mirror of
https://github.com/gwm17/catima.git
synced 2024-11-22 18:28:51 -05:00
update3
This commit is contained in:
hrocho
parent
3d240d2fd6
commit
c971222984
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@ -1,27 +1,30 @@
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cmake_minimum_required(VERSION 3.2.0)
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cmake_minimum_required(VERSION 3.2.0)
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project(catima)
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############ options #############
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#option(THREADS "Use multi-threading" ON)
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option(BUILD_SHARED_LIBS "build as shared library" ON)
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option(PYTHON_MODULE "compile the Catima python module(requires numpy and cython installed)" OFF)
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option(TESTS "build tests" OFF)
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option(EXAMPLES "build examples" ON)
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option(GSL_INTEGRATION "use GSL integration" ON)
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option(GENERATE_DATA "make data tables generator" OFF)
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option(THIN_TARGET_APPROXIMATION "thin target approximation" ON)
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option(DOCS "build documentation (requires doxygen)" OFF)
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option(APPS "build catima applications" ON)
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option(GLOBAL "build with global, sources are required" OFF)
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option(REACTIONS "enable/disable nuclear reaction rate" ON)
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option(APPS "build catima applications" ON)
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option(STORE_SPLINES "store splines, if disables splines are always recreated" ON)
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option(GSL_INTEGRATION "use GSL integration" OFF)
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option(GSL_INTERPOLATION "use GSL inteRPOLATION" OFF)
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option(THIN_TARGET_APPROXIMATION "thin target approximation" ON)
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option(GENERATE_DATA "make data tables generator" OFF)
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option(DOCS "build documentation (requires doxygen)" OFF)
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######## build type ############
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if(NOT CMAKE_BUILD_TYPE STREQUAL "Debug")
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set(CMAKE_BUILD_TYPE "Release")
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set(CMAKE_CXX_FLAGS_RELEASE "${CMAKE_CXX_FLAGS_RELEASE}")
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MESSAGE(STATUS "Build type Release")
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else()
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set(CMAKE_CXX_FLAGS_DEBUG "${CMAKE_CXX_FLAGS_DEBUG} -g")
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if (${CMAKE_CXX_COMPILER_ID} STREQUAL "Clang" OR ${CMAKE_CXX_COMPILER_ID} STREQUAL "GNU")
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set(CMAKE_CXX_FLAGS_DEBUG "-Wall -Wextra -Wfatal-errors -g")
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set(CMAKE_CXX_FLAGS_DEBUG "${CMAKE_CXX_FLAGS_DEBUG} -Wall -Wextra -Wfatal-errors -Wno-unused-parameter -Wno-sign-compare")
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endif()
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MESSAGE(STATUS "Build type Debug")
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endif()
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@ -41,18 +44,10 @@ else()
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endif()
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############# Requirements ##################
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find_package(GSL REQUIRED)
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MESSAGE(STATUS "GSL include dirs: " ${GSL_INCLUDE_DIRS})
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#if(THREADS)
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# find_package(Threads REQUIRED)
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# set (EXTRA_LIBS ${EXTRA_LIBS} ${CMAKE_THREAD_LIBS_INIT})
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# set (USE_THREADS ON)
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# MESSAGE(STATUS "Nurex will use threads")
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#endif(THREADS)
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find_package(PythonInterp)
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if(PYTHONINTERP_FOUND)
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message("-- Python found: ${PYTHON_EXECUTABLE}")
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if(GSL_INTEGRATION OR GSL_INTERPOLATION)
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find_package(GSL REQUIRED)
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MESSAGE(STATUS "GSL include dirs: " ${GSL_INCLUDE_DIRS})
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list(APPEND EXTRA_LIBS ${GSL_LIBRARIES} )
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endif()
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find_package(nurex QUIET)
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@ -81,29 +76,19 @@ endif(GLOBAL)
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file(GLOB HEADERS *.h)
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add_library(catima SHARED ${SOURCES})
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add_library(catima_static STATIC ${SOURCES})
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set_target_properties(catima PROPERTIES
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POSITION_INDEPENDENT_CODE ON
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LIBRARY_OUTPUT_DIRECTORY ${PROJECT_BINARY_DIR}/lib
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)
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set_target_properties(catima_static
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PROPERTIES OUTPUT_NAME catima
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POSITION_INDEPENDENT_CODE ON
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ARCHIVE_OUTPUT_DIRECTORY ${PROJECT_BINARY_DIR}/lib
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)
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target_link_libraries(catima ${EXTRA_LIBS} ${GSL_LIBRARIES})
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target_link_libraries(catima_static ${EXTRA_LIBS} ${GSL_LIBRARIES})
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target_link_libraries(catima ${EXTRA_LIBS})
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target_include_directories(catima
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PUBLIC $<BUILD_INTERFACE:${PROJECT_BINARY_DIR}/include>
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$<BUILD_INTERFACE:${GSL_INCLUDE_DIRS}>
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)
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target_include_directories(catima_static
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PUBLIC $<BUILD_INTERFACE:${PROJECT_BINARY_DIR}/include>
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$<BUILD_INTERFACE:${GSL_INCLUDE_DIRS}>
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)
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add_library(catima::catima ALIAS catima)
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add_library(catima::catima_static ALIAS catima_static)
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FILE(COPY ${HEADERS} DESTINATION ${PROJECT_BINARY_DIR}/include/catima)
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@ -111,10 +96,23 @@ FILE(COPY ${HEADERS} DESTINATION ${PROJECT_BINARY_DIR}/include/catima)
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MESSAGE( STATUS "CMAKE_CXX_COMPILER: " ${CMAKE_CXX_COMPILER} )
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######## for python module
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find_package(PythonInterp)
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if(PYTHONINTERP_FOUND)
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message("-- Python found: ${PYTHON_EXECUTABLE}")
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endif()
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if(PYTHON_MODULE)
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if(NOT PYTHONINTERP_FOUND)
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MESSAGE(SEND_ERROR "Python is required to build nurex python modules")
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endif(NOT PYTHONINTERP_FOUND)
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#find_package(pybind11 REQUIRED)
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#set(PYBIND11_CPP_STANDARD -std=c++14)
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#pybind11_add_module(pycatima pymodule/pycatima)
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#target_include_directories(pycatima PUBLIC
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# $<BUILD_INTERFACE:${CMAKE_CURRENT_BINARY_DIR}/include>
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# $<BUILD_INTERFACE:${PROJECT_SOURCE_DIR}/libs>
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# $<INSTALL_INTERFACE:include>)
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#target_link_libraries(pycatima PRIVATE catima)
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find_program(CYTHON_EXECUTABLE
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NAMES cython cython2 cython3 cython.bat
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DOC "path to the cython executable"
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@ -182,7 +180,7 @@ endif(APPS)
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####### install part #######
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FILE(GLOB headers "*.h")
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include(GNUInstallDirs)
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install (TARGETS catima catima_static
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install (TARGETS catima
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EXPORT catimaConfig
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LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR}
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ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR})
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@ -194,7 +192,7 @@ install(EXPORT catimaConfig
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DESTINATION lib/cmake/catima
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)
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export(TARGETS catima catima_static NAMESPACE catima:: FILE catimaConfig.cmake)
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export(TARGETS catima NAMESPACE catima:: FILE catimaConfig.cmake)
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export(PACKAGE catima)
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###### packaging #######
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@ -26,17 +26,18 @@ compile options, enable or disable with cmake:
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> cmake ../ -D[OPTION]
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available options:
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* BUILD_SHARED_LIBS - if ON shared library is build, otherwise static
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* PYTHON_MODULE - enable/disable building of the python bindigs, cython and numpy are required to build the catima python module, default OFF
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* TESTS - build tests
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* EXAMPLES - build examples
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* DOCS - prepare doxygen documentation (after cmake, __make docs__ needs to be executed)
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* GENERATE_DATA - makes program to re-generate precalculated tables (ie precalculated LS coefficients), default:OFF
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* THIN_TARGET_APPROXIMATION - compile the library with thin target approximation, default: ON
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* GSL_INTEGRATION - use GSL integration functions, otherwise use built-in integrator, default: ON
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* GSL_INTEGRATION - use GSL integration functions, otherwise use built-in integrator, default: OFF
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* GLOBAL - compile with GLOBAL code (source not included at the moment, needs to be manually added to __global__ directory, default:OFF)
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ie:
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> cmake -DCATIMA_PYTHON=ON -DEXAMPLES=ON ../
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> cmake -DPYTHON_MODULE=ON -DEXAMPLES=ON ../
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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.
