
atima = 1
};
enum skip_calculation{
skip_none = 0,
skip_tof = 1,
skip_sigma_a = 2,
skip_sigma_r = 4
};
struct CatimaConfig {
char z_effective;
char skip;
};
struct CatimaConfig catima_defaults = {none,skip_none};
typedef struct CatimaResult CatimaResult;
CatimaResult catima_calculate(double pa, int pz, double T, double ta, double tz, double thickness, double density);
double catima_angular_straggling_from_E(double pa, int pz, double Tin, double Tout,double ta, double tz);
double catima_energy_straggling_from_E(double pa, int pz, double Tin, double Tout,double ta, double tz);
#ifdef __cplusplus
}
#endif
#endif

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#ifndef ATIMA_DATA
#define ATIMA_DATA
// this is taken from atima
namespace catima{
constexpr double proton_stopping_coef[92][8] = { // proton in material stopping coefficient
{ .0091827, .0053496, .69741, .48493, 316.07,1.0143, 9329.3, .0539890}, //H
{ .11393, .0051984, 1.0822, .39252, 1081.0, 1.0645, 4068.5, .0176990}, //He
{ .85837, .0050147, 1.6044, .38844, 1337.3, 1.0470, 2659.2, .01898},
{ .8781, .0051049, 5.4232, .2032, 1200.6, 1.0211, 1401.8, .0385290},
{ 1.4608, .0048836, 2.338, .44249, 1801.3, 1.0352, 1784.1, .02024},
{ 3.2579, .0049148, 2.7156, .36473, 2092.2, 1.0291, 2643.6, .0182370}, //C
{ .59674, .0050837, 4.2073, .30612, 2394.2, 1.0255, 4892.1, .0160060},
{ .75253, .0050314, 4.0824, .30067, 2455.8, 1.0181, 5069.7, .0174260}, //O
{ 1.226, .0051385, 3.2246, .32703, 2525.0, 1.0142, 7563.6, .0194690},
{ 1.0332, .0051645, 3.004, .33889, 2338.6, .99997, 6991.2, .0217990}, //Ne
{ 6.0972, .0044292, 3.1929, .45763, 1363.3, .95182, 2380.6, .0818350},
{14.013, .0043646, 2.2641, .36326, 2187.4, .99098, 6264.8, .0462},
{ .039001, .0045415, 5.5463, .39562, 1589.2, .95316, 816.16, .0474840},
{ 2.072, .0044516, 3.5585, .53933, 1515.2, .93161, 1790.3, .0351980},
{17.575, .0038346, .078694, 1.2388,2806.0, .97284, 1037.6, .0128790},
{16.126, .0038315, .054164, 1.3104,2813.3, .96587, 1251.4, .0118470},
{ 3.217, .0044579, 3.6696, .5091, 2734.6, .96253, 2187.5, .0169070},
{ 2.0379, .0044775, 3.0743, .54773, 3505.0, .97575, 1714.00, .0117010},
{ .74171, .0043051, 1.1515, .95083, 917.21, .8782, 389.93, .18926},
{ 9.1316, .0043809, 5.4611, .31327, 3891.8, .97933, 6267.9, .0151960}, //Ca
{ 7.2247, .0043718, 6.1017, .37511, 2829.2, .95218, 6376.1, .0203980},
{ .147, .0048456, 6.3485, .41057, 2164.1, .94028, 5292.6, .0502630},
{ 5.0611, .0039867, 2.6174, .57957, 2218.9, .92361, 6323.00, .0256690},
{ .53267, .0042968, .39005, 1.2725, 1872.7, .90776, 64.166, .0301070},
{ .47697, .0043038, .31452, 1.3289, 1920.5, .90649, 45.576, .0274690},
{ .027426, .0035443, .031563, 2.1755, 1919.5, .90099, 23.902, .0253630},
{ .16383, .0043042, .073454, 1.8592, 1918.4, .89678, 27.61, .0231840},
{ 4.2562, .0043737, 1.5606, .72067, 1546.8, .87958, 302.02, .0409440}, //Ni
{ 2.3508, .0043237, 2.882, .50113, 1837.7, .89992, 2377.00, .04965},
{ 3.1095, .0038455, .11477, 1.5037, 2184.7, .89309, 67.306, .0165880},
{15.322, .0040306, .65391, .67668, 3001.7, .92484, 3344.2, .0163660},
{ 3.6932, .0044813, 8.608, .27638, 2982.7, .9276, 3166.6, .0308740},
{ 7.1373, .0043134, 9.4247, .27937, 2725.8, .91597, 3166.1, .0250080},
{ 4.8979, .0042937, 3.7793, .50004, 2824.5, .91028, 1282.4, .0170610},
{ 1.3683, .0043024, 2.5679, .60822, 6907.8, .9817, 628.01, .0068055},
{ 1.8301, .0042983, 2.9057, .6038, 4744.6, .94722, 936.64, .0092242},
{ .42056, .0041169, .01695, 2.3616, 2252.7, .89192, 39.752, .0277570},
{30.78, .0037736, .55813, .76816, 7113.2, .97697, 1604.4, .0065268},
{11.576, .0042119, 7.0244, .37764, 4713.5, .94264, 2493.2, .01127},
{ 6.2406, .0041916, 5.2701, .49453, 4234.6, .93232, 2063.9, .0118440},
{ .33073, .0041243, 1.7246, 1.1062, 1930.2, .86907, 27.416, .0382080},
{ .017747, .0041715, .14586, 1.7305,1803.6, .86315, 29.669, .0321230},
{ 3.7229, .0041768, 4.6286, .56769, 1678.0, .86202, 3094.00, .06244},
{ .13998, .0041329, .25573, 1.4241, 1919.3, .86326, 72.797, .0322350},
{ .2859, .0041386, .31301, 1.3424, 1954.8, .86175, 115.18, .0293420},
{ .76, .0042179, 3.386, .76285, 1867.4, .85805, 69.994, .0364480},
{ 6.3957, .0041935, 5.4689, .41378, 1712.6, .85397,18493.00, .0564710},
{ 3.4717, .0041344, 3.2337, .63788, 1116.4, .81959, 4766.0, .1179},
{ 2.5265, .0042282, 4.532, .53562, 1030.8, .81652,16252.0, .19722},
{ 7.3683, .0041007, 4.6791, .51428, 1160.0, .82454,17965.0, .13316},
{ 7.7197, .004388, 3.242, .68434, 1428.1, .83398, 1786.7, .0665120},
{16.78, .0041918, 9.3198, .29568, 3370.9, .90289, 7431.7, .02616},
{ 4.2132, .0042098, 4.6753, .57945, 3503.9, .89261, 1468.9, .0143590},
{ 4.0818, .004214, 4.4425, .58393, 3945.3, .90281, 1340.5, .0134140}, //Xe
{.18517, .0036215, .00058788,3.5315, 2931.3, .88936, 26.18, .0263930},
{ 4.8248, .0041458, 6.0934, .57026, 2300.1, .86359, 2980.7, .0386790},
{ .49857, .0041054, 1.9775, .95877, 786.55, .78509, 806.6, .40882},
{ 3.2754, .0042177, 5.768, .54054, 6631.3, .94282, 744.07, .0083026},
{ 2.9978, .0040901, 4.5299, .62025, 2161.2, .85669, 1268.6, .0430310},
{ 2.8701, .004096, 4.2568, .6138, 2130.4, .85235, 1704.1, .0393850},
{10.853, .0041149, 5.8907, .46834, 2857.2, .8755, 3654.2, .0299550},
{ 3.6407, .0041782, 4.8742, .57861, 1267.7, .82211, 3508.2, .24174},
{17.645, .0040992, 6.5855, .32734, 3931.3, .90754, 5156.7, .0362780},
{ 7.5309, .0040814, 4.9389, .50679, 2519.7, .85819, 3314.6, .0305140},
{ 5.4742, .0040829, 4.897, .51113, 2340.1, .85296, 2342.7, .0356620},
{ 4.2661, .0040667, 4.5032, .55257, 2076.4, .84151, 1666.6, .0408010},
{ 6.8313, .0040486, 4.3987, .51675, 2003.0, .83437, 1410.4, .03478},
{ 1.2707, .0040553, 4.6295, .57428, 1626.3, .81858, 995.68, .0553190},
{ 5.7561, .0040491, 4.357, .52496, 2207.3, .83796, 1579.5, .0271650},
{14.127, .0040596, 5.8304, .37755, 3645.9, .87823, 3411.8, .0163920},
{ 6.6948, .0040603, 4.9361, .47961, 2719.0, .85249, 1885.8, .0197130},
{ 3.0619, .0040511, 3.5803, .59082, 2346.1, .83713, 1222.0, .0200720},
{10.811, .0033008, 1.3767, .76512, 2003.7, .82269, 1110.6, .0249580},
{ 2.7101, .0040961, 1.2289, .98598, 1232.4, .79066, 155.42, .0472940},
{ .52345, .0040244, 1.4038, .8551, 1461.4, .79677, 503.34, .0367890},
{ .4616, .0040203, 1.3014, .87043, 1473.5, .79687, 443.09, .0363010},
{ .97814, .0040374, 2.0127, .7225, 1890.8, .81747, 930.7, .02769},
{ 3.2086, .004051, 3.6658, .53618, 3091.2, .85602, 1508.1, .0154010},
{ 2.0035, .0040431, 7.4882, .3561, 4464.3, .88836, 3966.5, .0128390},
{15.43, .0039432, 1.1237, .70703, 4595.7, .88437, 1576.5, .0088534},
{ 3.1512, .0040524, 4.0996, .5425, 3246.3, .85772, 1691.8, .0150580},
{ 7.1896, .0040588, 8.6927, .35842, 4760.6, .88833, 2888.3, .0110290}, //Pb
{ 9.3209, .004054, 11.543, .32027, 4866.2, .89124, 3213.4, .0119350},
{29.242, .0036195, .16864, 1.1226, 5688.0, .89812, 1033.3, .0071303},
{ 1.8522, .0039973, 3.1556, .65096, 3755.0, .86383, 1602.0, .0120420},
{ 3.222, .0040041, 5.9024, .52678, 4040.2, .86804, 1658.4, .0117470},
{ 9.3412, .0039661, 7.921, .42977, 5180.9, .88773, 2173.2, .0092007},
{36.183, .0036003, .58341, .86747, 6990.2, .91082, 1417.1, .0062187},
{ 5.9284, .0039695, 6.4082, .52122, 4619.5, .88083, 2323.5, .0116270},
{ 5.2454, .0039744, 6.7969, .48542, 4586.3, .87794, 2481.5, .0112820},
{33.702, .0036901, .47257, .89235, 5295.7, .8893, 2053.3, .0091908},
{2.7589, .0039806, 3.2092, .66122, 2505.4, .82863, 2065.1, .0228160} //U
};
const double atima_vfermi[92] = {
1.0309,
0.15976,
0.59782,
1.0781,
1.0486,
1.00,
1.058,
0.93942,
0.74562,
0.3424,
0.45259,
0.71074,
0.90519,
0.97411,
0.97184,
0.89852,
0.70827,
0.39816,
0.36552,
0.62712,
0.81707,
0.9943,
1.1423,
1.2381,
1.1222,
0.92705,
1.0047,
1.2,
1.0661,
0.97411,
0.84912,
0.95,
1.0903,
1.0429,
0.49715,
0.37755,
0.35211,
0.57801,
0.77773,
1.0207,
1.029,
1.2542,
1.122,
1.1241,
1.0882,
1.2709,
1.2542,
0.90094,
0.74093,
0.86054,
0.93155,
1.0047,
0.55379,
0.43289,
0.32636,
0.5131,
0.6950,
0.72591,
0.71202,
0.67413,
0.71418,
0.71453,
0.5911,
0.70263,
0.68049,
0.68203,
0.68121,
0.68532,
0.68715,
0.61884,
0.71801,
0.83048,
1.1222,
1.2381,
1.045,
1.0733,
1.0953,
1.2381,
1.2879,
0.78654,
0.66401,
0.84912,
0.88433,
0.80746,
0.43357,
0.41923,
0.43638,
0.51464,
0.73087,
0.81065,
1.9578,
1.0257};
const double atima_lambda_screening[92]= {
1.00,
1.00,
1.10,
1.06,
1.01,
1.03,
1.04,
0.99,
0.95,
0.90,
0.82,
0.81,
0.83,
0.88,
1.00,
0.95,
0.97,
0.99,
0.98,
0.97,
0.98,
0.97,
0.96,
0.93,
0.91,
0.9,
0.88,
0.9,
0.9,
0.9,
0.9,
0.85,
0.9,
0.9,
0.91,
0.92,
0.9,
0.9,
0.9,
0.9,
0.9,
0.88,
0.9,
0.88,
0.88,
0.9,
0.9,
0.88,
0.9,
0.9,
0.9,
0.9,
0.96,
1.2,
0.9,
0.88,
0.88,
0.85,
0.90,
0.90,
0.92,
0.95,
0.99,
1.03,
1.05,
1.07,
1.08,
1.10,
1.08,
1.08,
1.08,
1.08,
1.09,
1.09,
1.10,
1.11,
1.12,
1.13,
1.14,
1.15,
1.17,
1.20,
1.18,
1.17,
1.17,
1.16,
1.16,
1.16,
1.16,
1.16,
1.16,
1.16};
}
namespace density_effect{
const double x0[92]= {
1.8639, 2.2017, 0.1304, 0.0592, 0.0305, -.0178, 1.7378, 1.7541, 1.8433, 2.0735,
0.2880, 0.1499, 0.1708, 0.2014, 0.1696, 0.1580, 1.5555, 1.7635, 0.3851, 0.3228,
0.1640, 0.0957, 0.0691, 0.0340, 0.0447, -.0012, -.0187, -.0566, -.0254, 0.0049,
0.2267, 0.3376, 0.1767, 0.2258, 1.5262, 1.7158, 0.5737, 0.4585, 0.3608, 0.2957,
0.1785, 0.2267, 0.0949, 0.0599, 0.0576, 0.0563, 0.0657, 0.1281, 0.2406, 0.2879,
0.3189, 0.3296, 0.0549, 1.5630, 0.5473, 0.4190, 0.3161, 0.2713, 0.2333, 0.1984,
0.1627, 0.1520, 0.1888, 0.1058, 0.0947, 0.0822, 0.0761, 0.0648, 0.0812, 0.1199,
0.1560, 0.1965, 0.2117, 0.2167, 0.0559, 0.0891, 0.0819, 0.1484, 0.2021, 0.2756,
0.3491, 0.3776, 0.4152, 0.4267, 0.4300, 1.5368, 0.6000, 0.5991, 0.4559, 0.4202,
0.3144, 0.2260 };
const double x1[92]= {
3.2718, 3.6122, 1.6397, 1.6922, 1.9688, 2.3415, 4.1323, 4.3213, 4.4096, 4.6421,
3.1962, 3.0668, 3.0127, 2.8715, 2.7815, 2.7159, 4.2994, 4.4855, 3.1724, 3.1191,
3.0593, 3.0386, 3.0322, 3.0451, 3.1074, 3.1531, 3.1790, 3.1851, 3.2792, 3.3668,
3.5434, 3.6096, 3.5702, 3.6264, 4.9899, 5.0748, 3.7995, 3.6778, 3.5542, 3.4890,
3.2201, 3.2784, 3.1253, 3.0834, 3.1069, 3.0555, 3.1074, 3.1667, 3.2032, 3.2959,
3.3489, 3.4418, 3.2596, 4.7371, 3.5914, 3.4547, 3.3293, 3.3432, 3.2773, 3.3063,
3.3199, 3.3460, 3.4633, 3.3932, 3.4224, 3.4474, 3.4782, 3.4922, 3.5085, 3.6246,
3.5218, 3.4337, 3.4805, 3.4960, 3.4845, 3.5414, 3.5480, 3.6212, 3.6979, 3.7275,
3.8044, 3.8073, 3.8248, 3.8293, 4.0000, 4.9889, 4.0000, 3.9428, 3.7966, 3.7681,
3.5079, 3.3721 };
const double a[92]= {
0.14092, 0.13443, 0.95136, 0.80392, 0.56224, 0.26142, 0.15349, 0.11778, 0.11083, .08064,
0.07772, 0.08163, 0.08024, 0.14921, 0.23610, 0.33992, 0.19849, 0.19714, 0.19827, .15643,
0.15754, 0.15662, 0.15436, 0.15419, 0.14973, 0.14680, 0.14474, 0.16496, 0.14339, .14714,
0.09440, 0.07188, 0.06633, 0.06568, 0.06335, 0.07446, 0.07261, 0.07165, 0.07138, .07177,
0.13883, 0.10525, 0.16572, 0.19342, 0.19205, 0.24178, 0.24585, 0.24609, 0.23879, .18689,
0.16652, 0.13815, 0.23766, 0.23314, 0.18233, 0.18268, 0.18591, 0.18885, 0.23265, .23530,
0.24280, 0.24698, 0.24448, 0.25109, 0.24453, 0.24665, 0.24638, 0.24823, 0.24889, .25295,
0.24033, 0.22918, 0.17798, 0.15509, 0.15184, 0.12751, 0.12690, 0.11128, 0.09756, .11014,
0.09455, 0.09359, 0.09410, 0.09282, 0.09000, 0.20798, 0.08000, 0.08804, 0.08567, 0.08655,
0.14770, 0.19677 };
const double c[92]= {
9.5835, 11.1393, 3.1221, 2.7847, 2.8477, 2.8680, 10.5400, 10.7004, 10.9653, 11.9041,
5.0526, 4.5297, 4.2395, 4.4351, 4.5214, 4.6659, 11.1421, 11.9480, 5.6423, 5.0396,
4.6949, 4.4450, 4.2659, 4.1781, 4.2702, 4.2911, 4.2601, 4.3115, 4.4190, 4.6906,
4.9353, 5.1411, 5.0510, 5.3210, 11.7307,12.5115,6.4776, 5.9867, 5.4801 , 5.1774,
5.0141, 4.8793, 4.7769, 4.7694, 4.8008, 4.9358, 5.0630, 5.2727, 5.5211, 5.5340,
5.6241, 5.7131, 5.9488, 12.7281, 6.9135, 6.3153, 5.7850, 5.7837, 5.8096, 5.8290,
5.8224, 5.8597, 6.2278, 5.8738, 5.9045, 5.9183, 5.9587, 5.9521, 5.9677, 6.3325,
5.9785, 5.7139, 5.5262, 5.4059, 5.3445, 5.3083, 5.3418, 5.4732, 5.5747, 5.9605,
6.1365, 6.2018, 6.3505, 6.4003, 6.4, 13.2839, 7., 7.0452, 6.3742, 6.2473,
6.0327, 5.8694 };
const double m[92]= {
5.7273, 5.8347, 2.4993, 2.4339, 2.4512, 2.8697, 3.2125, 3.2913, 3.2962, 3.5771,
3.6452, 3.6166, 3.6345, 3.2546, 2.9158, 2.6456, 2.9702, 2.9618, 2.9233, 3.0745,
3.0517, 3.0302, 3.0163, 2.9896, 2.9796, 2.9632, 2.9502, 2.8430, 2.9044, 2.8652,
3.1314, 3.3306, 3.4176, 3.4317, 3.4670, 3.4051, 3.4177, 3.4435, 3.4585, 3.4533,
3.0930, 3.2549, 2.9738, 2.8707, 2.8633, 2.7239, 2.6899, 2.6772, 2.7144, 2.8576,
2.9319, 3.0354, 2.7276, 2.7414, 2.8866, 2.8906, 2.8828, 2.8592, 2.7331, 2.7050,
2.6674, 2.6403, 2.6245, 2.5977, 2.6056, 2.5849, 2.5726, 2.5573, 2.5469, 2.5141,
2.5643, 2.6155, 2.7623, 2.8447, 2.8627, 2.9608, 2.9658, 3.0417, 3.1101, 3.0519,
3.1450, 3.1608, 3.1671, 3.1830, 1.1111, 2.7409, 1.1111, 3.2454, 3.2683, 3.2610,
2.9845, 2.8171 };
const double del_0[92]= {
0.0, 0.00, 0.14, 0.14, 0.14, 0.12, 0.00, 0.00, 0.00, 0.00,
0.08, 0.08, 0.12, 0.14, 0.14, 0.14, 0.00, 0.00, 0.10, 0.14,
0.10, 0.12, 0.14, 0.14, 0.14, 0.12, 0.12, 0.10, 0.08, 0.08,
0.14, 0.14, 0.08, 0.10, 0.00, 0.00, 0.14, 0.14, 0.14, 0.14,
0.14, 0.14, 0.14, 0.14, 0.14, 0.14, 0.14, 0.14, 0.14, 0.14,
0.14, 0.14, 0.00, 0.00, 0.14, 0.14, 0.14, 0.14, 0.14, 0.14,
0.14, 0.14, 0.14, 0.14, 0.14, 0.14, 0.14, 0.14, 0.14, 0.14,
0.14, 0.14, 0.14, 0.14, 0.08, 0.10, 0.10, 0.12, 0.14, 0.14,
0.14, 0.14, 0.14, 0.14, 0.00, 0.00, 0.00, 0.14, 0.14, 0.14,
0.14, 0.14 };
}
#endif