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@ -18,6 +18,19 @@ void help(){
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std::cout<<"usage: catima_calculator config_file.json\n";
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}
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inline std::vector<double> linspace_vector(double a, double b, unsigned int num){
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std::vector<double> res;
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if(num>=2 && a<b){
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res.resize(num);
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double step = (b-a)/(num-1);
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for(unsigned int i=0;i<(num-1);i++){
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res[i]=a+(i*step);
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}
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res[num-1] = b;
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}
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return res;
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}
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json load_json(const char *fname);
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char* getCmdOption(char ** begin, char ** end, const std::string & option);
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Material json_material(json &j);
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@ -3,6 +3,8 @@
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#cmakedefine THIN_TARGET_APPROXIMATION
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#cmakedefine GSL_INTEGRATION
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#cmakedefine GSL_INTERPOLATION
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#cmakedefine STORE_SPLINES
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#cmakedefine GLOBAL
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#cmakedefine REACTIONS
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#cmakedefine NUREX
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@ -43,11 +43,17 @@ double dedx_n(const Projectile &p, const Target &t){
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double asum = p.A + t.A;
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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
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double sn=0;
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if(epsilon<=30){
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if(epsilon<=0){
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return 0.0;
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}
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else if(epsilon<=30){
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assert(p.A>0);
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assert(epsilon>0);
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sn = log(1+(1.1383*epsilon))/ (2*(epsilon + 0.01321*pow(epsilon,0.21226) + 0.19593*pow(epsilon,0.5)));
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}
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else{
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assert(p.A>0);
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assert(epsilon>0);
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sn = log(epsilon)/(2*epsilon);
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}
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sn = 100*8.4621*p.Z*t.Z*p.A*sn*Avogadro/(asum*zpowers*t.A);
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@ -798,6 +804,7 @@ double z_eff_global(double pz, double E, double tz){
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#ifdef GLOBAL
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return global_qmean(pz, tz, E);
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#else
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assert(false);
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return -1;
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#endif
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}
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@ -871,6 +878,8 @@ double z_eff_atima14(double pz, double T, double tz){
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}
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}
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}
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#else
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assert(false);
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#endif
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return qmean;
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}
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@ -39,9 +39,13 @@ namespace catima{
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double reduced_energy_loss_unit(const Projectile &p, const Target &t);
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/**
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* @brief bethek_dedx_e - electronics stopping power
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* @return stopping power
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*/
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double bethek_dedx_e(Projectile &p,const Target &t, const Config &c=default_config, double I=0.0);
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double bethek_dedx_e(Projectile &p,const Material &mat, const Config &c=default_config);
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double bethek_barkas(double zp_eff,double eta, double zt);
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double bethek_density_effect(double beta, int zt);
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131
catima.cpp
131
catima.cpp
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@ -17,7 +17,6 @@ namespace catima{
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Config default_config;
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bool operator==(const Config &a, const Config&b){
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if(std::memcmp(&a,&b,sizeof(Config)) == 0){
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return true;
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@ -30,11 +29,9 @@ bool operator==(const Config &a, const Config&b){
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double dedx(Projectile &p, double T, const Material &mat, const Config &c){
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double sum = 0;
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if(T<=0)return 0.0;
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sum += dedx_n(p,mat);
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double se=0;
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p.T = T;
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sum += dedx_n(p,mat);
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double se=0;
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if(p.T<=10){
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se = sezi_dedx_e(p,mat);
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}
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@ -78,21 +75,23 @@ double da2dx(Projectile &p, double T, const Material &mat, const Config &c){
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double range(Projectile &p, double T, const Material &t, const Config &c){
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auto data = _storage.Get(p,t,c);
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Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
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auto& data = _storage.Get(p,t,c);
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//Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
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spline_type range_spline = get_range_spline(data);
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return range_spline(T);
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}
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double dedx_from_range(Projectile &p, double T, const Material &t, const Config &c){
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auto data = _storage.Get(p,t,c);
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Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
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auto& data = _storage.Get(p,t,c);
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//Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
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spline_type range_spline = get_range_spline(data);
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return p.A/range_spline.derivative(T);
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}
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std::vector<double> dedx_from_range(Projectile &p, const std::vector<double> &T, const Material &t, const Config &c){
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auto data = _storage.Get(p,t,c);
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Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
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auto& data = _storage.Get(p,t,c);
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//Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
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spline_type range_spline = get_range_spline(data);
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std::vector<double> dedx;
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dedx.reserve(T.size());
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for(auto e:T){
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@ -107,45 +106,52 @@ std::vector<double> dedx_from_range(Projectile &p, const std::vector<double> &T,
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}
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double range_straggling(Projectile &p, double T, const Material &t, const Config &c){
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auto data = _storage.Get(p,t,c);
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Interpolator range_straggling_spline(energy_table.values,data.range_straggling.data(),energy_table.num);
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auto& data = _storage.Get(p,t,c);
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//Interpolator range_straggling_spline(energy_table.values,data.range_straggling.data(),energy_table.num);
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spline_type range_straggling_spline = get_range_straggling_spline(data);
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return sqrt(range_straggling_spline(T));
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}
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double range_variance(Projectile &p, double T, const Material &t, const Config &c){
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auto data = _storage.Get(p,t,c);
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Interpolator range_straggling_spline(energy_table.values,data.range_straggling.data(),energy_table.num);
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auto& data = _storage.Get(p,t,c);
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//Interpolator range_straggling_spline(energy_table.values,data.range_straggling.data(),energy_table.num);
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spline_type range_straggling_spline = get_range_straggling_spline(data);
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return range_straggling_spline(T);
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}
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double domega2de(Projectile &p, double T, const Material &t, const Config &c){
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auto data = _storage.Get(p,t,c);
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Interpolator range_straggling_spline(energy_table.values,data.range_straggling.data(),energy_table.num);
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auto& data = _storage.Get(p,t,c);
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//Interpolator range_straggling_spline(energy_table.values,data.range_straggling.data(),energy_table.num);
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spline_type range_straggling_spline = get_range_straggling_spline(data);
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return range_straggling_spline.derivative(T);
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}
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double da2de(Projectile &p, double T, const Material &t, const Config &c){
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auto data = _storage.Get(p,t,c);
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Interpolator angular_variance_spline(energy_table.values,data.angular_variance.data(),energy_table.num);
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auto& data = _storage.Get(p,t,c);
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//Interpolator angular_variance_spline(energy_table.values,data.angular_variance.data(),energy_table.num);
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spline_type angular_variance_spline = get_angular_variance_spline(data);
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return angular_variance_spline.derivative(T);
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}
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double angular_straggling_from_E(Projectile &p, double T, double Tout, const Material &t, const Config &c){
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auto data = _storage.Get(p,t,c);
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Interpolator angular_straggling_spline(energy_table.values,data.angular_variance.data(),energy_table.num);
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return sqrt(angular_straggling_spline(T) - angular_straggling_spline(Tout));
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auto& data = _storage.Get(p,t,c);
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//Interpolator angular_straggling_spline(energy_table.values,data.angular_variance.data(),energy_table.num);
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spline_type angular_variance_spline = get_angular_variance_spline(data);
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return sqrt(angular_variance_spline(T) - angular_variance_spline(Tout));
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}
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double energy_straggling_from_E(Projectile &p, double T, double Tout,const Material &t, const Config &c){
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auto data = _storage.Get(p,t,c);
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auto& data = _storage.Get(p,t,c);
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Interpolator range_straggling_spline(energy_table.values,data.range_straggling.data(),energy_table.num);
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Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
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//Interpolator range_straggling_spline(energy_table.values,data.range_straggling.data(),energy_table.num);
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//Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
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spline_type range_spline = get_range_spline(data);
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spline_type range_straggling_spline = get_range_straggling_spline(data);
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double dEdxo = p.A/range_spline.derivative(Tout);
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return dEdxo*sqrt(range_straggling_spline(T) - range_straggling_spline(Tout))/p.A;
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}
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double energy_out(double T, double thickness, Interpolator &range_spline){
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double energy_out(double T, double thickness, const Interpolator &range_spline){
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constexpr double epsilon = 1E-5;
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int counter = 0;
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double range;
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@ -172,14 +178,16 @@ double energy_out(double T, double thickness, Interpolator &range_spline){
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}
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double energy_out(Projectile &p, double T, const Material &t, const Config &c){
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auto data = _storage.Get(p,t,c);
|
||||
Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
|
||||
auto& data = _storage.Get(p,t,c);
|
||||
//Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
|
||||
spline_type range_spline = get_range_spline(data);
|
||||
return energy_out(T,t.thickness(),range_spline);
|
||||
}
|
||||
|
||||
std::vector<double> energy_out(Projectile &p, const std::vector<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);
|
||||
auto& data = _storage.Get(p,t,c);
|
||||
//Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
|
||||
spline_type range_spline = get_range_spline(data);
|
||||
|
||||
std::vector<double> eout;
|
||||
eout.reserve(T.size());
|
||||
|
|
@ -199,15 +207,18 @@ Result calculate(Projectile &p, const Material &t, const Config &c){
|
|||
Result res;
|
||||
double T = p.T;
|
||||
if(T<catima::Ezero && T<catima::Ezero-catima::numeric_epsilon){return res;}
|
||||
auto data = _storage.Get(p,t,c);
|
||||
auto& data = _storage.Get(p,t,c);
|
||||
|
||||
//Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
|
||||
spline_type range_spline = get_range_spline(data);
|
||||
|
||||
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);
|
||||
//Interpolator range_straggling_spline(energy_table.values,data.range_straggling.data(),energy_table.num);
|
||||
spline_type range_straggling_spline = get_range_straggling_spline(data);
|
||||
|
||||
if(res.Eout<Ezero){
|
||||
res.dEdxo = 0.0;
|
||||
|
|
@ -225,20 +236,23 @@ Result calculate(Projectile &p, const Material &t, const Config &c){
|
|||
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);
|
||||
//Interpolator angular_variance_spline(energy_table.values,data.angular_variance.data(),energy_table.num);
|
||||
spline_type angular_variance_spline = get_angular_variance_spline(data);
|
||||
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);
|
||||
//Interpolator angular_variance_spline(energy_table.values,data.angular_variance.data(),energy_table.num);
|
||||
spline_type angular_variance_spline = get_angular_variance_spline(data);
|
||||
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);
|
||||
//Interpolator angular_variance_spline(energy_table.values,data.angular_variance.data(),energy_table.num);
|
||||
spline_type angular_variance_spline = get_angular_variance_spline(data);
|
||||
res.sigma_a = sqrt(angular_variance_spline(T) - angular_variance_spline(res.Eout));
|
||||
#endif
|
||||
if( !(c.skip&skip_tof) && t.thickness()>0){
|
||||
|
|
@ -371,7 +385,7 @@ std::vector<double> calculate_tof(Projectile p, const Material &t, const Config
|
|||
}
|
||||
return values;
|
||||
}
|
||||
|
||||
/*
|
||||
DataPoint calculate_DataPoint(Projectile p, const Material &t, const Config &c){
|
||||
DataPoint dp(p,t,c);
|
||||
dp.range.resize(max_datapoints);
|
||||
|
|
@ -411,6 +425,47 @@ DataPoint calculate_DataPoint(Projectile p, const Material &t, const Config &c){
|
|||
}
|
||||
return dp;
|
||||
}
|
||||
*/
|
||||
|
||||
|
||||
DataPoint calculate_DataPoint(Projectile p, const Material &t, const Config &c){
|
||||
DataPoint dp(p,t,c);
|
||||
dp.range.resize(max_datapoints);
|
||||
dp.range_straggling.resize(max_datapoints);
|
||||
dp.angular_variance.resize(max_datapoints);
|
||||
auto fdedx = [&](double x)->double{
|
||||
return 1.0/dedx(p,x,t,c);
|
||||
};
|
||||
auto fomega = [&](double x)->double{
|
||||
//return 1.0*domega2dx(p,x,t)/pow(dedx(p,x,t),3);
|
||||
return domega2dx(p,x,t,c)/catima::power(dedx(p,x,t,c),3);
|
||||
};
|
||||
|
||||
double res=0.0;
|
||||
//calculate 1st point to have i-1 element ready for loop
|
||||
//res = integrator.integrate(fdedx,Ezero,energy_table(0));
|
||||
//res = p.A*res;
|
||||
//dp.range[0] = res;
|
||||
dp.range[0] = 0.0;
|
||||
|
||||
dp.angular_variance[0] = 0.0;
|
||||
|
||||
//res = integrator.integrate(fomega,Ezero,energy_table(0));
|
||||
//res = p.A*res;
|
||||
dp.range_straggling[0]=0.0;
|
||||
//p.T = energy_table(0);
|
||||
for(int i=1;i<max_datapoints;i++){
|
||||
res = p.A*integrator.integrate(fdedx,energy_table(i-1),energy_table(i));
|
||||
dp.range[i] = res + dp.range[i-1];
|
||||
res = da2dx(p,energy_table(i),t)*res;
|
||||
dp.angular_variance[i] = res + dp.angular_variance[i-1];
|
||||
|
||||
res = integrator.integrate(fomega,energy_table(i-1),energy_table(i));
|
||||
res = p.A*res;
|
||||
dp.range_straggling[i] = res + dp.range_straggling[i-1];
|
||||
}
|
||||
return dp;
|
||||
}
|
||||
|
||||
double calculate_tof_from_E(Projectile p, double Eout, const Material &t, const Config &c){
|
||||
double res;
|
||||
|
|
|
|||
3
catima.h
3
catima.h
|
|
@ -21,6 +21,7 @@
|
|||
#include <vector>
|
||||
|
||||
// #define NDEBUG
|
||||
#include "catima/build_config.h"
|
||||
#include "catima/config.h"
|
||||
#include "catima/constants.h"