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/*
* Author: Andrej Prochazka
* Copyright(C) 2017
* This program is free software: you can redistribute it and/or modify
* it under the terms of the GNU Affero General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU Affero General Public License for more details.
* You should have received a copy of the GNU Affero General Public License
* along with this program. If not, see <http://www.gnu.org/licenses/>.
*/
#ifndef IONISATION_POTENTIALS_H
#define IONISATION_POTENTIALS_H
#define IPOT_ZMAX 120
namespace catima{
const double ionisation_potentials_z[IPOT_ZMAX+1] = {
9999999, // 0
19.2, // H
41.8, // He
40.0,
63.7,
76.0,
78.0, // C
82.0,
95.0,
115.0,
137.0,
149.0,
156.0,
166.0,
173.0,
173.0,
180.0,
174.0,
188.0,
190.0,
191.0, //Ca (20)
216.0,
233.0,
245.0,
257.0,
272.0,
286.0, //Fe 26
297.0,
311.0,
322.0,
330.0,
334.0,
350.0,
347.0,
348.0,
343.0,
352.0,
363.0,
366.0,
379.0,
393.0,
417.0,
424.0,
428.0,
441.0,
449.0,
470.0,
470.0,
469.0,
488.0,
488.0, //Sn 50
487.0,
485.0,
491.0,
482.0, // Xe 54
488.0,
491.0,
501.0,
523.0,
535.0,
546.0,
560.0,
574.0,
580.0,
591.0,
614.0,
628.0,
650.0,
658.0,
674.0,
684.0,
694.0,
705.0,
718.0,
727.0,
736.0,
746.0,
757.0,
790.0,
790.0, // Au 79
800.0,
810.0,
823.0, //Pb 82
823.0,
830.0,
825.0,
794.0,
827.0,
826.0,
841.0,
847.0,
878.0,
890.0, // U 92
900.0,
910.0,
920.0,
930.0,
940.0,
950.0,
960.0,
970.0,
980.0,
990.0,
1000.0,
1010.0,
1020.0,
1030.0,
1040.0,
1050.0,
1060.0,
1070.0,
1080.0,
1090.0,
1100.0,
1110.0,
1120.0,
1130.0,
1140.0,
1150.0,
1160.0,
1170.0,
};
inline double ipot(int z){
if(z<1 || z>IPOT_ZMAX){
return 0.0;
}
return ionisation_potentials_z[z];
}
}
#endif