|
||||
#include "catima/structures.h"
|
||||
|
|
@ -141,7 +142,7 @@ namespace catima{
|
|||
* @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);
|
||||
double energy_out(double T, double thickness, const Interpolator &range_spline);
|
||||
|
||||
/**
|
||||
* calculates outcoming energy
|
||||
|
|
|
|||
|
|
@ -114,7 +114,7 @@ cdef extern from "catima/constants.h" namespace "catima":
|
|||
int logEmin "catima::logEmin"
|
||||
int logEmax "catima::logEmax"
|
||||
bool reactions "catima::reactions"
|
||||
|
||||
|
||||
cdef extern from "catima/storage.h" namespace "catima":
|
||||
cdef cppclass Interpolator:
|
||||
Interpolator(const double *x, const double *y, int num) except +
|
||||
|
|
@ -141,4 +141,4 @@ cdef extern from "catima/storage.h" namespace "catima":
|
|||
|
||||
cdef EnergyTableType energy_table;
|
||||
cdef Data _storage;
|
||||
cdef DataPoint& get_data(const Projectile &p, const Material &t, Config c);
|
||||
cdef DataPoint& get_data(const Projectile &p, const Material &t, const Config c);
|
||||
|
|
|
|||
|
|
@ -1,12 +1,13 @@
|
|||
#include "integrator.h"
|
||||
|
||||
//#ifdef GSL_INTEGRATION
|
||||
#include "gsl/gsl_integration.h"
|
||||
#include "gsl/gsl_errno.h"
|
||||
//#endif
|
||||
|
||||
namespace catima{
|
||||
|
||||
integrator_type integrator;
|
||||
IntegratorGSL integratorGSL(true);
|
||||
|
||||
#ifdef GSL_INTEGRATION
|
||||
double funcwrapper3(double x, void *_c){
|
||||
std::function<double(double)> *f = (std::function<double(double)> *)_c;
|
||||
return (*f)(x);
|
||||
|
|
@ -44,6 +45,5 @@ namespace catima{
|
|||
}
|
||||
return result;
|
||||
};
|
||||
|
||||
|
||||
#endif
|
||||
}
|
||||
|
|
|
|||
13
integrator.h
13
integrator.h
|
|
@ -17,15 +17,20 @@
|
|||
#ifndef INTEGRATOR_H
|
||||
#define INTEGRATOR_H
|
||||
#include "catima/build_config.h"
|
||||
#include "gsl/gsl_integration.h"
|
||||
#include <functional>
|
||||
#include <array>
|
||||
#ifdef USE_THREADS
|
||||
#include <mutex>
|
||||
|
||||
//#ifdef USE_THREADS
|
||||
//#include <mutex>
|
||||
//#endif
|
||||
|
||||
#ifdef GSL_INTEGRATION
|
||||
#include "gsl/gsl_integration.h"
|
||||
#endif
|
||||
|
||||
namespace catima{
|
||||
|
||||
#ifdef GSL_INTEGRATION
|
||||
/// helper class to integrate functions using the GSL library
|
||||
class IntegratorGSL{
|
||||
public:
|
||||
|
|
@ -45,6 +50,7 @@ class IntegratorGSL{
|
|||
std::mutex integration_mutex;
|
||||
#endif
|
||||
};
|
||||
#endif
|
||||
|
||||
template<int order>
|
||||
struct GL_data{
|
||||
|
|
@ -176,7 +182,6 @@ using integrator_type = GaussLegendreIntegration<8>;
|
|||
#endif
|
||||
|
||||
extern integrator_type integrator;
|
||||
extern IntegratorGSL integratorGSL;
|
||||
}
|
||||
|
||||
#endif
|
||||
|
|
|
|||
|
|
@ -23,8 +23,8 @@ double nonreaction_rate(Projectile &projectile, const Material &target, const Co
|
|||
int ap = lround(projectile.A);
|
||||
int zp = lround(projectile.Z);
|
||||
|
||||
auto data = _storage.Get(projectile,target,c);
|
||||
Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
|
||||
auto& data = _storage.Get(projectile,target,c);
|
||||
spline_type range_spline = get_range_spline(data);
|
||||
if(energy_out(projectile.T, target.thickness(), range_spline) < emin_reaction)return -1.0;
|
||||
|
||||
auto sigma_r = [&](double th){
|
||||
|
|
|
|||
|
|
@ -10,8 +10,8 @@ setup(
|
|||
library_dirs=["${CMAKE_CURRENT_BINARY_DIR}/lib"],
|
||||
include_dirs=["${CMAKE_CURRENT_BINARY_DIR}/include"],
|
||||
# extra_objects=["${CATIMA_LIB}"],
|
||||
extra_compile_args=["-std=c++14"],
|
||||
extra_link_args=["-std=c++14"]
|
||||
extra_compile_args=["-std=c++14"],
|
||||
extra_link_args=["-std=c++14"]
|
||||
),
|
||||
])
|
||||
)
|
||||
|
|
|
|||
241
spline.cpp
241
spline.cpp
|
|
@ -10,247 +10,6 @@
|
|||
|
||||
namespace catima{
|
||||
|
||||
band_matrix::band_matrix(int dim)
|
||||
{
|
||||
resize(dim);
|
||||
}
|
||||
void band_matrix::resize(int dim)
|
||||
{
|
||||
assert(dim>0);
|
||||
a.resize(dim);
|
||||
d.resize(dim);
|
||||
c.resize(dim);
|
||||
}
|
||||
int band_matrix::dim() const
|
||||
{
|
||||
return d.size();
|
||||
}
|
||||
|
||||
|
||||
// defines the new operator (), so that we can access the elements
|
||||
// by A(i,j), index going from i=0,...,dim()-1
|
||||
double & band_matrix::operator () (int i, int j)
|
||||
{
|
||||
int k=j-i; // what band is the entry
|
||||
assert( (i>=0) && (i<dim()) && (j>=0) && (j<dim()) );
|
||||
assert(k<2 && k>-2);
|
||||
if(k>0)return c[i];
|
||||
else if(k==0) return d[i];
|
||||
else return a[i];
|
||||
}
|
||||
double band_matrix::operator () (int i, int j) const
|
||||
{
|
||||
int k=j-i; // what band is the entry
|
||||
assert( (i>=0) && (i<dim()) && (j>=0) && (j<dim()) );
|
||||
if(k>0)return c[i];
|
||||
else if(k==0) return d[i];
|
||||
else return a[i];
|
||||
}
|
||||
|
||||
|
||||
|
||||
std::vector<double> band_matrix::trig_solve(const std::vector<double>& b) const
|
||||
{
|
||||
assert( this->dim()==(int)b.size() );
|
||||
std::vector<double> x(this->dim());
|
||||
std::vector<double> g(this->dim());
|
||||
|
||||
assert(d[0]!=0.0);
|
||||
x[0] = b[0]/d[0];
|
||||
double bet = d[0];
|
||||
for(int j=1;j<this->dim();j++){
|
||||
g[j] = c[j-1]/bet;
|
||||
bet = d[j] - (a[j]*g[j]);
|
||||
assert(bet != 0.0);
|
||||
x[j] = (b[j]-a[j]*x[j-1])/bet;
|
||||
}
|
||||
for(int j=this->dim()-2;j>=0;j--){
|
||||
x[j] -= g[j+1]*x[j+1];
|
||||
}
|
||||
|
||||
return x;
|
||||
}
|
||||
|
||||
|
||||
// spline implementation
|
||||
// -----------------------
|
||||
|
||||
void spline::set_boundary(spline::bd_type left, double left_value,
|
||||
spline::bd_type right, double right_value,
|
||||
bool force_linear_extrapolation)
|
||||
{
|
||||
assert(n==0); // set_points() must not have happened yet
|
||||
m_left=left;
|
||||
m_right=right;
|
||||
m_left_value=left_value;
|
||||
m_right_value=right_value;
|
||||
m_force_linear_extrapolation=force_linear_extrapolation;
|
||||
}
|
||||
|
||||
|
||||
void spline::set_points(const double *x,
|
||||
const double *y,
|
||||
const size_t num
|
||||
)
|
||||
{
|
||||
assert(num>2);
|
||||
m_x=x;
|
||||
m_y=y;
|
||||
n=num;
|
||||
// TODO: maybe sort x and y, rather than returning an error
|
||||
for(int i=0; i<n-1; i++) {
|
||||
assert(m_x[i]<m_x[i+1]);
|
||||
}
|
||||
|
||||
|
||||
// setting up the matrix and right hand side of the equation system
|
||||
// for the parameters b[]
|
||||
band_matrix A(n);
|
||||
std::vector<double> rhs(n);
|
||||
for(int i=1; i<n-1; i++) {
|
||||
A(i,i-1)=1.0/3.0*(x[i]-x[i-1]);
|
||||
A(i,i)=2.0/3.0*(x[i+1]-x[i-1]);
|
||||
A(i,i+1)=1.0/3.0*(x[i+1]-x[i]);
|
||||
rhs[i]=(y[i+1]-y[i])/(x[i+1]-x[i]) - (y[i]-y[i-1])/(x[i]-x[i-1]);
|
||||
}
|
||||
// boundary conditions
|
||||
if(m_left == spline::bd_type::second_deriv) {
|
||||
// 2*b[0] = f''
|
||||
A(0,0)=2.0;
|
||||
A(0,1)=0.0;
|
||||
rhs[0]=m_left_value;
|
||||
} else{
|
||||
// c[0] = f', needs to be re-expressed in terms of b:
|
||||
// (2b[0]+b[1])(x[1]-x[0]) = 3 ((y[1]-y[0])/(x[1]-x[0]) - f')
|
||||
A(0,0)=2.0*(x[1]-x[0]);
|
||||
A(0,1)=1.0*(x[1]-x[0]);
|
||||
rhs[0]=3.0*((y[1]-y[0])/(x[1]-x[0])-m_left_value);
|
||||
}
|
||||
|
||||
if(m_right == spline::bd_type::second_deriv) {
|
||||
// 2*b[n-1] = f''
|
||||
A(n-1,n-1)=2.0;
|
||||
A(n-1,n-2)=0.0;
|
||||
rhs[n-1]=m_right_value;
|
||||
} else{
|
||||
// c[n-1] = f', needs to be re-expressed in terms of b:
|
||||
// (b[n-2]+2b[n-1])(x[n-1]-x[n-2])
|
||||
// = 3 (f' - (y[n-1]-y[n-2])/(x[n-1]-x[n-2]))
|
||||
A(n-1,n-1)=2.0*(x[n-1]-x[n-2]);
|
||||
A(n-1,n-2)=1.0*(x[n-1]-x[n-2]);
|
||||
rhs[n-1]=3.0*(m_right_value-(y[n-1]-y[n-2])/(x[n-1]-x[n-2]));
|
||||
}
|
||||
|
||||
// solve the equation system to obtain the parameters b[]
|
||||
//m_b=A.lu_solve(rhs);
|
||||
m_b=A.trig_solve(rhs);
|
||||
|
||||
// calculate parameters a[] and c[] based on b[]
|
||||
m_a.resize(n);
|
||||
m_c.resize(n);
|
||||
for(int i=0; i<n-1; i++) {
|
||||
m_a[i]=1.0/3.0*(m_b[i+1]-m_b[i])/(x[i+1]-x[i]);
|
||||
m_c[i]=(y[i+1]-y[i])/(x[i+1]-x[i])
|
||||
- 1.0/3.0*(2.0*m_b[i]+m_b[i+1])*(x[i+1]-x[i]);
|
||||
}
|
||||
|
||||
// for left extrapolation coefficients
|
||||
m_b0 = (m_force_linear_extrapolation==false) ? m_b[0] : 0.0;
|
||||
m_c0 = m_c[0];
|
||||
|
||||
// for the right extrapolation coefficients
|
||||
// f_{n-1}(x) = b*(x-x_{n-1})^2 + c*(x-x_{n-1}) + y_{n-1}
|
||||
double h=x[n-1]-x[n-2];
|
||||
// m_b[n-1] is determined by the boundary condition
|
||||
m_a[n-1]=0.0;
|
||||
m_c[n-1]=3.0*m_a[n-2]*h*h+2.0*m_b[n-2]*h+m_c[n-2]; // = f'_{n-2}(x_{n-1})
|
||||
if(m_force_linear_extrapolation==true)
|
||||
m_b[n-1]=0.0;
|
||||
}
|
||||
|
||||
double spline::operator() (double x) const
|
||||
{
|
||||
assert(n>2);
|
||||
// find the closest point m_x[idx] < x, idx=0 even if x<m_x[0]
|
||||
auto it=std::lower_bound(m_x,m_x+n,x);
|
||||
//int idx=std::max( int(it-m_x)-1, 0);
|
||||
if(it!=m_x)it--;
|
||||
int idx = std::distance(m_x,it);
|
||||
double mx = *it;
|
||||
double h=x-mx;
|
||||
double interpol;
|
||||
if(x<m_x[0]) {
|
||||
// extrapolation to the left
|
||||
interpol=(m_b0*h + m_c0)*h + m_y[0];
|
||||
} else if(x>m_x[n-1]) {
|
||||
// extrapolation to the right
|
||||
interpol=(m_b[n-1]*h + m_c[n-1])*h + m_y[n-1];
|
||||
} else {
|
||||
// interpolation
|
||||
interpol=((m_a[idx]*h + m_b[idx])*h + m_c[idx])*h + m_y[idx];
|
||||
}
|
||||
return interpol;
|
||||
}
|
||||
|
||||
double spline::deriv(int order, double x) const
|
||||
{
|
||||
assert(order>0);
|
||||
// find the closest point m_x[idx] < x, idx=0 even if x<m_x[0]
|
||||
auto it=std::lower_bound(m_x,m_x+n,x);
|
||||
//int idx=std::max( int(it-m_x)-1, 0);
|
||||
if(it!=m_x)it--;
|
||||
int idx = std::distance(m_x,it);
|
||||
double mx = *it;
|
||||
double h=x-mx;
|
||||
double interpol;
|
||||
if(x<m_x[0]) {
|
||||
// extrapolation to the left
|
||||
switch(order) {
|
||||
case 1:
|
||||
interpol=2.0*m_b0*h + m_c0;
|
||||
break;
|
||||
case 2:
|
||||
interpol=2.0*m_b0*h;
|
||||
break;
|
||||
default:
|
||||
interpol=0.0;
|
||||
break;
|
||||
}
|
||||
} else if(x>m_x[n-1]) {
|
||||
// extrapolation to the right
|
||||
switch(order) {
|
||||
case 1:
|
||||
interpol=2.0*m_b[n-1]*h + m_c[n-1];
|
||||
break;
|
||||
case 2:
|
||||
interpol=2.0*m_b[n-1];
|
||||
break;
|
||||
default:
|
||||
interpol=0.0;
|
||||
break;
|
||||
}
|
||||
} else {
|
||||
// interpolation
|
||||
switch(order) {
|
||||
case 1:
|
||||
interpol=(3.0*m_a[idx]*h + 2.0*m_b[idx])*h + m_c[idx];
|
||||
break;
|
||||
case 2:
|
||||
interpol=6.0*m_a[idx]*h + 2.0*m_b[idx];
|
||||
break;
|
||||
case 3:
|
||||
interpol=6.0*m_a[idx];
|
||||
break;
|
||||
default:
|
||||
interpol=0.0;
|
||||
break;
|
||||
}
|
||||
}
|
||||
return interpol;
|
||||
}
|
||||
|
||||
|
||||
|
||||
} // namespace tk
|
||||
|
||||
|
||||
|
|
|
|||
233
spline.h
233
spline.h
|
|
@ -17,77 +17,208 @@
|
|||
* along with this program. If not, see <http://www.gnu.org/licenses/>.