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#ifndef SRIM_DATA
#define SRIM_DATA
// this is take from atima
constexpr double proton_stopping_coef[92][8] = { // proton in material stopping coefficient
{ .0091827, .0053496, .69741, .48493, 316.07,1.0143, 9329.3, .0539890}, //H
{ .11393, .0051984, 1.0822, .39252, 1081.0, 1.0645, 4068.5, .0176990}, //He
{ .85837, .0050147, 1.6044, .38844, 1337.3, 1.0470, 2659.2, .01898},
{ .8781, .0051049, 5.4232, .2032, 1200.6, 1.0211, 1401.8, .0385290},
{ 1.4608, .0048836, 2.338, .44249, 1801.3, 1.0352, 1784.1, .02024},
{ 3.2579, .0049148, 2.7156, .36473, 2092.2, 1.0291, 2643.6, .0182370}, //C
{ .59674, .0050837, 4.2073, .30612, 2394.2, 1.0255, 4892.1, .0160060},
{ .75253, .0050314, 4.0824, .30067, 2455.8, 1.0181, 5069.7, .0174260}, //O
{ 1.226, .0051385, 3.2246, .32703, 2525.0, 1.0142, 7563.6, .0194690},
{ 1.0332, .0051645, 3.004, .33889, 2338.6, .99997, 6991.2, .0217990}, //Ne
{ 6.0972, .0044292, 3.1929, .45763, 1363.3, .95182, 2380.6, .0818350},
{14.013, .0043646, 2.2641, .36326, 2187.4, .99098, 6264.8, .0462},
{ .039001, .0045415, 5.5463, .39562, 1589.2, .95316, 816.16, .0474840},
{ 2.072, .0044516, 3.5585, .53933, 1515.2, .93161, 1790.3, .0351980},
{17.575, .0038346, .078694, 1.2388,2806.0, .97284, 1037.6, .0128790},
{16.126, .0038315, .054164, 1.3104,2813.3, .96587, 1251.4, .0118470},
{ 3.217, .0044579, 3.6696, .5091, 2734.6, .96253, 2187.5, .0169070},
{ 2.0379, .0044775, 3.0743, .54773, 3505.0, .97575, 1714.00, .0117010},
{ .74171, .0043051, 1.1515, .95083, 917.21, .8782, 389.93, .18926},
{ 9.1316, .0043809, 5.4611, .31327, 3891.8, .97933, 6267.9, .0151960}, //Ca
{ 7.2247, .0043718, 6.1017, .37511, 2829.2, .95218, 6376.1, .0203980},
{ .147, .0048456, 6.3485, .41057, 2164.1, .94028, 5292.6, .0502630},
{ 5.0611, .0039867, 2.6174, .57957, 2218.9, .92361, 6323.00, .0256690},
{ .53267, .0042968, .39005, 1.2725, 1872.7, .90776, 64.166, .0301070},
{ .47697, .0043038, .31452, 1.3289, 1920.5, .90649, 45.576, .0274690},
{ .027426, .0035443, .031563, 2.1755, 1919.5, .90099, 23.902, .0253630},
{ .16383, .0043042, .073454, 1.8592, 1918.4, .89678, 27.61, .0231840},
{ 4.2562, .0043737, 1.5606, .72067, 1546.8, .87958, 302.02, .0409440}, //Ni
{ 2.3508, .0043237, 2.882, .50113, 1837.7, .89992, 2377.00, .04965},
{ 3.1095, .0038455, .11477, 1.5037, 2184.7, .89309, 67.306, .0165880},
{15.322, .0040306, .65391, .67668, 3001.7, .92484, 3344.2, .0163660},
{ 3.6932, .0044813, 8.608, .27638, 2982.7, .9276, 3166.6, .0308740},
{ 7.1373, .0043134, 9.4247, .27937, 2725.8, .91597, 3166.1, .0250080},
{ 4.8979, .0042937, 3.7793, .50004, 2824.5, .91028, 1282.4, .0170610},
{ 1.3683, .0043024, 2.5679, .60822, 6907.8, .9817, 628.01, .0068055},
{ 1.8301, .0042983, 2.9057, .6038, 4744.6, .94722, 936.64, .0092242},
{ .42056, .0041169, .01695, 2.3616, 2252.7, .89192, 39.752, .0277570},
{30.78, .0037736, .55813, .76816, 7113.2, .97697, 1604.4, .0065268},
{11.576, .0042119, 7.0244, .37764, 4713.5, .94264, 2493.2, .01127},
{ 6.2406, .0041916, 5.2701, .49453, 4234.6, .93232, 2063.9, .0118440},
{ .33073, .0041243, 1.7246, 1.1062, 1930.2, .86907, 27.416, .0382080},
{ .017747, .0041715, .14586, 1.7305,1803.6, .86315, 29.669, .0321230},
{ 3.7229, .0041768, 4.6286, .56769, 1678.0, .86202, 3094.00, .06244},
{ .13998, .0041329, .25573, 1.4241, 1919.3, .86326, 72.797, .0322350},
{ .2859, .0041386, .31301, 1.3424, 1954.8, .86175, 115.18, .0293420},
{ .76, .0042179, 3.386, .76285, 1867.4, .85805, 69.994, .0364480},
{ 6.3957, .0041935, 5.4689, .41378, 1712.6, .85397,18493.00, .0564710},
{ 3.4717, .0041344, 3.2337, .63788, 1116.4, .81959, 4766.0, .1179},
{ 2.5265, .0042282, 4.532, .53562, 1030.8, .81652,16252.0, .19722},
{ 7.3683, .0041007, 4.6791, .51428, 1160.0, .82454,17965.0, .13316},
{ 7.7197, .004388, 3.242, .68434, 1428.1, .83398, 1786.7, .0665120},
{16.78, .0041918, 9.3198, .29568, 3370.9, .90289, 7431.7, .02616},
{ 4.2132, .0042098, 4.6753, .57945, 3503.9, .89261, 1468.9, .0143590},
{ 4.0818, .004214, 4.4425, .58393, 3945.3, .90281, 1340.5, .0134140}, //Xe
{.18517, .0036215, .00058788,3.5315, 2931.3, .88936, 26.18, .0263930},
{ 4.8248, .0041458, 6.0934, .57026, 2300.1, .86359, 2980.7, .0386790},
{ .49857, .0041054, 1.9775, .95877, 786.55, .78509, 806.6, .40882},
{ 3.2754, .0042177, 5.768, .54054, 6631.3, .94282, 744.07, .0083026},
{ 2.9978, .0040901, 4.5299, .62025, 2161.2, .85669, 1268.6, .0430310},
{ 2.8701, .004096, 4.2568, .6138, 2130.4, .85235, 1704.1, .0393850},
{10.853, .0041149, 5.8907, .46834, 2857.2, .8755, 3654.2, .0299550},
{ 3.6407, .0041782, 4.8742, .57861, 1267.7, .82211, 3508.2, .24174},
{17.645, .0040992, 6.5855, .32734, 3931.3, .90754, 5156.7, .0362780},
{ 7.5309, .0040814, 4.9389, .50679, 2519.7, .85819, 3314.6, .0305140},
{ 5.4742, .0040829, 4.897, .51113, 2340.1, .85296, 2342.7, .0356620},
{ 4.2661, .0040667, 4.5032, .55257, 2076.4, .84151, 1666.6, .0408010},
{ 6.8313, .0040486, 4.3987, .51675, 2003.0, .83437, 1410.4, .03478},
{ 1.2707, .0040553, 4.6295, .57428, 1626.3, .81858, 995.68, .0553190},
{ 5.7561, .0040491, 4.357, .52496, 2207.3, .83796, 1579.5, .0271650},
{14.127, .0040596, 5.8304, .37755, 3645.9, .87823, 3411.8, .0163920},
{ 6.6948, .0040603, 4.9361, .47961, 2719.0, .85249, 1885.8, .0197130},
{ 3.0619, .0040511, 3.5803, .59082, 2346.1, .83713, 1222.0, .0200720},
{10.811, .0033008, 1.3767, .76512, 2003.7, .82269, 1110.6, .0249580},
{ 2.7101, .0040961, 1.2289, .98598, 1232.4, .79066, 155.42, .0472940},
{ .52345, .0040244, 1.4038, .8551, 1461.4, .79677, 503.34, .0367890},
{ .4616, .0040203, 1.3014, .87043, 1473.5, .79687, 443.09, .0363010},
{ .97814, .0040374, 2.0127, .7225, 1890.8, .81747, 930.7, .02769},
{ 3.2086, .004051, 3.6658, .53618, 3091.2, .85602, 1508.1, .0154010},
{ 2.0035, .0040431, 7.4882, .3561, 4464.3, .88836, 3966.5, .0128390},
{15.43, .0039432, 1.1237, .70703, 4595.7, .88437, 1576.5, .0088534},
{ 3.1512, .0040524, 4.0996, .5425, 3246.3, .85772, 1691.8, .0150580},
{ 7.1896, .0040588, 8.6927, .35842, 4760.6, .88833, 2888.3, .0110290}, //Pb
{ 9.3209, .004054, 11.543, .32027, 4866.2, .89124, 3213.4, .0119350},
{29.242, .0036195, .16864, 1.1226, 5688.0, .89812, 1033.3, .0071303},
{ 1.8522, .0039973, 3.1556, .65096, 3755.0, .86383, 1602.0, .0120420},
{ 3.222, .0040041, 5.9024, .52678, 4040.2, .86804, 1658.4, .0117470},
{ 9.3412, .0039661, 7.921, .42977, 5180.9, .88773, 2173.2, .0092007},
{36.183, .0036003, .58341, .86747, 6990.2, .91082, 1417.1, .0062187},
{ 5.9284, .0039695, 6.4082, .52122, 4619.5, .88083, 2323.5, .0116270},
{ 5.2454, .0039744, 6.7969, .48542, 4586.3, .87794, 2481.5, .0112820},
{33.702, .0036901, .47257, .89235, 5295.7, .8893, 2053.3, .0091908},
{2.7589, .0039806, 3.2092, .66122, 2505.4, .82863, 2065.1, .0228160} //U
};
const double srim_vfermi[92] = {
1.0309,
0.15976,
0.59782,
1.0781,
1.0486,
1.00,
1.058,
0.93942,
0.74562,
0.3424,
0.45259,
0.71074,
0.90519,
0.97411,
0.97184,
0.89852,
0.70827,
0.39816,
0.36552,
0.62712,
0.81707,
0.9943,
1.1423,
1.2381,
1.1222,
0.92705,
1.0047,
1.2,
1.0661,
0.97411,
0.84912,
0.95,
1.0903,
1.0429,
0.49715,
0.37755,
0.35211,
0.57801,
0.77773,
1.0207,
1.029,
1.2542,
1.122,
1.1241,
1.0882,
1.2709,
1.2542,
0.90094,
0.74093,
0.86054,
0.93155,
1.0047,
0.55379,
0.43289,
0.32636,
0.5131,
0.6950,
0.72591,
0.71202,
0.67413,
0.71418,
0.71453,
0.5911,
0.70263,
0.68049,
0.68203,
0.68121,
0.68532,
0.68715,
0.61884,
0.71801,
0.83048,
1.1222,
1.2381,
1.045,
1.0733,
1.0953,
1.2381,
1.2879,
0.78654,
0.66401,
0.84912,
0.88433,
0.80746,
0.43357,
0.41923,
0.43638,
0.51464,
0.73087,
0.81065,
1.9578,
1.0257};
double srim_lambda_screening[92]= {
1.00,
1.00,
1.10,
1.06,
1.01,
1.03,
1.04,
0.99,
0.95,
0.90,
0.82,
0.81,
0.83,
0.88,
1.00,
0.95,
0.97,
0.99,
0.98,
0.97,
0.98,
0.97,
0.96,
0.93,
0.91,
0.9,
0.88,
0.9,
0.9,
0.9,
0.9,
0.85,
0.9,
0.9,
0.91,
0.92,
0.9,
0.9,
0.9,
0.9,
0.9,
0.88,
0.9,
0.88,
0.88,
0.9,
0.9,
0.88,
0.9,
0.9,
0.9,
0.9,
0.96,
1.2,
0.9,
0.88,
0.88,
0.85,
0.90,
0.90,
0.92,
0.95,
0.99,
1.03,
1.05,
1.07,
1.08,
1.10,
1.08,
1.08,
1.08,
1.08,
1.09,
1.09,
1.10,
1.11,
1.12,
1.13,
1.14,
1.15,
1.17,
1.20,
1.18,
1.17,
1.17,
1.16,
1.16,
1.16,
1.16,
1.16,
1.16,
1.16};
#endif

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\documentclass[12pt,a4paper]{article}
\usepackage{amsmath}
\usepackage{amsfonts}
\usepackage{amssymb}
\usepackage{graphicx}
\begin{document}
\section{splines caclulations}
Splines data points are calculated at fixed energies. The energy points are uniformly distributed in logarithmic range.
The number of points and logarithmic limits are defined in \textit{constants.h}.
The number of points is \textit{max\_datapoints}, log limits are \textit{logEmin} and \textit{logEmax}.
The energy points are stored in \textit{EnergyTable} class and precalculated values are stored in \textit{energy\_table} variable.
the double array can be accessed as energy\_table.values.
The integration is done using GSL numerical integration library.
\subsection{range spline precision}
The range spline precision is checked via calculating dE/dx from inverse derivative of range spline and compared to directly calculated dE/dx.
\begin{figure}[h]
\centering
\includegraphics[width=6.5cm]{plots/dedx_difs_n500.png}
\includegraphics[width=6.5cm]{plots/dedx_difs_n400.png}
\includegraphics[width=6.5cm]{plots/dedx_difs_n300.png}
\includegraphics[width=6.5cm]{plots/dedx_difs_n200.png}
\caption{Relative difference of dE/dx calculated directly and from range spline, number of range spline datapoints = 500(top left), 400(top right), 300(bottom left), 200(bottom right)}
\end{figure}
\section{Benchmarks}
\subsection{Thin Target Approximation}
test: projectile: 238U@700MeV/u - 30GeV/u, material: C(1mg/cm2), 30000 calculation in loop.
reults: with thin target pproximation: 2.4s, without: 2.4s
\end{document}

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CATima library manual {#mainpage}
=====================
Compiling and Instalation
-------------------------
See [README.md](README.md) for details.
Units
------
The following units are used for input and outputs:
* projectile energy - MeV/u
* density - g/cm^3
* material thickness - g/cm^2
* material length - cm
* angle - rad
* time of flight - ns
Projectile
----------
The __Projectile__ class is used to store projectile data.
Each projectile must provide A,Z combination, additionally charge state can be set as well.
The example of projectile definition:
~~~~~~~~~~~~~~~~~~~{.cpp}
catima::Projectile p1(12,6); //12C projectile
catima::Projectile p2(12,6,5); //12C(5+) projectile
~~~~~~~~~~~~~~~~~~~
to set the energy of the projectile in MeV/u units:
```cpp
p1.T = 1000.0;
p2(1000.0);
```
Material Definition
-------------------
The material is defined and stored in __Material__ class.
The class stores the atom constituents, thickness and density of the material etc.
There are 2 ways to define materials: specifying all elements in constructor or using `add_element(double, int, double)` function.
The example of water definition:
```cpp
catima::Material water1({
{1,1,2}, // 2 atoms of 1H
{16,8,1} // 1 atom of 16O
});
water1.density(1.0);
water1.thickness(2.0);
catima::Material water2;
water2.add_element(1,1,2);
water2.add_element(16,8,1);
water2.density(1.0).thickness(2.0);
```
If mass number is equal to 0, the mass number of the element is taken as atomic weight of the element with provided Z
Other methods which can be used for Material:
```cpp
double den = water2.density(); //den equals 1.0
double th = water2.thickness(); //th equals 2.0
double molar_mass = water2.M(); // get molar mass of water
int ncomp = water2.ncomponents(); // ncomp equals 2
```
### predefined materials ###
If the library is compiled with predefined materials database, the Material can be retrieved from the database as:
```cpp
using namespace catimal
Material water = get_material(material::WATER);
Material graphite = get_material(6);
```
currently all meterial up to Z=98 are predefined plus compounds from MOCADI:
```
enum material{
PLASTIC = 201,
AIR = 202,
CH2,
LH2,
LD2,
WATER,
DIAMOND,
GLASS,
ALMG3,
ARCO2_30,
CF4,
ISOBUTANE,
KAPTON,
MYLAR,
NAF,
P10,
POLYOLEFIN,
CMO2,
SUPRASIL,
HAVAR
};
```
Calculation
-----------
To calculate all observable following function can be used:
```cpp
Result calculate(Projectile &p, const Material &t, double T, Config c)
Result calculate(Projectile &p, const Material &t, Config c)
```
Both function returns structure ___Result___ which contains all calculated variables.
```cpp
struct Result{
double Ein=0.0;
double Eout=0.0;
double Eloss = 0.0;
double range=0.0;
double dEdxi=0.0;
double dEdxo=0.0;
double sigma_E=0.0;
double sigma_a=0.0;
double sigma_r=0.0;
double tof=0.0;
};
```
If one is interested only in one of the variable, the following function can be used:
```cpp
double dedx(Projectile &p, double T, const Material &t, Config c=default_config);
double domega2dx(Projectile &p, double T, const Material &t, Config c=default_config);
double range(Projectile &p, double T, const Material &t, Config c=default_config);
double range_straggling(Projectile &p, double T, const Material &t, Config c=default_config);
double angular_straggling(Projectile &p, double T, const Material &t, Config c=default_config);
\end{verbatim}
```
Example calculation:
```cpp
...
double T=1000;
auto result = catima::calculate(p1(1000),water1);
cout<<"T "<<T<<", dEdx = "<<result.dEdxi<<" MeV/g/cm2"<<", range = "<<result.range<<" g/cm2"<<endl;
```
Multilayer Material
-------------------
The layers of __Materials__ are stored in __catima::Layers__ class.
There are following ways to define Layers from catima::Material classes:
```cpp
catima::Material graphite({12,6,1});
catima::Material nitrogen({14,7,1});
...
catima::Layers matter1;
matter1.add(graphite);
matter1.add(nitrogen);
matter1.add(graphite);
cout<<"number of layers = "<<matter1.num()<<"\n"; // 3
```
Layers can be copied from existing Layes:
```cpp
catima::Layers matter2;
matter2 = matter1; //matter2 contain 3 layers
matter2.add(nitrogen);
matter2.add(graphite); //matter2 contains 5 layers now
```
Layers can be created as a combination of another Layers:
```cpp
catima::Layers matter3 = matter1 + matter2;
```
Config
------
The calculation configuration is set via catima::Config class. The dafault configuration is predefined in __catima::default_config__ variable.
This __default_config__ is supplied as default argument to functions like catima::calculate. If custom config is needed another configuration can be provided.
the structure Config is defined as:
```cpp
struct Config{
char z_effective=z_eff_type::atima;
char skip=skip_none;
char dedx = 0;
};
```
### effective charge calculation###
the following effective charge calculations are buit in:
```
enum z_eff_type:char {
none = 0,
atima = 1,
pierce_blann = 1,
anthony_landorf = 2,
hubert = 3
};
```
* z_eff_type::none - the provided Projectile Q is used as a charge
* z_eff_type::pierce_blann - Pierce Blann formula, using function: z_eff_Pierce_Blann()
* z_eff_type::anthony_landorf - function: z_eff_Anthony_Landorf()
* z_eff_type::huber - function: z_eff_Huber()
All available switches are defined in __config.h__ file.
Using the library
=================
the include direcotry and LD_LIBRARY_PATH must be properly adjusted.
The app must be linked against catima library.
For example check examples directory and makefile inside to see how to link.
All functions and classes are inside __catima namespace__
Normally including main file is enough:
```cppp
#include "catima/catima.h"
```
Using with C
-------------
the C wrapper is provided in cwapper.h, this file can be included in C app. The C app must be then linked against catima library.
It provides only basic interface.

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#include "catima/catima.h"
#include <iostream>
using std::cout;
using std::endl;
int main(){
catima::Material graphite;
graphite.add_element(12,6,1); // arguments are A,Z, stoichiometric number
graphite.density(1.8); // density in g/cm3
graphite.thickness(2.0); // thickness in g/cm2
catima::Material water({ // material with 2 atoms
{1,1,2}, // 1H - two atoms
{16,8,1} // 16O - 1 atom
});
water.density(1.0).thickness(2.0);
catima::Projectile p(12,6); // define projectile, ie 12C
catima::Layers layer1; // create layers from materials defined above
layer1.add(graphite);
layer1.add(water);
layer1.add(graphite);
auto results = catima::calculate(p(1000),layer1); //calculate rtansport through layers with initial energy 1000 MeV/u
return 0;
}

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PROGRAMS=simple example2 materials
GCC=g++ -Wall -std=c++14
INCDIR=-I$(CATIMAPATH)/include
LIBDIR=-L$(CATIMAPATH)
LIBS=-lcatima
all: $(PROGRAMS)
%: %.cpp
$(GCC) $< $(INCDIR) $(LIBDIR) $(LIBS) -o $@
clean:
rm $(PROGRAMS)

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#include "catima/catima.h"
#include <iostream>
using std::cout;
using std::endl;
int main(){
catima::Material graphite = catima::get_material(6);
catima::Material water = catima::get_material(catima::material::WATER);
cout<<"Material info"<<endl;
cout<<"Molar Mass = "<<graphite.M()<<endl;
cout<<"density = "<<graphite.density()<<endl;
cout<<"Material info"<<endl;
cout<<"Molar Mass = "<<water.M()<<endl;
cout<<"density = "<<water.density()<<endl;
return 0;
}

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#include "catima/catima.h"
#include <iostream>
using std::cout;
using std::endl;
int main(){
catima::Material graphite;
graphite.add_element(12,6,1); // arguments are A,Z, stoichiometric number
graphite.density(1.8); // density in g/cm3
graphite.thickness(2.0); // thickness in g/cm2
catima::Material water({ // material with 2 atoms
{1,1,2}, // 1H - two atoms
{16,8,1} // 16O - 1 atom
});
water.density(1.0).thickness(2.0);
catima::Projectile p(12,6); // define projectile, ie 12C
cout<<"C->C\n";
for(double T:{20,50,100,600,1000}){
auto result = catima::calculate(p(T),graphite);
cout<<"T "<<T<<", dEdx = "<<result.dEdxi<<" MeV/g/cm2"<<", range = "<<result.range<<" g/cm2"<<endl;
}
cout<<"C->H2O\n";
for(double T:{20,50,100,600,1000}){
auto result = catima::calculate(p,water,T);
cout<<"T "<<T<<", dEdx = "<<result.dEdxi<<" MeV/g/cm2"<<", range = "<<result.range<<" g/cm2"<<endl;
}
return 0;
}

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//LS precalculated LS coefficients
#include "catima/storage.h"
#define LS_NUM_ENERGY_POINTS 200
#define LS_MAX_Z 110
namespace catima{
namespace ls_coefficients{
// relative difference of mass number for 2nd mass point ls_coefficients_ahi
constexpr double a_rel_increase=0.05;
constexpr double logEmin = 0;
constexpr double logEmax = 4.5;
// energy points array in MeV/u
constexpr EnergyTable<200> ls_energy_table(0,4.5);
//arrays dimensions are [z][energy], z=1 starts from index=0
//LS coefficient for A=atomic weight
double ls_coefficients_a[][200]=
{
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};
//LS coefficient for A=atomic weight * 1.05
double ls_coefficients_ahi[][200]=
{
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};
//arrays dimensions are [z][energy], z=1 starts from index=0
//LS X coefficient (dE straggling) for A=atomic weight
double ls_X_coefficients_a[][200]=
{
{0.999131,0.999077,0.99902,0.998959,0.998896,0.998829,0.998758,0.998684,0.998606,0.998523,0.998436,0.998344,0.998247,0.998144,0.998037,0.997923,0.997803,0.997677,0.997544,0.997404,0.997256,0.9971,0.996936,0.996763,0.996581,0.996389,0.996187,0.995974,0.995749,0.995513,0.995264,0.995001,0.994725,0.994434,0.994127,0.993804,0.993465,0.993107,0.99273,0.992333,0.991915,0.991476,0.991013,0.990526,0.990014,0.989475,0.988907,0.988311,0.987683,0.987023,0.986328,0.985598,0.98483,0.984023,0.983175,0.982284,0.981347,0.980363,0.979329,0.978243,0.977103,0.975906,0.97465,0.973331,0.971948,0.970497,0.968975,0.967379,0.965707,0.963954,0.962119,0.960196,0.958184,0.956078,0.953874,0.95157,0.949161,0.946644,0.944014,0.941269,0.938405,0.935417,0.932302,0.929056,0.925676,0.922158,0.918498,0.914694,0.910743,0.906641,0.902385,0.897974,0.893405,0.888676,0.883786,0.878734,0.87352,0.868142,0.862602,0.8569,0.851037,0.845017,0.838841,0.832513,0.826037,0.819418,0.812662,0.805774,0.798763,0.791635,0.784399,0.777065,0.769643,0.762143,0.754577,0.746956,0.739293,0.731601,0.723893,0.716184,0.708485,0.700813,0.69318,0.685601,0.67809,0.67066,0.663323,0.656094,0.648984,0.642005,0.635167,0.62848,0.621954,0.615596,0.609414,0.603414,0.597601,0.591979,0.58655,0.581317,0.57628,0.571439,0.566792,0.562338,0.558072,0.553991,0.55009,0.546362,0.542801,0.5394,0.53615,0.533043,0.530069,0.52722,0.524484,0.52185,0.519308,0.516845,0.51445,0.512109,0.509809,0.507537,0.505278,0.503017,0.500738,0.498425,0.49606,0.493626,0.491102,0.48847,0.485706,0.482789,0.479693,0.476394,0.472863,0.46907,0.464985,0.460574,0.455801,0.45063,0.445021,0.438932,0.432321,0.42514,0.417349,0.4089,0.399748,0.389851,0.37917,0.367672,0.355335,0.342146,0.328114,0.31327,0.297676,0.281437,0.264712,0.247731,0.230813,0.214391},
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{1.02524,1.02511,1.02504,1.02504,1.0251,1.02523,1.02542,1.02568,1.026,1.02639,1.02685,1.02738,1.02798,1.02865,1.0294,1.03021,1.03111,1.03209,1.03315,1.03429,1.03552,1.03684,1.03825,1.03976,1.04136,1.04307,1.04489,1.04682,1.04887,1.05104,1.05333,1.05575,1.05831,1.06101,1.06386,1.06686,1.07003,1.07336,1.07687,1.08055,1.08443,1.0885,1.09278,1.09728,1.10199,1.10694,1.11213,1.11757,1.12326,1.12923,1.13548,1.14201,1.14885,1.156,1.16346,1.17126,1.1794,1.18789,1.19674,1.20597,1.21557,1.22557,1.23596,1.24676,1.25798,1.26962,1.2817,1.29421,1.30716,1.32055,1.3344,1.34869,1.36344,1.37864,1.39429,1.41038,1.42692,1.4439,1.4613,1.47912,1.49735,1.51598,1.53498,1.55435,1.57406,1.5941,1.61443,1.63505,1.65592,1.67701,1.69829,1.71974,1.74131,1.76298,1.78471,1.80647,1.82821,1.8499,1.87149,1.89295,1.91424,1.93532,1.95615,1.97669,1.9969,2.01675,2.03619,2.05521,2.07375,2.09179,2.10931,2.12628,2.14268,2.15847,2.17366,2.18822,2.20214,2.21542,2.22805,2.24002,2.25134,2.26202,2.27206,2.28147,2.29026,2.29845,2.30606,2.3131,2.3196,2.32557,2.33105,2.33605,2.34059,2.34472,2.34844,2.35178,2.35478,2.35745,2.35981,2.36189,2.36371,2.36529,2.36666,2.36782,2.3688,2.36961,2.37026,2.37078,2.37116,2.37143,2.37159,2.37166,2.37163,2.37151,2.37132,2.37105,2.37071,2.3703,2.36982,2.36928,2.36868,2.36802,2.36729,2.3665,2.36565,2.36473,2.36374,2.36269,2.36156,2.36036,2.35908,2.35771,2.35626,2.35471,2.35307,2.35133,2.34948,2.34751,2.34542,2.3432,2.34085,2.33834,2.33568,2.33286,2.32985,2.32664,2.32324,2.3196,2.31573,2.3116,2.30718,2.30246,2.29741,2.292,2.28619,2.27995,2.27324,2.266,2.25819,2.24974}
};
//LS X coefficient for A=atomic weight * 1.05
double ls_X_coefficients_ahi[][200]=
{
{0.999129,0.999075,0.999018,0.998958,0.998894,0.998827,0.998757,0.998682,0.998604,0.998521,0.998434,0.998341,0.998244,0.998142,0.998034,0.997921,0.997801,0.997675,0.997542,0.997401,0.997254,0.997098,0.996934,0.996761,0.996578,0.996386,0.996184,0.995971,0.995746,0.99551,0.99526,0.994998,0.994721,0.99443,0.994124,0.993801,0.993461,0.993103,0.992726,0.992329,0.991911,0.991471,0.991008,0.990521,0.990009,0.98947,0.988902,0.988305,0.987677,0.987017,0.986322,0.985592,0.984824,0.984017,0.983169,0.982277,0.98134,0.980356,0.979322,0.978236,0.977096,0.975898,0.974642,0.973323,0.971939,0.970488,0.968966,0.96737,0.965698,0.963945,0.962109,0.960186,0.958174,0.956067,0.953863,0.951559,0.949149,0.946632,0.944002,0.941257,0.938392,0.935404,0.932288,0.929042,0.925662,0.922143,0.918484,0.914679,0.910727,0.906625,0.902369,0.897957,0.893388,0.888659,0.883768,0.878716,0.873501,0.868122,0.862581,0.856879,0.851016,0.844995,0.838818,0.83249,0.826013,0.819394,0.812637,0.805749,0.798736,0.791608,0.784371,0.777036,0.769613,0.762112,0.754545,0.746923,0.739259,0.731566,0.723857,0.716146,0.708447,0.700773,0.693139,0.685559,0.678046,0.670614,0.663276,0.656045,0.648933,0.641951,0.635111,0.628422,0.621893,0.615533,0.609348,0.603345,0.597528,0.591902,0.586469,0.581232,0.57619,0.571344,0.566692,0.562231,0.557959,0.553871,0.549962,0.546226,0.542656,0.539244,0.535984,0.532865,0.529878,0.527014,0.524263,0.521612,0.519052,0.516569,0.514151,0.511786,0.509459,0.507158,0.504867,0.50257,0.500253,0.497897,0.495486,0.493001,0.490422,0.487728,0.484898,0.481908,0.478732,0.475345,0.471718,0.467821,0.463622,0.459087,0.45418,0.448863,0.443096,0.436836,0.430039,0.422662,0.41466,0.405986,0.396596,0.386449,0.375509,0.363744,0.351135,0.337677,0.323383,0.308294,0.292485,0.276076,0.259248,0.242255,0.225451,0.209311},
{0.999535,0.999484,0.999431,0.999375,0.999315,0.999253,0.999186,0.999116,0.999042,0.998964,0.998882,0.998795,0.998703,0.998606,0.998503,0.998395,0.998281,0.998161,0.998034,0.997899,0.997758,0.997609,0.997451,0.997285,0.99711,0.996925,0.99673,0.996525,0.996308,0.99608,0.995839,0.995585,0.995318,0.995035,0.994738,0.994425,0.994095,0.993747,0.99338,0.992994,0.992587,0.992159,0.991707,0.991232,0.990732,0.990205,0.98965,0.989066,0.988452,0.987805,0.987125,0.986409,0.985656,0.984864,0.984032,0.983156,0.982235,0.981268,0.980251,0.979183,0.97806,0.976882,0.975644,0.974344,0.972981,0.971549,0.970048,0.968473,0.966822,0.965092,0.963278,0.961379,0.95939,0.957307,0.955128,0.952848,0.950464,0.947973,0.94537,0.942651,0.939814,0.936853,0.933766,0.930549,0.927198,0.923709,0.92008,0.916306,0.912385,0.908314,0.90409,0.899711,0.895174,0.890478,0.885621,0.880603,0.875421,0.870077,0.864571,0.858902,0.853074,0.847088,0.840946,0.834653,0.828211,0.821626,0.814904,0.80805,0.801072,0.793977,0.786775,0.779473,0.772082,0.764614,0.757078,0.749487,0.741853,0.734189,0.726509,0.718825,0.711152,0.703503,0.695893,0.688335,0.680843,0.67343,0.66611,0.658895,0.651798,0.644828,0.637998,0.631317,0.624794,0.618437,0.612253,0.606247,0.600425,0.594791,0.589346,0.584094,0.579033,0.574163,0.569484,0.564991,0.560681,0.55655,0.552592,0.548801,0.545169,0.541688,0.53835,0.535145,0.532062,0.529092,0.526223,0.523443,0.520739,0.518097,0.515505,0.512948,0.510411,0.507877,0.50533,0.502753,0.500128,0.497434,0.494651,0.491759,0.488733,0.485551,0.482184,0.478608,0.474791,0.470703,0.466312,0.461581,0.456475,0.450954,0.444977,0.438502,0.431484,0.423878,0.415638,0.406719,0.397077,0.38667,0.375462,0.363425,0.350541,0.336808,0.322243,0.306894,0.290844,0.274221,0.25722,0.240113,0.223273,0.207206,0.192579,0.180267},
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{1.0251,1.02501,1.02499,1.02503,1.02514,1.02531,1.02555,1.02585,1.02622,1.02666,1.02716,1.02774,1.02839,1.02911,1.0299,1.03077,1.03172,1.03275,1.03386,1.03506,1.03635,1.03773,1.0392,1.04077,1.04245,1.04422,1.04611,1.04811,1.05023,1.05248,1.05485,1.05735,1.06,1.06278,1.06572,1.06882,1.07208,1.0755,1.07911,1.0829,1.08688,1.09106,1.09544,1.10004,1.10487,1.10993,1.11523,1.12078,1.1266,1.13268,1.13904,1.14568,1.15263,1.15988,1.16745,1.17535,1.18359,1.19217,1.2011,1.2104,1.22007,1.23012,1.24056,1.25139,1.26263,1.27427,1.28633,1.2988,1.3117,1.32501,1.33876,1.35293,1.36752,1.38253,1.39797,1.41382,1.43007,1.44673,1.46378,1.4812,1.49899,1.51714,1.53561,1.55441,1.5735,1.59287,1.61249,1.63234,1.65238,1.6726,1.69297,1.71344,1.73399,1.75458,1.77518,1.79575,1.81626,1.83667,1.85694,1.87703,1.89691,1.91653,1.93587,1.95488,1.97352,1.99178,2.0096,2.02696,2.04384,2.0602,2.07601,2.09127,2.10595,2.12002,2.13349,2.14633,2.15854,2.17012,2.18106,2.19136,2.20103,2.21008,2.21852,2.22635,2.23359,2.24027,2.24639,2.25198,2.25706,2.26165,2.26578,2.26946,2.27273,2.27561,2.27812,2.28029,2.28214,2.2837,2.28497,2.286,2.28679,2.28736,2.28774,2.28793,2.28796,2.28783,2.28756,2.28716,2.28663,2.286,2.28525,2.2844,2.28345,2.2824,2.28126,2.28004,2.27871,2.2773,2.27579,2.27419,2.27249,2.27068,2.26877,2.26674,2.2646,2.26233,2.25993,2.2574,2.25471,2.25187,2.24886,2.24568,2.24231,2.23874,2.23496,2.23096,2.22671,2.22221,2.21744,2.21238,2.20701,2.20131,2.19526,2.18883,2.182,2.17474,2.16702,2.1588,2.15004,2.14071,2.13076,2.12015,2.1088,2.09668,2.0837,2.06979,2.05487,2.03884,2.0216,2.00303},
{1.02517,1.02506,1.02502,1.02504,1.02512,1.02527,1.02549,1.02577,1.02612,1.02653,1.02701,1.02757,1.02819,1.02888,1.02965,1.0305,1.03142,1.03243,1.03351,1.03468,1.03594,1.03729,1.03873,1.04027,1.04192,1.04366,1.04551,1.04748,1.04957,1.05177,1.0541,1.05657,1.05917,1.06192,1.06481,1.06786,1.07108,1.07446,1.07801,1.08175,1.08568,1.08981,1.09415,1.0987,1.10347,1.10848,1.11373,1.11922,1.12498,1.13101,1.13732,1.14391,1.15081,1.15801,1.16553,1.17339,1.18158,1.19012,1.19901,1.20828,1.21792,1.22795,1.23837,1.2492,1.26043,1.27208,1.28415,1.29665,1.30958,1.32294,1.33674,1.35098,1.36566,1.38078,1.39633,1.41231,1.42871,1.44553,1.46277,1.4804,1.49841,1.51681,1.53555,1.55464,1.57405,1.59376,1.61374,1.63398,1.65444,1.6751,1.69593,1.71689,1.73796,1.75909,1.78026,1.80142,1.82255,1.84359,1.86452,1.8853,1.90588,1.92623,1.9463,1.96607,1.98549,2.00453,2.02316,2.04133,2.05903,2.07622,2.09288,2.10898,2.1245,2.13942,2.15373,2.16741,2.18046,2.19287,2.20464,2.21575,2.22623,2.23607,2.24529,2.25389,2.26189,2.2693,2.27614,2.28243,2.28819,2.29345,2.29823,2.30255,2.30643,2.30991,2.313,2.31573,2.31813,2.32021,2.322,2.32353,2.32481,2.32586,2.3267,2.32735,2.32782,2.32813,2.32829,2.32831,2.32821,2.32799,2.32766,2.32723,2.3267,2.32608,2.32537,2.32458,2.32371,2.32275,2.32171,2.32059,2.31938,2.31809,2.31672,2.31525,2.31369,2.31203,2.31027,2.3084,2.30642,2.30432,2.30209,2.29973,2.29723,2.29457,2.29176,2.28878,2.28562,2.28227,2.27872,2.27495,2.27095,2.26671,2.2622,2.25741,2.25233,2.24692,2.24116,2.23504,2.22851,2.22155,2.21413,2.20621,2.19774,2.18868,2.17897,2.16856,2.15738,2.14536,2.13241,2.11843},
{1.02524,1.02511,1.02504,1.02504,1.0251,1.02523,1.02542,1.02568,1.02601,1.0264,1.02686,1.02738,1.02798,1.02866,1.0294,1.03022,1.03112,1.03209,1.03315,1.03429,1.03552,1.03684,1.03825,1.03976,1.04137,1.04308,1.0449,1.04683,1.04888,1.05104,1.05334,1.05576,1.05832,1.06102,1.06387,1.06687,1.07004,1.07337,1.07688,1.08056,1.08444,1.08852,1.0928,1.09729,1.10201,1.10695,1.11214,1.11758,1.12328,1.12925,1.13549,1.14203,1.14887,1.15601,1.16348,1.17128,1.17942,1.18791,1.19676,1.20598,1.21559,1.22558,1.23598,1.24678,1.258,1.26964,1.28171,1.29422,1.30717,1.32056,1.3344,1.3487,1.36344,1.37864,1.39429,1.41038,1.42692,1.44389,1.46129,1.47911,1.49734,1.51596,1.53496,1.55433,1.57404,1.59407,1.6144,1.63501,1.65588,1.67696,1.69824,1.71968,1.74126,1.76292,1.78465,1.8064,1.82813,1.84982,1.87141,1.89286,1.91415,1.93522,1.95605,1.97658,1.99679,2.01663,2.03607,2.05508,2.07362,2.09166,2.10918,2.12614,2.14253,2.15832,2.17351,2.18806,2.20198,2.21526,2.22788,2.23985,2.25117,2.26185,2.27188,2.28129,2.29008,2.29827,2.30588,2.31292,2.31941,2.32538,2.33086,2.33586,2.3404,2.34452,2.34824,2.35159,2.35458,2.35724,2.3596,2.36168,2.3635,2.36508,2.36644,2.3676,2.36857,2.36938,2.37003,2.37054,2.37092,2.37119,2.37134,2.3714,2.37136,2.37124,2.37103,2.37076,2.37041,2.36999,2.3695,2.36895,2.36834,2.36766,2.36692,2.36612,2.36525,2.36431,2.36331,2.36223,2.36108,2.35986,2.35855,2.35716,2.35568,2.35411,2.35244,2.35067,2.34878,2.34678,2.34465,2.34239,2.33999,2.33744,2.33473,2.33185,2.32878,2.32551,2.32204,2.31833,2.31438,2.31016,2.30565,2.30083,2.29567,2.29014,2.2842,2.27781,2.27094,2.26353,2.25552,2.24686}
};
}
}