|
||||
*/
|
||||
|
||||
#ifndef TK_SPLINE_H
|
||||
#define TK_SPLINE_H
|
||||
#ifndef CATIMA_SPLINE_H
|
||||
#define CATIMA_SPLINE_H
|
||||
|
||||
#include <cstdio>
|
||||
#include <cassert>
|
||||
#include <vector>
|
||||
#include <algorithm>
|
||||
#include <array>
|
||||
#include "catima/constants.h"
|
||||
|
||||
#ifdef GSL_INTERPOLATION
|
||||
#include <gsl/gsl_spline.h>
|
||||
#endif
|
||||
|
||||
namespace catima
|
||||
{
|
||||
|
||||
// band matrix solver
|
||||
class band_matrix
|
||||
enum interpolation_t {cspline, linear};
|
||||
|
||||
/**
|
||||
* Tridiagonal matrix solver
|
||||
*/
|
||||
|
||||
template<int N>
|
||||
class tridiagonal_matrix
|
||||
{
|
||||
private:
|
||||
std::vector<double> a;
|
||||
std::vector<double> d;
|
||||
std::vector<double> c;
|
||||
std::vector<double> save;
|
||||
std::array<double,N> a;
|
||||
std::array<double,N> d;
|
||||
std::array<double,N> c;
|
||||
public:
|
||||
band_matrix() {}; // constructor
|
||||
band_matrix(int dim); // constructor
|
||||
~band_matrix() {}; // destructor
|
||||
void resize(int dim); // init with dim,n_u,n_l
|
||||
int dim() const; // matrix dimension
|
||||
tridiagonal_matrix() {}
|
||||
|
||||
// access operator
|
||||
double & operator () (int i, int j); // write
|
||||
double operator () (int i, int j) const; // read
|
||||
// we can store an additional diogonal (in m_lower)
|
||||
std::vector<double> trig_solve(const std::vector<double>& b) const;
|
||||
double & operator () (unsigned int i, unsigned int j); // write
|
||||
double operator () (unsigned int i, unsigned int j) const; // read
|
||||
std::array<double, N> trig_solve(const std::array<double, N>& b) const;
|
||||
};
|
||||
|
||||
|
||||
// spline interpolation
|
||||
class spline
|
||||
template<int N>
|
||||
double & tridiagonal_matrix<N>::operator () (unsigned int i, unsigned int j)
|
||||
{
|
||||
public:
|
||||
enum class bd_type {
|
||||
first_deriv = 1,
|
||||
second_deriv = 2
|
||||
};
|
||||
int k=j-i;
|
||||
if(k == -1)return c[i];
|
||||
else if(k==0) return d[i];
|
||||
else return a[i];
|
||||
}
|
||||
|
||||
private:
|
||||
const double *m_x, *m_y; // x,y coordinates of points
|
||||
size_t n=0;
|
||||
// interpolation parameters
|
||||
// f(x) = a*(x-x_i)^3 + b*(x-x_i)^2 + c*(x-x_i) + y_i
|
||||
std::vector<double> m_a,m_b,m_c; // spline coefficients
|
||||
double m_b0, m_c0; // for left extrapol
|
||||
bd_type m_left = bd_type::second_deriv;
|
||||
bd_type m_right = bd_type::second_deriv;
|
||||
double m_left_value = 0.0;
|
||||
double m_right_value = 0.0;
|
||||
bool m_force_linear_extrapolation = false;
|
||||
template<int N>
|
||||
double tridiagonal_matrix<N>::operator () (unsigned int i, unsigned int j) const
|
||||
{
|
||||
int k=j-i;
|
||||
if(k==-1)return c[i];
|
||||
else if(k==0) return d[i];
|
||||
else if(k==1)return a[i];
|
||||
else return 0.0;
|
||||
}
|
||||
|
||||
public:
|
||||
// set default boundary condition to be zero curvature at both ends
|
||||
spline(){}
|
||||
template<int N>
|
||||
std::array<double, N> tridiagonal_matrix<N>::trig_solve(const std::array<double, N>& b) const
|
||||
{
|
||||
std::array<double, N> x;
|
||||
if(d[0] == 0.0){return x;}
|
||||
std::array<double, N> g;
|
||||
x[0] = b[0]/d[0];
|
||||
double bet = d[0];
|
||||
for(std::size_t j=1, max=N;j<max;j++){
|
||||
g[j] = c[j-1]/bet;
|
||||
bet = d[j] - (a[j]*g[j]);
|
||||
if(bet == 0.0){
|
||||
x.fill(0.0);
|
||||
return x;
|
||||
}
|
||||
x[j] = (b[j]-a[j]*x[j-1])/bet;
|
||||
}
|
||||
for(int j=N-2;j>=0;j--){
|
||||
x[j] -= g[j+1]*x[j+1];
|
||||
}
|
||||
return x;
|
||||
}
|
||||
|
||||
// optional, but if called it has to come be before set_points()
|
||||
void set_boundary(bd_type left, double left_value,
|
||||
bd_type right, double right_value,
|
||||
bool force_linear_extrapolation=false);
|
||||
void set_points(const double *x,
|
||||
const double *y,
|
||||
const size_t num);
|
||||
double operator() (double x) const;
|
||||
double deriv(int order, double x) const;
|
||||
|
||||
/**
|
||||
* Cubic Spline class, accepting EnergyTable type as x-variable
|
||||
*/
|
||||
template<typename T>
|
||||
struct cspline_special{
|
||||
constexpr static int N = T::size();
|
||||
cspline_special(const T& x,
|
||||
const std::vector<double>& y,
|
||||
bool boundary_second_deriv = true);
|
||||
cspline_special() = default;
|
||||
|
||||
const T *table;
|
||||
const double *m_x;
|
||||
const double *m_y;
|
||||
std::array<double,N> m_a,m_b,m_c;
|
||||
double m_b0, m_c0;
|
||||
|
||||
|
||||
double operator()(double x)const{return evaluate(x);}
|
||||
double evaluate(double x) const
|
||||
{
|
||||
int idx=std::max( table->index(x), 0);
|
||||
double h=x-m_x[idx];
|
||||
double interpol;
|
||||
if(x<m_x[0]) {
|
||||
// extrapolation to the left
|
||||
interpol=(m_b0*h + m_c0)*h + m_y[0];
|
||||
} else if(x>m_x[N-1]) {
|
||||
// extrapolation to the right
|
||||
interpol=(m_b[N-1]*h + m_c[N-1])*h + m_y[N-1];
|
||||
} else {
|
||||
// interpolation
|
||||
interpol=((m_a[idx]*h + m_b[idx])*h + m_c[idx])*h + m_y[idx];
|
||||
}
|
||||
return interpol;
|
||||
}
|
||||
|
||||
|
||||
double deriv(double x) const
|
||||
{
|
||||
int idx=std::max( table->index(x), 0);
|
||||
|
||||
double h=x-m_x[idx];
|
||||
double interpol;
|
||||
if(x<m_x[0]) {
|
||||
// extrapolation to the left
|
||||
interpol=2.0*m_b0*h + m_c0;
|
||||
} else if(x>m_x[N-1]) {
|
||||
// extrapolation to the right
|
||||
interpol=2.0*m_b[N-1]*h + m_c[N-1];
|
||||
} else {
|
||||
// interpolation
|
||||
interpol=(3.0*m_a[idx]*h + 2.0*m_b[idx])*h + m_c[idx];
|
||||
}
|
||||
return interpol;
|
||||
}
|
||||
static_assert (T::size()>2, "N must be > 2");
|
||||
};
|
||||
|
||||
} // namespace tk
|
||||
template<typename T>
|
||||
cspline_special<T>::cspline_special(const T &x,
|
||||
const std::vector<double>& y,
|
||||
bool boundary_second_deriv
|
||||
):table(&x),m_y(y.data()),m_x(x.values)
|
||||
{
|
||||
static_assert (N>2, "N must be > 2");
|
||||
tridiagonal_matrix<N> A{};
|
||||
std::array<double, N> rhs;
|
||||
for(std::size_t i=1; i<N-1; i++) {
|
||||
A(i,i-1)=1.0/3.0*(x[i]-x[i-1]);
|
||||
A(i,i)=2.0/3.0*(x[i+1]-x[i-1]);
|
||||
A(i,i+1)=1.0/3.0*(x[i+1]-x[i]);
|
||||
rhs[i]=(y[i+1]-y[i])/(x[i+1]-x[i]) - (y[i]-y[i-1])/(x[i]-x[i-1]);
|
||||
}
|
||||
// boundary conditions
|
||||
if(boundary_second_deriv) {
|
||||
// 2*b[0] = f''
|
||||
A(0,0)=2.0;
|
||||
A(0,1)=0.0;
|
||||
rhs[0]=0.0; // 0.0 is value of derivative
|
||||
A(N-1,N-1)=2.0;
|
||||
A(N-1,N-2)=0.0;
|
||||
rhs[N-1]=0.0; // 0.0 is value of derivative
|
||||
} else {
|
||||
// c[0] = f', needs to be re-expressed in terms of b:
|
||||
// (2b[0]+b[1])(x[1]-x[0]) = 3 ((y[1]-y[0])/(x[1]-x[0]) - f')
|
||||
A(0,0)=2.0*(x[1]-x[0]);
|
||||
A(0,1)=1.0*(x[1]-x[0]);
|
||||
rhs[0]=3.0*((y[1]-y[0])/(x[1]-x[0])-0.0); // 0.0 is deriv value
|
||||
|
||||