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export CATIMAPATH=${PROJECT_BINARY_DIR}
#export PATH=$PATH:$CATIMAPATH/bin
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$CATIMAPATH

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#include "integrator.h"
#include "gsl/gsl_integration.h"
#include "gsl/gsl_errno.h"
namespace catima{
IntegratorGSL integratorGSL;
double funcwrapper3(double x, void *_c){
std::function<double(double)> *f = (std::function<double(double)> *)_c;
return (*f)(x);
}
IntegratorGSL::IntegratorGSL(){
gsl_set_error_handler_off();
w=gsl_integration_workspace_alloc(500);
};
IntegratorGSL::~IntegratorGSL(){
gsl_integration_workspace_free(w);
};
double IntegratorGSL::Integrate(std::function<double(double)> f, double _min, double _max, double prec, bool adaptive){
gsl_function F;
F.function = funcwrapper3;
F.params = &f;
min = _min;
max = _max;
size_t num;
if(adaptive){
#ifdef USE_THREADS
std::lock_guard<std::mutex> lock(integration_mutex);
#endif
gsl_integration_qag(&F,_min,_max,prec,prec,500,6,w,&result,&error);
}
else
gsl_integration_qng(&F,_min,_max,0,prec,&result,&error,&num);
return result;
};
}

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/*
* Author: Andrej Prochazka
* Copyright(C) 2017
* This program is free software: you can redistribute it and/or modify
* it under the terms of the GNU Affero General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU Affero General Public License for more details.
* You should have received a copy of the GNU Affero General Public License
* along with this program. If not, see <http://www.gnu.org/licenses/>.
*/
#ifndef INTEGRATOR_H
#define INTEGRATOR_H
#include "gsl/gsl_integration.h"
#include <functional>
#ifdef USE_THREADS
#include <mutex>
#endif
namespace catima{
/// helper class to integrate functions using the GSL library
class IntegratorGSL{
public:
IntegratorGSL();
~IntegratorGSL();
double Integrate(std::function<double(double)> f, double min, double max, double precision, bool adaptive=true);
private:
gsl_integration_workspace *w;
double error;
double precision;
double result;
double min;
double max;
#ifdef USE_THREADS
std::mutex integration_mutex;
#endif
};
extern IntegratorGSL integratorGSL;
}
#endif

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#include "catima/material_database.h"
#include "catima/nucdata.h"
namespace catima{
Material get_material(int id){
if(id>0 && id<ELEMENT_DENSITY_MAXZ){
return Material(0,id,element_density(id),0.0);
}
switch(id){
case material::PLASTIC : return Material({{0,1,10},{0,6,9}},1.032);
case material::AIR : return Material({{0,7,4}, {0,8,1}},0.0012);
case material::CH2 : return Material({{0,6,1}, {0,1,2}},0.94);
case material::LH2 : return Material({{0,1,1}},0.0708);
case material::LD2 : return Material({{2.014,1,1}},0.162);
case material::WATER : return Material({{0,1,2},{0,8,1}},1.0);
case material::DIAMOND: return Material(0,6,3.52,0.0);
case material::GLASS : return Material({{0,14,1},{0,8,2}},2.4 );
case material::ALMG3: return Material(0,13,2.67,0.0);
case material::ARCO2_30: return Material({{0,18,7},{0,8,6},{0,6,3}}, 0.00171);
case material::CF4 : return Material({{0,6,1},{0,9,4}}, 0.00372 );
case material::ISOBUTANE:return Material({{0,6,4}, {0,1,10}},0.00251);
case material::KAPTON : return Material({{0,1,10}, {0,6,22},{0,7,2},{0,8,5}},1.42);
case material::MYLAR : return Material({{0,6,5}, {0,1,4},{0,8,2}},1.38);
case material::NAF : return Material({{0,11,1}, {0,9,1}},2.56);
case material::P10: return Material({{0,18,9},{0,6,1},{0,1,4}}, 0.00166);
case material::POLYOLEFIN: return Material({{0,1,16},{0,6,10}}, 0.9);
case material::CMO2: return Material({{0,96,1},{0,8,2}}, 12.0);
case material::SUPRASIL : return Material({{0,14,1},{0,8,2}},2.2 );
case material::HAVAR : return Material({{0,27,42},{0,24,40},{0,28,13},{0,26,19},{0,74,1}},8.3);
default:break;
}
return Material();
}
}

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#ifndef MATERIAL_DATABASE
#define MATERIAL_DATABASE
#include "catima/catima.h"
namespace catima{
//namespace material{
enum material{
PLASTIC = 201,
AIR = 202,
CH2,
LH2,
LD2,
WATER,
DIAMOND,
GLASS,
ALMG3,
ARCO2_30,
CF4,
ISOBUTANE,
KAPTON,
MYLAR,
NAF,
P10,
POLYOLEFIN,
CMO2,
SUPRASIL,
HAVAR
};
//}
Material get_material(int);
}
#endif

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#include "nucdata.h"
namespace catima{
double element_atomic_weights[110]={
0.0,
1.00794, //H
4.0026, //He
6.941, //Li
9.01218, //Be
10.811, //B
12.0107, //C
14.0067, //N
15.9994, //O
18.9984, //F
20.1797, //Ne
22.9898, //Na
24.305, //Mg
26.9815, //Al
28.0855, //Si
30.9738, //P
32.065, //S
35.453, //Cl
39.948, //Ar
39.0983, //K
40.078, //Ca
44.9559, //Sc
47.867, //Ti
50.9415, //V
51.9961, //Cr
54.938, //Mn
55.845, //Fe
58.9332, //Co
58.6934, //Ni
63.546, //Cu
65.409, //Zn
69.723, //Ga
72.64, //Ge
74.9216, //As
78.96, //Se
79.904, //Br
83.798, //Kr
85.4678, //Rb
87.62, //Sr
88.9059, //Y
91.224, //Zr
92.9064, //Nb
95.94, //Mo
97.9072, //Tc
101.07, //Ru
102.906, //Rh
106.42, //Pd
107.868, //Ag
112.411, //Cd
114.818, //In
118.71, //Sn
121.76, //Sb
127.6, //Te
126.904, //I
131.293, //Xe
132.905, //Cs
137.327, //Ba
138.905, //La
140.116, //Ce
140.908, //Pr
144.24, //Nd
144.913, //Pm
150.36, //Sm
151.964, //Eu
157.25, //Gd
158.925, //Tb
162.5, //Dy
164.93, //Ho
167.259, //Er
168.934, //Tm
173.04, //Yb
174.967, //Lu
178.49, //Hf
180.948, //Ta
183.84, //W
186.207, //Re
190.23, //Os
192.217, //Ir
195.078, //Pt
196.967, //Au
200.59, //Hg
204.383, //Tl
207.2, //Pb
208.98, //Bi
208.982, //Po
209.987, //At
222.018, //Rn
223.02, //Fr
226.025, //Ra
227.028, //Ac
232.038, //Th
231.036, //Pa
238.029, //U
237.048, //Np
244.064, //Pu
243.061, //Am
247.07, //Cm
247.07, //Bk
251.08, //Cf
252.083, //Es
257.095, //Fm
258.098, //Md
259.101, //No
262.11, //Lr
261.109, //Rf
262.114, //Db
266.122, //Sg
264.125, //Bh
269.134, //Hs
268.139 //Mt
};
double element_densities[99]={
0.0,
8.37480e-5, // 1,
1.66322e-4, // 2,
0.534 , // 3,
1.848 , // 4,
2.37 , // 5,
2.0 ,// 6,
1.16520e-3, // 7,
1.33151e-3, // 8,
1.58029e-3, // 9,
8.38505e-4, // 10,
0.971 , // 11,
1.74 , // 12,
2.699 , //13,
2.33 , // 14,
2.2 , //15,
2.0 , //16,
2.99473e-3, //17,
1.66201e-3, //18,
0.862 , //19,
1.55 , //20,
2.989 , //21,
4.54 , //22,
6.11 , //23,
7.18 , //24,
7.44 , //25,
7.874 , //26,
8.9 , //27,
8.902 , //28,
8.96 , //29,
7.133 , //30,
5.904 , //31,
5.323 , //32,
5.73 , //33,
4.5 , //34,
3.1028 , //7.07210e-3, //35,
3.47832e-3, //36,
1.532 , //37,
2.54 , //38,
4.469 , //39,
6.506 , //40,
8.57 , //41,
10.22 , //42,
11.50 , //43,
12.41 , //44,
12.41 , //45,
12.02 , //46,
10.5 , //47,
8.65 , //48,
7.31 , //49,
7.31 , //50,
6.691 , //51,
6.24 , //52,
4.93 , //53,
5.48536e-3, //54,
1.873 , //55,
3.5 , //56,
6.154 , //57,
6.657 , //58,
6.71 , //59,
6.9 , //60,
7.22 , //61,
7.46 , //62,
5.243 , //63,
7.9004 , //64,
8.229 , //65,
8.55 , //66,
8.795 , //67,
9.066 , //68,
9.321 , //69,
6.73 , //70,
9.84 , //71,
13.31 , //72,
16.654 , //73,
19.30 , //74,
21.02 , //75,
22.57 , //76,
22.42 , //77,
21.45 , //78,
19.32 , //79,
13.546 , //80,
11.72 , //81,
11.35 , //82,
9.747 , //83,
9.32 , //84,
9.32 , //85
9.00662e-3, //86
1.00 , //87
5.00 , //88
10.07 , //89
11.72 , //90
15.37 , //91
18.95 , //92
20.25 , //93
19.84 , //94
13.67 , //95
13.51 , //96
14.00 , //97
10.00 //98
};
}