#endif /* TK_SPLINE_H */
|
||||
// c[n-1] = f', needs to be re-expressed in terms of b:
|
||||
// (b[n-2]+2b[n-1])(x[n-1]-x[n-2])
|
||||
// = 3 (f' - (y[n-1]-y[n-2])/(x[n-1]-x[n-2]))
|
||||
A(N-1,N-1)=2.0*(x[N-1]-x[N-2]);
|
||||
A(N-1,N-2)=1.0*(x[N-1]-x[N-2]);
|
||||
rhs[N-1]=3.0*(0.0-(y[N-1]-y[N-2])/(x[N-1]-x[N-2]));
|
||||
}
|
||||
|
||||
|
||||
m_b=A.trig_solve(rhs);
|
||||
|
||||
// calculate parameters a[] and c[] based on b[]
|
||||
for(int i=0; i<N-1; i++) {
|
||||
m_a[i]=1.0/3.0*(m_b[i+1]-m_b[i])/(x[i+1]-x[i]);
|
||||
m_c[i]=(y[i+1]-y[i])/(x[i+1]-x[i])
|
||||
- 1.0/3.0*(2.0*m_b[i]+m_b[i+1])*(x[i+1]-x[i]);
|
||||
}
|
||||
|
||||
|
||||
// for left extrapolation coefficients
|
||||
//s.m_b0 = (m_force_linear_extrapolation==false) ? s.m_b[0] : 0.0;
|
||||
m_b0 = 0.0;
|
||||
m_c0 = m_c[0];
|
||||
|
||||
double h=x[N-1]-x[N-2];
|
||||
m_a[N-1]=0.0;
|
||||
m_c[N-1]=3.0*m_a[N-2]*h*h+2.0*m_b[N-2]*h+m_c[N-2]; // = f'_{n-2}(x_{n-1})
|
||||
m_b[N-1]=0.0;
|
||||
}
|
||||
|
||||
} // namespace end
|
||||
|
||||
#endif
|
||||
|
|
|
|||
150
storage.cpp
150
storage.cpp
|
|
@ -29,11 +29,72 @@ namespace catima {
|
|||
return false;
|
||||
}
|
||||
}
|
||||
|
||||
DataPoint::~DataPoint(){
|
||||
|
||||
|
||||
#ifdef GSL_INTERPOLATION
|
||||
//////////// Interpolator ////////////////////////////////
|
||||
InterpolatorGSL::InterpolatorGSL(const EnergyTable<max_datapoints>& x, const std::vector<double>& y, interpolation_t type){
|
||||
acc = gsl_interp_accel_alloc ();
|
||||
const int num = y.size();
|
||||
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.values, y.data(), num);
|
||||
min= x[0];
|
||||
max= x[num-1];
|
||||
|
||||
}
|
||||
|
||||
InterpolatorGSL::~InterpolatorGSL(){
|
||||
gsl_interp_accel_free (acc);
|
||||
gsl_spline_free (spline);
|
||||
}
|
||||
|
||||
double InterpolatorGSL::eval(double x) const{
|
||||
if(x<min)x=min;
|
||||
if(x>max)x=max;
|
||||
return gsl_spline_eval(spline, x, acc);
|
||||
}
|
||||
|
||||
double InterpolatorGSL::derivative(double x)const{
|
||||
if(x<min)x=min;
|
||||
if(x>max)x=max;
|
||||
return gsl_spline_eval_deriv (spline, x, acc);
|
||||
}
|
||||
#endif
|
||||
|
||||
#ifdef STORE_SPLINES
|
||||
const Interpolator& get_range_spline(const DataPoint &data){
|
||||
return data.range_spline;
|
||||
}
|
||||
|
||||
|
||||
const Interpolator& get_range_straggling_spline(const DataPoint &data){
|
||||
return data.range_straggling_spline;
|
||||
}
|
||||
|
||||
const Interpolator& get_angular_variance_spline(const DataPoint &data){
|
||||
return data.angular_variance_spline;
|
||||
}
|
||||
#else
|
||||
Interpolator get_range_spline(const DataPoint &data){
|
||||
//return Interpolator(energy_table.values,data.range);
|
||||
//return data.range_spline;
|
||||
return Interpolator(energy_table,data.range);
|
||||
}
|
||||
|
||||
Interpolator get_range_straggling_spline(const DataPoint &data){
|
||||
//return Interpolator(energy_table.values,data.range_straggling);
|
||||
//return data.range_straggling_spline;
|
||||
return Interpolator(energy_table,data.range_straggling);
|
||||
}
|
||||
|
||||
Interpolator get_angular_variance_spline(const DataPoint &data){
|
||||
//return Interpolator(energy_table.values,data.angular_variance);
|
||||
//return data.angular_variance_spline;
|
||||
return Interpolator(energy_table,data.angular_variance);
|
||||
}
|
||||
#endif
|
||||
Data::Data(){
|
||||
//storage.reserve(max_storage_data); // disabled because of "circular" storage
|
||||
storage.resize(max_storage_data);
|
||||
|
|
@ -57,15 +118,23 @@ void Data::Add(const Projectile &p, const Material &t, const Config &c){
|
|||
index->angular_variance = calculate_angular_variance(p,t,c);
|
||||
#else
|
||||
*index = calculate_DataPoint(p,t,c);
|
||||
#endif
|
||||
#ifdef STORE_SPLINES
|
||||
//index->range_spline = Interpolator(energy_table.values,index->range);
|
||||
//index->range_straggling_spline = Interpolator(energy_table.values,index->range_straggling);
|
||||
//index->angular_variance_spline = Interpolator(energy_table.values,index->angular_variance);
|
||||
index->range_spline = Interpolator(energy_table, index->range);
|
||||
index->range_straggling_spline = Interpolator(energy_table, index->range_straggling);
|
||||
index->angular_variance_spline = Interpolator(energy_table, index->angular_variance);
|
||||
#endif
|
||||
#endif
|
||||
|
||||
index++;
|
||||
}
|
||||
|
||||
DataPoint& Data::Get(const Projectile &p, const Material &t, const Config &c){
|
||||
DataPoint& Data::Get(const Projectile &p, const Material &t, const Config &c){
|
||||
for(auto &e:storage){
|
||||
if( (e.p==p) && (e.m==t) && (e.config==c)){
|
||||
return e;
|
||||
return e;
|
||||
}
|
||||
}
|
||||
Add(p,t,c);
|
||||
|
|
@ -73,71 +142,4 @@ DataPoint& Data::Get(const Projectile &p, const Material &t, const Config &c){
|
|||
return *std::prev(index);
|
||||
}
|
||||
|
||||
//////////// Interpolator ////////////////////////////////
|
||||
InterpolatorGSL::InterpolatorGSL(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];
|
||||
|
||||
}
|
||||
InterpolatorGSL::InterpolatorGSL(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];
|
||||
}
|
||||
|
||||
InterpolatorGSL::~InterpolatorGSL(){
|
||||
gsl_interp_accel_free (acc);
|
||||
gsl_spline_free (spline);
|
||||
}
|
||||
|
||||
double InterpolatorGSL::eval(double x){
|
||||
if(x<min)x=min;
|
||||
if(x>max)x=max;
|
||||
return gsl_spline_eval(spline, x, acc);
|
||||
}
|
||||
|
||||
double InterpolatorGSL::derivative(double x){
|
||||
if(x<min)x=min;
|
||||
if(x>max)x=max;
|
||||
return gsl_spline_eval_deriv (spline, x, acc);
|
||||
}
|
||||
|
||||
|
||||
//////////// Interpolator2 ////////////////////////////////
|
||||
#ifdef BUILTIN_SPLINE
|
||||
Interpolator2::Interpolator2(const double *x, const double *y, int num){
|
||||
ss.set_points(x,y,num);
|
||||
min= x[0];
|
||||
max= x[num-1];
|
||||
|
||||
}
|
||||
|
||||
double Interpolator2::eval(double x){
|
||||
if(x<min)x=min;
|
||||
if(x>max)x=max;
|
||||
return ss(x);
|
||||
}
|
||||
|
||||
double Interpolator2::derivative(double x){
|
||||
if(x<min)x=min;
|
||||
if(x>max)x=max;
|
||||
return ss.deriv(1,x);
|
||||
}
|
||||
#endif
|
||||
|
||||
}
|
||||
|
|
|
|||
224
storage.h
224
storage.h
|
|
@ -18,24 +18,23 @@
|
|||
#define STORAGE
|
||||
|
||||
#include <vector>
|
||||
#include <array>
|
||||
#include <iterator>
|
||||
#include <cmath>
|
||||
//#include <unordered_set>
|
||||
#include <gsl/gsl_spline.h>
|
||||
#include "catima/build_config.h"
|
||||
#include "catima/constants.h"
|
||||
#include "catima/structures.h"
|
||||
#include "catima/config.h"
|
||||
|
||||
#ifdef BUILTIN_SPLINE
|
||||
#include "catima/spline.h"
|
||||
#endif
|
||||
|
||||
|
||||
namespace catima{
|
||||
|
||||
enum interpolation_t {cspline, linear};
|
||||
|
||||
/**
|
||||
* Class to store energy points, log spaced from logmin to logmax.
|
||||
*/
|
||||
template<int N>
|
||||
struct EnergyTable{
|
||||
EnergyTable(double logmin, double logmax):values(),step(0.0),num(N){
|
||||
|
|
@ -45,10 +44,18 @@ namespace catima{
|
|||
}
|
||||
}
|
||||
double operator()(int i)const{return values[i];}
|
||||
double operator[](int i)const{return values[i];}
|
||||
static constexpr int size() {return N;};
|
||||
double values[N];
|
||||
double step;
|
||||
double* begin(){return values;}
|
||||
double* end(){return &values[num-1];}
|
||||
double* end(){return &values[num];}
|
||||
int index(double v)const noexcept{
|
||||
double lxval = (log(v/values[0])/M_LN10);
|
||||
if(v<values[0] || step==0.0)return -1;
|
||||
if(v>=values[N-1])return N-1;
|
||||
return static_cast<int> (std::floor(lxval/step));
|
||||
};
|
||||
std::size_t num;
|
||||
};
|
||||
|
||||
|
|
@ -75,109 +82,146 @@ namespace catima{
|
|||
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;
|
||||
//////////////////////////////////////////////////////////////////////////////////////
|
||||
#ifdef GSL_INTERPOLATION
|
||||
/// Interpolation class, to store interpolated values
|
||||
class InterpolatorGSL{
|
||||
public:
|
||||
InterpolatorGSL(){};
|
||||
InterpolatorGSL(const EnergyTable<max_datapoints>& x, const std::vector<double>& y, interpolation_t type=cspline);
|
||||
~InterpolatorGSL();
|
||||
double operator()(double x)const{return eval(x);};
|
||||
double eval(double x) const;
|
||||
double derivative(double x) const;
|
||||
double get_min()const{return min;};
|
||||
double get_max()const{return max;};
|
||||
|
||||
private:
|
||||
double min=0;
|
||||
double max=0;
|
||||
gsl_interp_accel *acc;
|
||||
gsl_spline *spline;
|
||||
};
|
||||
#endif
|
||||
|
||||
class InterpolatorCSpline{
|
||||
public:
|
||||
using xtype = EnergyTable<max_datapoints>;
|
||||
InterpolatorCSpline()=default;
|
||||
InterpolatorCSpline(const xtype &table, const std::vector<double> &y):
|
||||
min(table.values[0]), max(table.values[max_datapoints-1]), ss(table,y){}
|
||||
double operator()(double x)const{return eval(x);}
|
||||
double eval(double x)const{return ss.evaluate(x);}
|
||||
double derivative(double x)const{return ss.deriv(x);}
|
||||
double get_min()const{return min;}
|
||||
double get_max()const{return max;}
|
||||
|
||||
private:
|
||||
double min=0;
|
||||
double max=0;
|
||||
cspline_special<xtype> ss;
|
||||
};
|
||||
*/
|
||||
|
||||
// return vector with lineary spaced elements from a to b, num is number of elements
|
||||
inline std::vector<double> linspace_vector(double a, double b, unsigned int num){
|
||||
std::vector<double> res;
|
||||
if(num>=2 && a<b){
|
||||
res.resize(num);
|
||||
double step = (b-a)/(num-1);
|
||||
for(unsigned int i=0;i<(num-1);i++){
|
||||
res[i]=a+(i*step);
|
||||
}
|
||||
res[num-1] = b;
|
||||
}
|
||||
return res;
|
||||
}
|
||||
#ifdef GSL_INTERPOLATION
|
||||
using Interpolator = InterpolatorGSL;
|
||||
#else
|
||||
using Interpolator = InterpolatorCSpline;
|
||||
#endif
|
||||
|
||||
class DataPoint{
|
||||
#ifdef STORE_SPLINES
|
||||
using spline_type = const Interpolator&;
|
||||
#else
|
||||
using spline_type = Interpolator;
|
||||
#endif
|
||||
|
||||
// return vector with lineary spaced elements from a to b, num is number of elements
|
||||
|
||||
/**
|
||||
* @brief structure to store calculated data points and optionally also splines
|
||||
*/
|
||||
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,const Config &_c=default_config):p(_p),m(_m),config(_c){};
|
||||
~DataPoint();
|
||||
std::vector<double> range;
|
||||
std::vector<double> range_straggling;
|
||||
std::vector<double> angular_variance;
|
||||
#ifdef STORE_SPLINES
|
||||
Interpolator range_spline;
|
||||
Interpolator range_straggling_spline;
|
||||
Interpolator angular_variance_spline;
|
||||
#endif
|
||||
DataPoint()=default;
|
||||
DataPoint(const Projectile _p, const Material _m,const Config &_c=default_config):p(_p),m(_m),config(_c){}
|
||||
DataPoint(const DataPoint&)=delete;
|
||||
DataPoint(DataPoint&&)=default;
|
||||
DataPoint& operator=(const DataPoint&)=default;
|
||||
DataPoint& operator=(DataPoint&&)=default;
|
||||
friend bool operator==(const DataPoint &a, const DataPoint &b);
|
||||
};
|
||||
|
||||
class Data{
|
||||
public:
|
||||
Data();
|
||||
~Data();
|
||||
void Add(const Projectile &p, const Material &t, const Config &c=default_config);
|
||||
int GetN() const {return storage.size();};
|
||||
void Reset(){storage.clear();storage.resize(max_storage_data);index=storage.begin();};
|
||||
DataPoint& Get(const Projectile &p, const Material &t, const Config &c=default_config);
|
||||
DataPoint& Get(unsigned int i){return storage[i];};
|
||||
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 InterpolatorGSL{
|
||||
public:
|
||||
InterpolatorGSL(const double *x, const double *y, int num,interpolation_t type=cspline);
|
||||
InterpolatorGSL(const std::vector<double>& x, const std::vector<double>& y,interpolation_t type=cspline);
|
||||
~InterpolatorGSL();
|
||||
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;
|
||||
};
|
||||
|
||||
#ifdef BUILTIN_SPLINE
|
||||
class Interpolator2{
|
||||
public:
|
||||
Interpolator2(const double *x, const double *y, int num);
|
||||
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;
|
||||
spline ss;
|
||||
};
|
||||
#ifdef STORE_SPLINES
|
||||
const Interpolator& get_range_spline(const DataPoint &data);
|
||||
const Interpolator& get_range_straggling_spline(const DataPoint &data);
|
||||
const Interpolator& get_angular_variance_spline(const DataPoint &data);
|
||||
#else
|
||||
Interpolator get_range_spline(const DataPoint &data);
|
||||
Interpolator get_range_straggling_spline(const DataPoint &data);
|
||||
Interpolator get_angular_variance_spline(const DataPoint &data);
|
||||
#endif
|
||||
|
||||
/**
|
||||
* @brief The Data class to store DataPoints
|
||||
*/
|
||||
class Data{
|
||||
public:
|
||||
Data();
|
||||
~Data();
|
||||
|
||||
/**
|
||||
* @brief Add new DataPoint
|
||||
* @param p - Projectile
|
||||
* @param t - Material
|
||||
* @param c - Config
|
||||
*/
|
||||
void Add(const Projectile &p, const Material &t, const Config &c=default_config);
|
||||
|
||||
int GetN() const {return storage.size();};
|
||||
void Reset(){storage.clear();storage.resize(max_storage_data);index=storage.begin();};
|
||||
|
||||
/**
|
||||
* @brief Get DataPoint reference for projectile-target-config combination
|
||||
* @param p - Projectile
|
||||
* @param t - Material
|
||||
* @param c - Config
|
||||
* @return reference to DataPoint
|
||||
*/
|
||||
DataPoint& Get(const Projectile &p, const Material &t, const Config &c=default_config);
|
||||
DataPoint& Get(unsigned int i){return storage[i];};
|
||||
int get_index() {return std::distance(storage.begin(),index);}
|
||||
|
||||
private:
|
||||
std::vector<DataPoint> storage;
|
||||
std::vector<DataPoint>::iterator index;
|
||||
};
|
||||
|
||||
extern Data _storage;
|
||||
|
||||
inline DataPoint& get_data(const Projectile &p, const Material &t, const Config &c=default_config){
|
||||
/**
|
||||
* @brief get_data - Get DataPoint from the global storage class
|
||||
* @param p - Projectile
|
||||
* @param t - Material
|
||||
* @param c - Config
|
||||
* @return const reference to DataPoint
|
||||
*/
|
||||
inline const DataPoint& get_data(const Projectile &p, const Material &t, const Config &c=default_config){
|
||||
return _storage.Get(p, t, c);
|
||||
}
|
||||
|
||||
bool operator==(const DataPoint &a, const DataPoint &b);
|
||||
|
||||
using InterpolatorLinear = InterpolatorGSL;
|
||||
using Interpolator = InterpolatorGSL;
|
||||
}
|
||||
|
||||
#endif
|
||||
|
|
|
|||
|
|
@ -217,6 +217,7 @@ class TestStructures(unittest.TestCase):
|
|||
energies = [100,500,1000]
|
||||
res2 = catima.dedx_from_range(p,graphite,energy=energies)
|
||||
self.assertEqual(len(res2),len(energies))
|
||||
self.assertEqual(len(res2),3)
|
||||
for i,e in enumerate(energies):
|
||||