39
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/*
* Author: Andrej Prochazka
* Copyright(C) 2017
* This program is free software: you can redistribute it and/or modify
* it under the terms of the GNU Affero General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU Affero General Public License for more details.
* You should have received a copy of the GNU Affero General Public License
* along with this program. If not, see <http://www.gnu.org/licenses/>.
*/
#ifndef nucdata_h
#define nucdata_h
#define ATOMIC_WEIGHT_MAXZ 110
#define ELEMENT_DENSITY_MAXZ 99
namespace catima{
extern double element_atomic_weights[110];
extern double element_densities[99];
inline double element_atomic_weight(int z){
return (z>0 && z<110)?element_atomic_weights[z]:0.0;
}
inline double element_density(int z){
return (z>0 && z<99)?element_densities[z]:0.0;
}
}
#endif

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setup.py.in Normal file
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from distutils.core import setup
from distutils.extension import Extension
from Cython.Build import cythonize
setup(
ext_modules = cythonize(
[Extension("catima", ["catima.pyx"],
language="c++",
#libraries=[${EXTRA_PYTHON_LIBS}],
include_dirs=["${CMAKE_CURRENT_BINARY_DIR}/include"],
extra_objects=["${CATIMA_LIB}"],
extra_compile_args=["-std=c++14"],
extra_link_args=["-std=c++14"]
),
])
)

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#include <math.h>
#include <iostream>
#include "storage.h"
namespace catima {
Data _storage;
bool operator==(const DataPoint &a, const DataPoint &b){
if( (a.m == b.m) && (a.p == b.p) && (a.config == b.config)){
return true;
}
else{
return false;
}
}
DataPoint::~DataPoint(){
}
Data::Data(){
//storage.reserve(max_storage_data);
storage.resize(max_storage_data);
index = storage.begin();
}
Data::~Data(){
}
void Data::Add(const Projectile &p, const Material &t, Config c){
DataPoint dp(p,t,c);
for(auto &e:storage){
if(e==dp)return;
}
if(index==storage.end())index=storage.begin();
#if(0)
*index = dp;
index->range = calculate_range(p,t,c);
index->range_straggling = calculate_range_straggling(p,t,c);
index->angular_variance = calculate_angular_variance(p,t,c);
#else
*index = calculate_DataPoint(p,t,c);
#endif
index++;
}
DataPoint& Data::Get(const Projectile &p, const Material &t, Config c){
for(auto &e:storage){
if( (e.p==p) && (e.m==t) && (e.config==c)){
return e;
}
}
Add(p,t,c);
//return storage.back();
return *std::prev(index);
}
//////////// Interpolator ////////////////////////////////
Interpolator::Interpolator(const double *x, const double *y, int num,interpolation_t type){
acc = gsl_interp_accel_alloc ();
if(type==cspline)
spline = gsl_spline_alloc (gsl_interp_cspline, num);
else
spline = gsl_spline_alloc (gsl_interp_linear, num);
gsl_spline_init (spline, x, y, num);
min= x[0];
max= x[num-1];
}
Interpolator::Interpolator(const std::vector<double>& x, const std::vector<double>& y,interpolation_t type){
//Interpolator(x.data(),y.data(),x.size());
acc = gsl_interp_accel_alloc ();
if(type==cspline)
spline = gsl_spline_alloc (gsl_interp_cspline, x.size());
else
spline = gsl_spline_alloc (gsl_interp_linear, x.size());
gsl_spline_init (spline, x.data(), y.data(), x.size());
min= x[0];
max= x[x.size()-1];
}
Interpolator::~Interpolator(){
gsl_interp_accel_free (acc);
gsl_spline_free (spline);
}
double Interpolator::eval(double x){
if(x<min)x=min;
if(x>max)x=max;
return gsl_spline_eval(spline, x, acc);
}
double Interpolator::derivative(double x){
if(x<min)x=min;
if(x>max)x=max;
return gsl_spline_eval_deriv (spline, x, acc);
}
}

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/*
* Author: Andrej Prochazka
* Copyright(C) 2017
* This program is free software: you can redistribute it and/or modify
* it under the terms of the GNU Affero General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU Affero General Public License for more details.
* You should have received a copy of the GNU Affero General Public License
* along with this program. If not, see <http://www.gnu.org/licenses/>.
*/
#ifndef STORAGE
#define STORAGE
#include <vector>
#include <iterator>
//#include <unordered_set>
#include <gsl/gsl_spline.h>
#include "catima/constants.h"
#include "catima/catima.h"
namespace catima{
enum interpolation_t {cspline, linear};
//inline double energy_function( int i ) { return exp(M_LN10*(logEmin + ((double)i)*(logEmax-logEmin)/(max_datapoints - 1.0))); }
enum DataType{TYPE_RANGE,TYPE_LS};
template<int N>
struct EnergyTable{
constexpr EnergyTable(double logmin, double logmax):values(),step(0.0),num(N){
step = (logmax-logmin)/(N - 1.0);
for(auto i=0;i<N;i++){
values[i]=exp(M_LN10*(logmin + ((double)i)*step));
}
}
double operator()(int i)const{return values[i];}
double values[N];
double step;
std::size_t num;
};
template<int N>
int EnergyTable_index(const EnergyTable<N> &table, double val){
val = log(val)/M_LN10;
if(val<table.values[0] || val>table.values[table.num-1])return -1;
int i = (int)val/table.step;
//double x = 1.0 - ((val - table.valuesp[i])/table.step);
return i;
}
template<int N>
double EnergyTable_interpolate(const EnergyTable<N> &table, double xval, double *y){
double r;
double lxval = log(xval)/M_LN10;
if(lxval<table.values[0] || lxval>table.values[table.num-1])return 0.0;
if(lxval==table.values[table.num-1])return y[table.num-1];
int i = (int)(lxval/table.step);
double linstep = table.values[i+1] - table.values[i];
double x = 1.0 - ((xval - table.values[i])/linstep);
r = (x*y[i]) + ((1-x)*y[i+1]);
return r;
}
/*
template<int N>
struct EnergyTableLinear{
constexpr EnergyTableLinear():values(),num(N){
for(auto i=0;i<N;i++){
values[i]=exp(M_LN10*(logEmin + ((double)i)*(logEmax-logEmin)/(N - 1.0)));
}
}
double operator()(int i)const{return values[i];}
double values[N];
std::size_t num;
};
*/
constexpr EnergyTable<max_datapoints> energy_table(logEmin,logEmax);
class DataPoint{
public:
Projectile p;
Material m;
Config config;
std::vector<double> range;
std::vector<double> range_straggling;
std::vector<double> angular_variance;
DataPoint(){};
DataPoint(const Projectile _p, const Material _m,Config _c=default_config):p(_p),m(_m),config(_c){};
~DataPoint();
friend bool operator==(const DataPoint &a, const DataPoint &b);
};
class Data{
public:
Data();
~Data();
void Add(const Projectile &p, const Material &t, Config c=default_config);
int GetN() const {return storage.size();};
void Reset(){storage.clear();storage.resize(max_storage_data);};
DataPoint& Get(const Projectile &p, const Material &t, Config c=default_config);
int get_index() {return std::distance(storage.begin(),index);}
private:
std::vector<DataPoint> storage;
std::vector<DataPoint>::iterator index;
};
/// Interpolation class, to store interpolated values
class Interpolator{
public:
Interpolator(const double *x, const double *y, int num,interpolation_t type=cspline);
Interpolator(const std::vector<double>& x, const std::vector<double>& y,interpolation_t type=cspline);
~Interpolator();
double operator()(double x){return eval(x);};
double eval(double x);
double derivative(double x);
double get_min(){return min;};
double get_max(){return max;};
private:
double min=0;
double max=0;
gsl_interp_accel *acc;
gsl_spline *spline;
};
extern Data _storage;
inline DataPoint& get_data(const Projectile &p, const Material &t, Config c=default_config){
return _storage.Get(p, t, c);
}
bool operator==(const DataPoint &a, const DataPoint &b);
}
#endif

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#include "structures.h"
#include "catima/nucdata.h"
namespace catima{
bool operator==(const Projectile &a, const Projectile&b){
if( (a.A==b.A) && (a.Z==b.Z) && (a.Q==b.Q)){
return true;
}
else
return false;
}
bool operator==(const Material &a, const Material&b){
if(a.molar_mass != b.molar_mass)return false;
if(a.density() != b.density())return false;
if(a.ncomponents() != b.ncomponents())return false;
for(int i=0;i<a.ncomponents();i++){
if(a.stn[i] != b.stn[i])return false;
if(a.atoms[i].A != b.atoms[i].A)return false;
if(a.atoms[i].Z != b.atoms[i].Z)return false;
}
return true;
}
/*
Material::Material(const std::array<double,2> &list){
add_element(list[0],list[1],1.0);
}
*/
Material::Material(std::initializer_list<std::array<double,3>>list,double _density):rho(_density){
std::initializer_list<std::array<double,3>>::iterator it;
for ( it=list.begin(); it!=list.end(); ++it){
add_element( (*it)[0],(*it)[1],(*it)[2]);
}
}
Material::Material(double _a, int _z, double _rho, double _th):rho(_rho),th(_th){
add_element(_a,_z,1.0);
}
void Material::add_element(double _a, int _z, double _stn){
double a = (_a>0)?_a:element_atomic_weight(_z);
stn.push_back(_stn);
atoms.push_back({a,_z});
molar_mass += _stn*a;
}
std::pair<Target,double> Material::get_element(int i) const{
return std::pair<Target,double>(atoms[i],stn[i]);
}
/*
void Material::calculate(){
molar_mass = 0;
for(int i=0;i<ncomponents();i++){
molar_mass += stn[i]*a[i];
}
}
*/
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){
materials.push_back(m);
}
Layers operator+(const Layers &a, const Layers&b){
Layers res;
for(auto &e:a.materials){
res.add(e);
}
for(auto &e:b.materials){
res.add(e);
}
return res;
}
Layers operator+(const Layers &a, const Material &m){
Layers res;
for(auto &e:a.materials){
res.add(e);
}
res.add(m);
}
}

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/*
* Author: Andrej Prochazka
* Copyright(C) 2017
* This program is free software: you can redistribute it and/or modify
* it under the terms of the GNU Affero General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU Affero General Public License for more details.
* You should have received a copy of the GNU Affero General Public License
* along with this program. If not, see <http://www.gnu.org/licenses/>.
*/
#ifndef STRUCTURES_H
#define STRUCTURES_H
#include <vector>
#include <array>
#include <initializer_list>
namespace catima{
/**
* Projectile class
* Example usage:
* \code{.cpp}
* Projectile p(12,6);
* p.T = 1000; // setting energy to 1000 MeV/u
* p(1000); // setting energy to 1000 MeV/u
* \endcode
*/
struct Projectile{
double A=0;
double Z=0;
double Q=0;
double T=0;
Projectile& operator()(double e){T=e;return *this;}
Projectile(){}
Projectile(double a, double z, double q=0, double t=0):A(a),Z(z),Q(q),T(t){if(q==0)Q=Z;}
};
bool operator==(const Projectile &a, const Projectile&b);
/**
* Target class is used to store constituents of the Material class
* its just to hold A,Z data for individual atoms.
*/
struct Target{
double A=0;
int Z=0;
};
/**
* Material
* class to store Material information
* This class defines the material with which projectile will interact.
* The class store nuclei constituents, density, thickness etc.
*/
class Material{
private:
double rho=0;
double th=0;
double molar_mass=0;
std::vector<Target>atoms;
std::vector<double>stn;
public:
Material(){};
/**
* constructor to add 1 element into the Material, stn number of the element is set to 1.0
* @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 _rho - density of the material in g/cm3, default 0.0
* @param _th - thickness of the material in g/cm2, default 0.0
*/
Material(double _a, int _z, double _rho=0.0, double _th=0.0);
/**
* constructor to add 1 or multiple element into the Material
* \code{.cpp}
* Maetrial water({
{1,1,2},
{16,8,1},
});
* \endcode
*/
Material(std::initializer_list<std::array<double,3>>list,double _density=0.0);
//Material(const std::array<double,2> &list);
void calculate();
/**
* 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 _z - proton number of the atom
* @param _stn - stoichiomatric number
*/
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
* @param i - index of element to return
* @return std::pair of Target and corresponding stoichiometric number
*/
std::pair<Target,double> get_element(int i) const;
/**
* @return number of components in Material
*/
int ncomponents() const {return stn.size();}
/**
* @return returns Molar Mass of the Material
*/
double M() const {return molar_mass;}
/**
* @return returns density in g/cm^3
*/
double density() const {return rho;};
/**
* sets density in g/cm^3
*/
Material& density(double val){rho = val;return *this;};
/**
* @return returns thickness in g/cm^2
*/
double thickness() const {return th;};
/**
* sets thickness in g/cm^2
*/
Material& thickness(double val){th = val;return *this;};
friend bool operator==(const Material &a, const Material&b);
};
bool operator==(const Material &a, const Material&b);
/**
* structure to store results for calculation per Material
*/
struct Result{
double Ein=0.0;
double Eout=0.0;
double Eloss = 0.0;
double range=0.0;
double dEdxi=0.0;
double dEdxo=0.0;
double sigma_E=0.0;
double sigma_a=0.0;
double sigma_r=0.0;
double tof=0.0;
};
/**
* structure to store results for calculation for multiple layers of materials, ie in catima::Layers
*/
struct MultiResult{
std::vector<Result> results;
Result total_result;
};
/**
* Layers
* class to store multiple material layers
*/
class Layers{
private:
std::vector<Material> materials;
public:
Layers(){};
Layers& operator=(const Layers& other);
/**
* @return reference to the std::vector of stored Materials
*/
const std::vector<Material>& get_materials()const{return materials;}
/**
* add Material m to the Layers
* @param m Material
*/
void add(Material m);
/**
* @return number of stored Materials
*/
int num()const{return materials.size();};
Material& operator[](int i){return materials[i];}
friend Layers operator+(const Layers &a, const Layers&b);
friend Layers operator+(const Layers &a, const Material&b);
};
}
#endif

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add_definitions(-Dlest_FEATURE_COLOURISE=1)
include_directories(${CMAKE_CURRENT_SOURCE_DIR}/tests)
set(CATIMA_TESTS test_calculations test_generated test_storage test_structures test_dedx_range)
foreach(entry ${CATIMA_TESTS})
add_executable(${entry} ${entry}.cpp)
target_link_libraries(${entry} catima)
endforeach(entry in ${CATIMA_TESTS})
set(C_TESTS test_c)
MESSAGE( STATUS "CMAKE_C_COMPILER: " ${CMAKE_C_COMPILER} )
foreach(entry ${C_TESTS})
add_executable(${entry} ${entry}.c)
target_link_libraries(${entry} catima)
endforeach(entry in ${C_TESTS})

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#include <stdio.h>
#include <math.h>
#include "catima/cwrapper.h"
void expect(int r,const char *title){
if(r){
printf("\033[1;32mpassed\033[0m %s\n",title);
}
else
{
printf("\033[1;31mfailed\033[0m %s\n",title);
}
};
int main()
{
CatimaResult r;
double dif;
r = catima_calculate(12,6,500,12,6,1.0,2.0);
dif = r.dEdxi - 87.78;
expect(fabs(dif)<0.5,"dEdx");
dif = r.Eloss - 88.05;
expect(fabs(dif)<0.5,"Eloss");
dif = r.sigma_a - 1.31e-3;
expect(fabs(dif)<0.5,"sigma_a");
dif = r.sigma_E - 0.18;
expect(fabs(dif)<0.01,"sigma_e");
dif = r.range - 43.7;
expect(fabs(dif)<0.5,"range");
r = catima_calculate(12,6,1000,0,206,1.0,1.0);
dif = r.Eloss - 80.75;
expect(fabs(dif)<1,"Eloss");
return 1.0;
}

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#include "lest.hpp"
#include <math.h>
using namespace std;
#include "catima/catima.h"
using lest::approx;
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("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;
EXPECT( fabs(dif)< 1);
p.T = 1/p.A; //1MeV
dif = catima::dedx_n(p,carbon) - 2.161;
EXPECT( fabs(dif)< 0.1);
p.T = 10/p.A; //10MeV
dif = catima::dedx_n(p,carbon) - 0.2874;
EXPECT( fabs(dif) < 0.01);
p.T = 100/p.A; //100MeV
dif = catima::dedx_n(p,carbon) - 0.03455;
EXPECT( fabs(dif) < 0.001);
},
CASE("proton stopping power from srim"){
catima::Projectile p{1,1,1,1};
catima::Target he{4.002600,2};
catima::Target carbon{12.0107,6};
double dif,dif2;
dif = catima::sezi_p_se(1,he) - 283;
EXPECT( fabs(dif)< 1);
p.T = 1;
dif2 = catima::sezi_p_se(p.T,he) - catima::sezi_dedx_e(p,he);
EXPECT( fabs(dif2)< 0.000001);
dif = catima::sezi_p_se(10,he) - 45.6;
EXPECT( fabs(dif)< 1);
p.T = 10;
dif2 = catima::sezi_p_se(p.T,he) - catima::sezi_dedx_e(p,he);
EXPECT( fabs(dif2)< 0.000001);
dif = catima::sezi_p_se(30,he) - 18.38;
EXPECT( fabs(dif)< 1);
p.T = 30;
dif2 = catima::sezi_p_se(p.T,he) - catima::sezi_dedx_e(p,he);
EXPECT( fabs(dif2)< 0.000001);
dif = catima::sezi_p_se(1,carbon) - 229.5;
EXPECT( fabs(dif)< 1);
p.T = 1;
dif2 = catima::sezi_p_se(p.T,he) - catima::sezi_dedx_e(p,he);
EXPECT( fabs(dif2)< 0.000001);
dif = catima::sezi_p_se(10,carbon) - 40.8;
EXPECT( fabs(dif)< 1);
p.T = 10;
dif2 = catima::sezi_p_se(p.T,he) - catima::sezi_dedx_e(p,he);
EXPECT( fabs(dif2)< 0.000001);
dif = catima::sezi_p_se(30,carbon) - 16.8;
EXPECT( fabs(dif)< 1);
p.T = 30;
dif2 = catima::sezi_p_se(p.T,he) - catima::sezi_dedx_e(p,he);
EXPECT( fabs(dif2)< 0.000001);
},
CASE("dedx, low energy, from sezi"){
catima::Projectile p{4,2,2,1};
catima::Target carbon{12.0107,6};
double dif;
double exp;
// He projectile case
p.T = 1;
EXPECT( rcompare( catima::dedx(p,carbon), 922.06, 0.0001) );
p.T = 3;
EXPECT( rcompare( catima::dedx(p,carbon), 433.09, 0.0001) );
// C projectile case
p.A = 12;
p.Z = 6;
p.T = 1;
EXPECT( rcompare( catima::dedx(p,carbon), 5792.52, 0.0001) );
p.T = 9.9;
EXPECT( rcompare( catima::dedx(p,carbon), 1485.36, 0.0001) );
},
CASE("LS check: deltaL values"){
catima::Projectile p{238,92,92,1};
catima::Target carbon{12.0107,6};
p.T = 93.1494;
EXPECT( rcompare( catima::bethek_lindhard(p), -0.5688, 0.01) );
p.T = 380.9932;
EXPECT( rcompare( catima::bethek_lindhard(p), 0.549199, 0.02) );
p.T = 996.9855;
EXPECT( rcompare( catima::bethek_lindhard(p), 1.0732, 0.03) );
p.T = 2794.4822;
EXPECT( rcompare( catima::bethek_lindhard(p), 1.358964, 0.02) );
},
CASE("LS check: straggling values"){
catima::Projectile p{238,92,92,1};
catima::Target carbon{12.0107,6};
auto f = [&](){return catima::bethek_lindhard_X(p);};
p.T = 93.1494;
EXPECT( rcompare( f(), 1.56898, 0.01) );
p.T = 380.9932;
EXPECT( rcompare( f(), 1.836008, 0.01) );
p.T = 996.9855;
EXPECT( rcompare( f(), 1.836528, 0.03) );
p.T = 2794.4822;
EXPECT( rcompare( f(), 1.768018, 0.02) );
},
CASE("dEdx for compunds"){
catima::Projectile p{1,1,1,1000};
catima::Material water({
{1.00794,1,2},
{15.9994,8,1}
});
double dif;
dif = catima::dedx(p,1000, water) - 2.23;
EXPECT( fabs(dif) < 0.002);
dif = catima::dedx(p,500,water) - 2.76;
EXPECT( fabs(dif) < 0.005);
dif = catima::dedx(p,9,water) - 51.17;
EXPECT( fabs(dif) < 0.005);
},
CASE("dEdx from spline vs dEdx"){
catima::Projectile p{238,92,92,1000};
catima::Material graphite({
{12.011,6,1},
});
double dif;
auto res = catima::calculate(p(1000),graphite);
dif = (catima::dedx(p,1000, graphite) - res.dEdxi)/res.dEdxi;
EXPECT(dif == approx(0).epsilon(0.001) );
res = catima::calculate(p,graphite,500);
dif = catima::dedx(p,500,graphite) - res.dEdxi;
EXPECT(dif/res.dEdxi == approx(0).epsilon(0.001) );
res = catima::calculate(p,graphite,9);
dif = catima::dedx(p,9,graphite) - res.dEdxi;
EXPECT(dif/res.dEdxi == approx(0).epsilon(0.001) );
},
// CASE("dOmega2dx Ferisov 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);
double dif;
auto res = catima::calculate(p,graphite);
dif = res.Eout - 997.077;
EXPECT( fabs(dif) < 0.01);
},
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;
EXPECT( fabs(dif) < 0.01);
},
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);
EXPECT(res.Eout == 0.0);
EXPECT(res.Eloss == 1000*12);
EXPECT(res.sigma_E == 0.0);
EXPECT(res.sigma_a == 0.0);
EXPECT(res.sigma_r > 0.0);
EXPECT(res.dEdxo == 0.0);
EXPECT(res.tof == 0.0);
catima::Layers mat;
mat.add(water);
auto res2= catima::calculate(p,mat);
EXPECT(res2.results.size() == 1);
EXPECT(res2.total_result.Eout == res2.results[0].Eout);
EXPECT(res2.total_result.Eout == 0.0);
EXPECT(res2.total_result.Eloss == 1000*12);
EXPECT(res2.total_result.sigma_E == 0.0);
EXPECT(res2.total_result.sigma_a == 0.0);
EXPECT(res2.total_result.tof == 0.0);
},
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);
EXPECT(res.Eout == res2.Eout);
EXPECT(res.Eloss == res2.Eloss);
EXPECT(res.sigma_E == res2.sigma_E);
EXPECT(res.sigma_a == res2.sigma_a);
EXPECT(res.sigma_r == res2.sigma_r);
EXPECT(res.dEdxo == res2.dEdxo);
EXPECT(res.tof == res2.tof);
},
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);
EXPECT(res1.Eout == res2.Eout);
EXPECT(res1.Eloss == res2.Eloss);
EXPECT(res1.sigma_E == res2.sigma_E);
EXPECT(res1.sigma_a == res2.sigma_a);
EXPECT(res1.sigma_r == res2.sigma_r);
EXPECT(res1.dEdxo == res2.dEdxo);
EXPECT(res1.tof == res2.tof);
auto ra = catima::angular_straggling_from_E(p,res1.Ein,res1.Eout,graphite);
EXPECT(res1.sigma_a == ra);
auto re = catima::energy_straggling_from_E(p,res1.Ein,res1.Eout,graphite);
EXPECT(res1.sigma_E == re);
auto eo1 = catima::energy_out(p,1000,graphite);
EXPECT(res1.Eout == eo1);
auto de1 = catima::dedx_from_range(p,1000,graphite);
EXPECT(res1.dEdxi == de1);
},
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);
EXPECT(rcompare(res.total_result.Eout,926.3,0.01));
EXPECT(rcompare(res.total_result.sigma_a,0.00269,0.1));
EXPECT(rcompare(res.total_result.tof,0.402,0.01));
EXPECT(rcompare(res.total_result.Eloss,884.218,0.01));
//EXPECT(rcompare(res.total_result.sigma_E,0.7067,0.2));
EXPECT(rcompare(res.results[0].Eout,932.24,0.01));
EXPECT(rcompare(res.results[0].sigma_a,0.00258,0.1));
EXPECT(rcompare(res.results[0].range,107.163,0.01));
EXPECT(rcompare(res.results[1].Eout,926.3,0.01));
EXPECT(rcompare(res.results[1].sigma_a,0.000774,0.1));
EXPECT(rcompare(res.results[1].range,110.715,0.01));
auto res0 = catima::calculate(p(1000),water);
EXPECT(res0.Eout == res.results[0].Eout);
EXPECT(res0.sigma_a == res.results[0].sigma_a);
EXPECT(res0.sigma_E == res.results[0].sigma_E);
EXPECT(res0.sigma_r == res.results[0].sigma_r);
EXPECT(res0.tof == res.results[0].tof);
}
};
int main( int argc, char * argv[] )
{
return lest::run( specification, argc, argv );
}

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#include <iostream>
#include <fstream>
#include <string>
#include <cstdlib>
#include <utility>
#include <vector>
#include "catima/catima.h"
using std::cout;
using std::endl;
double logEmax = catima::logEmax;
double logEmin = catima::logEmin;
template<int N>
struct EnergyTable{
constexpr EnergyTable():values(),num(N){
for(auto i=0;i<N;i++){
values[i]=exp(M_LN10*(logEmin + ((double)i)*(logEmax-logEmin)/(N - 1.0)));
}
}
double operator()(int i)const{return values[i];}
double values[N];
std::size_t num;
};
bool expect(bool r,std::string title=""){
if(r){
if(title.size()>0)
cout << "\033[1;32mpassed\033[0m "<<title<<endl;
}
else
{
cout << "\033[1;31m failed\033[0m "<<title<<endl;
}
return r;
}
double rdif(double v1, double v2){
return (v1-v2)/v2;
}
void comp_dedx(catima::Projectile p, catima::Material t, double epsilon = 0.001, bool fout=false, const char* fname=""){
double dif;
//struct atima_results results;
int tz = t.get_element(0).first.Z;
double ta = t.get_element(0).first.A;
bool res;
cout<<"-----------------------------"<<endl;
cout<<"projectile: A = "<<p.A<<", Z = "<<p.Z<<endl;
cout<<"target: A = "<<ta<<", Z = "<<tz<<endl;
EnergyTable<100> etable;
std::ofstream f;
if(fout){
f.open(fname,std::ofstream::out | std::ofstream::trunc);
}
double v1, v2;
for(auto _e : etable.values){
p.T = _e;
v1 = catima::dedx(p,_e,t);
auto ares = catima::calculate(p(_e),t);
v2 = ares.dEdxi;
dif = rdif(v1,v2);
cout<<"T = "<<_e<<endl;
cout<<v1 << " vs "<<v2<<" -> rel. dif = "<<dif<<endl;
if(fout){
f<<_e<<" "<<v1<<" "<<v2<<std::endl;
}
res = expect(fabs(dif)<epsilon,"");
if(!res)exit(0);
}
if(fout){
f.close();
}
}
int main(){
catima::Projectile p{1,1};
catima::Projectile c{12,6};
catima::Projectile u{238,92};
catima::Material c_target(12.011,6);
catima::Material h_target(1.00794,1);
catima::Material pb_target(207.2,82);
catima::Material water(
{{1,1,2},
{16,8,1}
});
c_target.thickness(0.5);
c_target.density(2.0);
h_target.density(0.001);
h_target.thickness(10.0);
pb_target.density(11.0);
pb_target.thickness(0.1);
water.density(1.0);
water.thickness(1.0);
std::vector<std::pair<double,int>> projectiles = {{1,1},{4,2},{12,6},{238,92}};
bool fwrite = false;
double eps = 0.01;
comp_dedx(p,c_target,eps,fwrite,"dedx_p_c.dat");
comp_dedx(p,h_target,eps,fwrite,"dedx_p_h.dat");
comp_dedx(p,water,eps,fwrite,"dedx_p_water.dat");
comp_dedx(p,pb_target,eps,fwrite,"dedx_p_pb.dat");
comp_dedx(c,c_target,eps,fwrite,"dedx_c_c.dat");
comp_dedx(c,h_target,eps,fwrite,"dedx_c_h.dat");
comp_dedx(c,water,eps,fwrite,"dedx_c_water.dat");
comp_dedx(c,pb_target,eps,fwrite,"dedx_c_pb.dat");
comp_dedx(u,c_target,eps,fwrite,"dedx_u_c.dat");
comp_dedx(u,h_target,eps,fwrite,"dedx_u_h.dat");
comp_dedx(u,water,eps,fwrite,"dedx_u_water.dat");
comp_dedx(u,pb_target,eps,fwrite,"dedx_u_pb.dat");
return 0;
}

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#include "lest.hpp"
#include <math.h>
#include "catima/catima.h"
//#include "nucdata.h"
using namespace std;
using lest::approx;
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("LS generated is equal to calculated"){
catima::Projectile p;
double a,b;
p.A = 238;
p.Z = 92;
for(double e:{100.0,1000.0,5000.0,30000.0}){
p.T = e;
a = catima::bethek_lindhard(p);
b = catima::precalculated_lindhard(p);
EXPECT(a==approx(b).epsilon(0.001));
}
p.A = 220;
p.Z = 92;
for(double e:{100.0,1000.0,5000.0,30000.0}){
p.T = e;
a = catima::bethek_lindhard(p);
b = catima::precalculated_lindhard(p);
EXPECT(a==approx(b).epsilon(0.01));
}
p.A = 250;
p.Z = 92;
for(double e:{100.0,1000.0,5000.0,30000.0}){
p.T = e;
a = catima::bethek_lindhard(p);
b = catima::precalculated_lindhard(p);
EXPECT(a==approx(b).epsilon(0.01));
}
p.A = 200;
p.Z = 76;
for(double e:{100.0,1000.0,5000.0,30000.0}){
p.T = e;
a = catima::bethek_lindhard(p);
b = catima::precalculated_lindhard(p);
EXPECT(a==approx(b).epsilon(0.01));
}
p.A = 100;
p.Z = 50;
for(double e:{100.0,1000.0,5000.0,30000.0}){
p.T = e;
a = catima::bethek_lindhard(p);
b = catima::precalculated_lindhard(p);
EXPECT(a==approx(b).epsilon(0.01));
}
},
CASE("LS X generated is equal to calculated"){
catima::Projectile p;
double a,b;
p.A = 238;
p.Z = 92;
for(double e:{90.0,1000.0,5000.0,30000.0}){
p.T = e;
a = catima::bethek_lindhard_X(p);
b = catima::precalculated_lindhard_X(p);
EXPECT(a==approx(b).epsilon(0.001));
}
p.A = 220;
p.Z = 92;
for(double e:{100.0,1000.0,5000.0,30000.0}){
p.T = e;
a = catima::bethek_lindhard_X(p);
b = catima::precalculated_lindhard_X(p);
EXPECT(a==approx(b).epsilon(0.02));
}
p.A = 250;
p.Z = 92;
for(double e:{100.0,1000.0,5000.0,30000.0}){
p.T = e;
a = catima::bethek_lindhard_X(p);
b = catima::precalculated_lindhard_X(p);
EXPECT(a==approx(b).epsilon(0.03));
}
p.A = 200;
p.Z = 76;
for(double e:{100.0,1000.0,5000.0,30000.0}){
p.T = e;
a = catima::bethek_lindhard_X(p);
b = catima::precalculated_lindhard_X(p);
EXPECT(a==approx(b).epsilon(0.03));
}
p.A = 100;
p.Z = 50;
for(double e:{100.0,1000.0,5000.0,30000.0}){
p.T = e;
a = catima::bethek_lindhard_X(p);
b = catima::precalculated_lindhard_X(p);
EXPECT(a==approx(b).epsilon(0.03));
}
}
};
int main( int argc, char * argv[] )
{
return lest::run( specification, argc, argv );
}

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#include "lest.hpp"
#include <math.h>
using namespace std;
#include "catima/catima.h"
#include "catima/storage.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("datapoints equal operator"){
catima::Projectile p{12,6,6,1000};
catima::Material water({
{1,1,2},
{16,8,1}
});
catima::Material graphite({
{12,6,1}
});
catima::DataPoint a(p,water);
catima::DataPoint b(p,water);
catima::DataPoint c(p,graphite);
catima::DataPoint d;
d = c;
EXPECT(a == b);
EXPECT(!(a==c));
EXPECT(d == c);
EXPECT(!(d==b));
d = a;
EXPECT(!(d==c));
EXPECT(d==b);
},
CASE("storage add"){
catima::Projectile p{12,6,6,1000};
catima::Material water({
{1,1,2},
{16,8,1}
});
catima::Material graphite({
{12,6,1}
});
catima::_storage.Reset();
EXPECT(catima::_storage.get_index()==0);
catima::_storage.Add(p,water);
EXPECT(catima::_storage.get_index()==1);
catima::_storage.Add(p,water);
EXPECT(catima::_storage.get_index()==1);
catima::_storage.Add(p,graphite);
EXPECT(catima::_storage.get_index()==2);
catima::_storage.Add(p,graphite);
EXPECT(catima::_storage.get_index()==2);
},
CASE("energy table"){
double step = (catima::logEmax - catima::logEmin)/(catima::max_datapoints-1);
EXPECT(catima::energy_table.step==step);
EXPECT(catima::energy_table.values[0]==exp(M_LN10*(catima::logEmin)));
EXPECT(catima::energy_table.values[1]==exp(M_LN10*(catima::logEmin+step)));
EXPECT(catima::energy_table.values[catima::max_datapoints-1]==exp(M_LN10*(catima::logEmax)));
}
};
int main( int argc, char * argv[] )
{
return lest::run( specification, argc, argv );
}

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#include "lest.hpp"
#include <math.h>
using namespace std;
#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==water);
EXPECT(!(water==graphite));
}
}
},
CASE("Material automatic atomic weight"){
catima::Material water({{0,1,2},{0,8,1}});
catima::Material graphite(0,6);
EXPECT(water.get_element(0).first.A == 1.00794);
EXPECT(water.get_element(1).first.A == 15.9994);
EXPECT(graphite.get_element(0).first.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).first.A == 12.0107);
EXPECT(m.get_element(0).first.Z == 6);
EXPECT(m.density() == 2.0);
EXPECT(m.M() == 12.0107);
m = catima::get_material(catima::material::WATER);
EXPECT(m.get_element(0).first.A == 1.00794);
EXPECT(m.get_element(0).first.Z == 1);
EXPECT(m.get_element(1).first.A == 15.9994);
EXPECT(m.get_element(1).first.Z == 8);
EXPECT(m.density() == 1.0);
EXPECT(m.M() > 16.0);
},
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).first.Z == 6);
EXPECT(detector1[0].get_element(0).first.A == 12);
EXPECT(detector1[1].get_element(0).first.A == 1);
EXPECT(detector1[1].get_element(0).first.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};
EXPECT(c1==c2);
EXPECT( !(c1==c3));
},
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).first.A==12.01);
EXPECT(mat4.ncomponents()==1);
EXPECT(mat4.get_element(0).first.A==12.01);
EXPECT(mat5.ncomponents()==2);
EXPECT(mat5.get_element(0).first.A==12.01);
EXPECT(mat5.get_element(0).first.Z==6);
EXPECT(mat5.get_element(1).first.A==16.0);
EXPECT(mat5.get_element(1).second==2);
catima::Material mat6;
mat6 = mat5;
EXPECT(mat5==mat6);
EXPECT(mat5.ncomponents()==mat6.ncomponents());
EXPECT(mat5.get_element(0).first.A==mat6.get_element(0).first.A);
EXPECT(mat5.get_element(1).first.A==mat6.get_element(1).first.A);
mat5.add_element(12,6,1);
EXPECT(mat5.ncomponents()==mat6.ncomponents()+1);
}
};
int main( int argc, char * argv[] )
{
return lest::run( specification, argc, argv );
}

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#include <iostream>
#include "catima/catima.h"
#include "catima/nucdata.h"
#include <functional>
#include <fstream>
#include <sstream>
using namespace catima;
using std::cout;
using std::endl;
//// configuration ////
constexpr double logEmin_forLS = 0.0;
constexpr double logEmax_forLS = catima::logEmax;
constexpr double num_LS_datapoints = 200;
/////////////////////////////////////////
inline double ls_energy_table( int i ) { return exp(M_LN10*(logEmin_forLS + ((double)i)*(logEmax_forLS-logEmin_forLS)/(num_LS_datapoints - 1.0))); }
int main(){
double r;
double r2;
double dx;
double x1,x2;
#define LS_COEFFICENTS
#ifdef LS_COEFFICENTS
std::ofstream file("generated_LS_coeff.h",std::ofstream::out);
catima::Projectile p;
std::vector<double> ve;
std::stringstream sv1;
std::stringstream sv2;
std::stringstream sx1;
std::stringstream sx2;
file<<"//LS precalculated LS coefficients \n ";
file<<"#include \"catima/storage.h\"";
file<<"\n\n";
file<<"#define LS_NUM_ENERGY_POINTS "<<num_LS_datapoints<<"\n";
file<<"#define LS_MAX_Z "<<ATOMIC_WEIGHT_MAXZ<<"\n";
file<<"namespace catima{\n\n";
file<<"namespace ls_coefficients{\n\n";
file<<"// relative difference of mass number for 2nd mass point ls_coefficients_ahi \n\n";
file<<"constexpr double a_rel_increase=0.05;\n";
file<<"constexpr double logEmin = "<<logEmin_forLS<<";\n";
file<<"constexpr double logEmax = "<<logEmax_forLS<<";\n";
file<<"// energy points array in MeV/u \n";
file<<"constexpr EnergyTable<"<<num_LS_datapoints<<"> ls_energy_table("<<logEmin_forLS<<","<<logEmax_forLS<<");\n";
/*
file<<"double ls_energy_points["<<num_LS_datapoints<<"]={";
for(int i=0;i<num_LS_datapoints;i++){
if(i!=0)file<<",";
file<<ls_energy_table(i);
}
file<<"};\n";
*/
sv1<<"{";
sv2<<"{";
sx1<<"{";
sx2<<"{";
double beta2;
for(int z=1;z<ATOMIC_WEIGHT_MAXZ-1;z++){
p.Z = z;
if(z!=1)sv1<<",";
if(z!=1)sv2<<",";
if(z!=1)sx1<<",";
if(z!=1)sx2<<",";
sv1<<"\n\t{";
sv2<<"\n\t{";
sx1<<"\n\t{";
sx2<<"\n\t{";
for(int i=0;i<num_LS_datapoints;i++){
p.T = ls_energy_table(i);
p.A = element_atomic_weight((int)p.Z);
beta2 = catima::beta_from_T(p.T);
beta2 = beta2*beta2;
r = bethek_lindhard(p);
x1 = bethek_lindhard_X(p);
dx = p.A*0.05;
p.A +=dx;
r2 = bethek_lindhard(p);
x2 = bethek_lindhard_X(p);
if(i!=0)sv1<<",";
sv1<<r;
if(i!=0)sv2<<",";
sv2<<r2;
if(i!=0)sx1<<",";
sx1<<x1;
if(i!=0)sx2<<",";
sx2<<x2;
}
sv1<<"}";
sv2<<"}";
sx1<<"}";
sx2<<"}";
}
sv1<<"\n};";
sv2<<"\n};";
sx1<<"\n};";
sx2<<"\n};";
file<<"\n";
file<<"//arrays dimensions are [z][energy], z=1 starts from index=0\n";
file<<"\n//LS coefficient for A=atomic weight\n";
file<<"double ls_coefficients_a[]["<<num_LS_datapoints<<"]=\n";
file<<sv1.str();
file<<"\n";
file<<"\n//LS coefficient for A=atomic weight * 1.05\n";
file<<"double ls_coefficients_ahi[]["<<num_LS_datapoints<<"]=\n";
file<<sv2.str();
file<<"\n";
file<<"\n";
file<<"//arrays dimensions are [z][energy], z=1 starts from index=0\n";
file<<"\n//LS X coefficient (dE straggling) for A=atomic weight\n";
file<<"double ls_X_coefficients_a[]["<<num_LS_datapoints<<"]=\n";
file<<sx1.str();
file<<"\n";
file<<"\n//LS X coefficient for A=atomic weight * 1.05\n";
file<<"double ls_X_coefficients_ahi[]["<<num_LS_datapoints<<"]=\n";
file<<sx2.str();
file<<"\n";
file<<"\n}\n"; // end of ls_coefficient namespace
file<<"\n}\n"; // end of catima namespace
file.close();
#endif
return 0;
}