r = catima.dedx_from_range(p, graphite, energy=e)
|
||||
self.assertAlmostEqual(res2[i], r, 0.1)
|
||||
|
|
|
|||
309
tests/test2.py
Normal file
309
tests/test2.py
Normal file
|
|
@ -0,0 +1,309 @@
|
|||
import sys
|
||||
sys.path.insert(0,"../build")
|
||||
import unittest
|
||||
import pycatima as catima
|
||||
import math
|
||||
|
||||
class TestStructures(unittest.TestCase):
|
||||
|
||||
def test_Projectile(self):
|
||||
print(catima.storage_info())
|
||||
p = catima.Projectile(238,92)
|
||||
self.assertEqual(p.A(),238)
|
||||
self.assertEqual(p.Z(),92)
|
||||
self.assertEqual(p.Q(),92)
|
||||
|
||||
p = catima.Projectile(238,92,90)
|
||||
self.assertEqual(p.A(),238)
|
||||
self.assertEqual(p.Z(),92)
|
||||
self.assertEqual(p.Q(),90)
|
||||
p.T(1000)
|
||||
self.assertEqual(p.T(),1000)
|
||||
p(500)
|
||||
self.assertEqual(p.T(),500)
|
||||
|
||||
p = catima.Projectile(238,92,90, T=100)
|
||||
self.assertEqual(p.T(),100)
|
||||
|
||||
def test_Material(self):
|
||||
mat = catima.Material()
|
||||
mat.add_element(12,6,1)
|
||||
self.assertEqual(mat.ncomponents(),1)
|
||||
mat.add_element(1,1,2)
|
||||
self.assertEqual(mat.ncomponents(),2)
|
||||
|
||||
mat2 = catima.Material([[12.01,6,1]])
|
||||
self.assertEqual(mat2.ncomponents(),1)
|
||||
self.assertEqual(mat2.molar_mass(),12.01)
|
||||
|
||||
mat3 = catima.Material([[12,6,1]])
|
||||
self.assertEqual(mat3.ncomponents(),1)
|
||||
self.assertEqual(mat3.molar_mass(),12)
|
||||
|
||||
Water = catima.Material([[1,1,2],[16,8,1]])
|
||||
self.assertEqual(Water.molar_mass(),18)
|
||||
|
||||
mat2 = catima.Material([[0,6,1]])
|
||||
self.assertEqual(mat2.ncomponents(),1)
|
||||
self.assertAlmostEqual(mat2.molar_mass(),12,1)
|
||||
|
||||
mat5 = catima.Material([[0,6,1]],density=1.9, thickness=0.5)
|
||||
self.assertEqual(mat5.ncomponents(),1)
|
||||
self.assertEqual(mat5.thickness(),0.5)
|
||||
self.assertEqual(mat5.density(),1.9)
|
||||
|
||||
mat6 = catima.Material([[0,6,1]],density=1.9, thickness=0.5,i_potential=80.0)
|
||||
self.assertEqual(mat6.ncomponents(),1)
|
||||
self.assertEqual(mat6.thickness(),0.5)
|
||||
self.assertEqual(mat6.density(),1.9)
|
||||
self.assertEqual(mat6.I(),80.0)
|
||||
|
||||
# copy
|
||||
mat3.density(1.8)
|
||||
matc = mat3.copy()
|
||||
self.assertEqual(matc.ncomponents(),1)
|
||||
self.assertEqual(matc.molar_mass(),12)
|
||||
self.assertEqual(matc.density(),1.8)
|
||||
mat3.density(2.0)
|
||||
self.assertEqual(matc.density(),1.8)
|
||||
self.assertEqual(mat3.density(),2.0)
|
||||
|
||||
|
||||
def test_default_material(self):
|
||||
m1 = catima.get_material(6);
|
||||
self.assertAlmostEqual(m1.molar_mass(),12,1)
|
||||
self.assertEqual(m1.ncomponents(),1)
|
||||
self.assertAlmostEqual(m1.density(),2.0,1)
|
||||
|
||||
m2 = catima.get_material(catima.material.Water)
|
||||
self.assertEqual(m2.ncomponents(),2)
|
||||
self.assertAlmostEqual(m2.molar_mass(),18,1)
|
||||
self.assertAlmostEqual(m2.density(),1.0,1)
|
||||
|
||||
m3 = catima.get_material(3001)
|
||||
self.assertEqual(m3.ncomponents(),0)
|
||||
self.assertAlmostEqual(m3.molar_mass(),0,1)
|
||||
self.assertAlmostEqual(m3.density(),0.0,1)
|
||||
|
||||
def test_layers(self):
|
||||
graphite = catima.get_material(6)
|
||||
graphite.thickness(0.5)
|
||||
p10 = catima.get_material(catima.material.P10)
|
||||
p10.thickness(0.01)
|
||||
n2 = catima.get_material(7)
|
||||
n2.thickness(0.02)
|
||||
|
||||
mat= catima.Layers()
|
||||
self.assertEqual(mat.num(),0)
|
||||
mat.add(graphite)
|
||||
self.assertEqual(mat.num(),1)
|
||||
self.assertAlmostEqual(mat[0].molar_mass(),12,1)
|
||||
self.assertAlmostEqual(mat[0].thickness(),0.5,1)
|
||||
self.assertAlmostEqual(mat[0].density(),2.0,1)
|
||||
|
||||
mat.add(p10)
|
||||
self.assertEqual(mat.num(),2)
|
||||
|
||||
graphite.thickness(1.0)
|
||||
graphite.density(1.8)
|
||||
mat.add(graphite)
|
||||
self.assertEqual(mat.num(),3)
|
||||
self.assertAlmostEqual(mat[2].molar_mass(),12,1)
|
||||
self.assertAlmostEqual(mat[0].thickness(),0.5,1)
|
||||
self.assertAlmostEqual(mat[0].density(),2.0,1)
|
||||
self.assertAlmostEqual(mat[2].thickness(),1.0,1)
|
||||
self.assertAlmostEqual(mat[2].density(),1.8,1)
|
||||
mat[2].thickness(1.2)
|
||||
mat[2].density(1.9)
|
||||
self.assertAlmostEqual(mat.materials[2].thickness(),1.2,1)
|
||||
self.assertAlmostEqual(mat.materials[2].density(),1.9,1)
|
||||
#self.assertAlmostEqual(mat.materials[0].thickness(),0.5,1)
|
||||
#self.assertAlmostEqual(mat.materials[0].density(),2.0,1)
|
||||
self.assertEqual(mat[3],None)
|
||||
self.assertEqual(mat["a"],None)
|
||||
|
||||
mat2 = catima.Layers()
|
||||
mat2.add(n2)
|
||||
self.assertEqual(mat2.num(),1)
|
||||
|
||||
mats = mat2 + mat
|
||||
self.assertEqual(mats.num(),4)
|
||||
self.assertAlmostEqual(mats[0].molar_mass(),14,1)
|
||||
self.assertEqual(mats[0].thickness(),0.02)
|
||||
self.assertAlmostEqual(mats[1].molar_mass(),12,1)
|
||||
self.assertAlmostEqual(mats[3].molar_mass(),12,1)
|
||||
|
||||
n2.thickness(0.5)
|
||||
mats = mats + n2
|
||||
self.assertEqual(mats.num(),5)
|
||||
self.assertAlmostEqual(mats[0].molar_mass(),14,1)
|
||||
self.assertEqual(mats[0].thickness(),0.02)
|
||||
self.assertAlmostEqual(mats[4].molar_mass(),14,1)
|
||||
self.assertEqual(mats[4].thickness(),0.5)
|
||||
|
||||
def test_material_calculation(self):
|
||||
Water = catima.get_material(catima.material.Water)
|
||||
p = catima.Projectile(1,1)
|
||||
|
||||
p(1000)
|
||||
res = catima.calculate(p,Water)
|
||||
res2 = catima.dedx(p,Water)
|
||||
self.assertAlmostEqual(res.dEdxi,2.23,1)
|
||||
self.assertAlmostEqual(res["dEdxi"],2.23,1)
|
||||
self.assertAlmostEqual(res.dEdxi,res2,3)
|
||||
res = catima.calculate(p(500),Water)
|
||||
res2 = catima.dedx(p,Water)
|
||||
self.assertAlmostEqual(res.dEdxi,2.76,1)
|
||||
self.assertAlmostEqual(res.dEdxi,res2,3)
|
||||
|
||||
res = catima.calculate(p(9),Water)
|
||||
res2 = catima.dedx(p,Water)
|
||||
self.assertAlmostEqual(res.dEdxi,51.17,1)
|
||||
self.assertAlmostEqual(res.dEdxi,res2,3)
|
||||
res = catima.calculate(p(9),Water)
|
||||
res = catima.calculate(p(9),Water)
|
||||
self.assertAlmostEqual(res.dEdxi,51.17,1)
|
||||
|
||||
p(900000)
|
||||
res = catima.calculate(p,Water)
|
||||
res2 = catima.dedx_from_range(p,Water)
|
||||
self.assertAlmostEqual(res.dEdxi,res2,3)
|
||||
|
||||
def test_config(self):
|
||||
Water = catima.get_material(catima.material.Water)
|
||||
Water.density(1.0)
|
||||
Water.thickness(1.0)
|
||||
p = catima.Projectile(1,1)
|
||||
conf = catima.Config()
|
||||
conf.dedx_straggling = catima.omega_type.bohr
|
||||
conf2 = catima.Config()
|
||||
conf2.dedx_straggling = catima.omega_type.atima
|
||||
p(1000)
|
||||
res = catima.calculate(p,Water,config=conf)
|
||||
res2 = catima.calculate(p,Water,config=conf2)
|
||||
self.assertAlmostEqual(res.dEdxi,res2.dEdxi,delta=1e-6)
|
||||
self.assertNotAlmostEqual(res.sigma_E,res2.sigma_E,delta=1e-4)
|
||||
self.assertNotAlmostEqual(res.sigma_r,res2.sigma_r,delta=1e-4)
|
||||
|
||||
|
||||
def test_eout(self):
|
||||
graphite = catima.get_material(6)
|
||||
graphite.thickness(0.5)
|
||||
p = catima.Projectile(12,6)
|
||||
res = catima.calculate(p(1000),graphite)
|
||||
res2 = catima.energy_out(p(1000),graphite)
|
||||
self.assertAlmostEqual(res.Eout,997.077,1)
|
||||
self.assertAlmostEqual(res["Eout"],997.077,1)
|
||||
self.assertAlmostEqual(res.Eout,res2,3)
|
||||
|
||||
def test_eout_list(self):
|
||||
graphite = catima.get_material(6)
|
||||
graphite.thickness(0.5)
|
||||
p = catima.Projectile(12,6)
|
||||
energies = [100,500,1000]
|
||||
res = catima.calculate(p(1000),graphite)
|
||||
self.assertAlmostEqual(res.Eout,997.077,1)
|
||||
res2 = catima.energy_out(p,graphite,energy=energies)
|
||||
self.assertEqual(len(res2),len(energies))
|
||||
self.assertAlmostEqual(res2[2], 997.077,1)
|
||||
self.assertAlmostEqual(res2[0], catima.calculate(p(energies[0]),graphite).Eout ,1)
|
||||
self.assertAlmostEqual(res2[1], catima.calculate(p(energies[1]),graphite).Eout ,1)
|
||||
|
||||
def test_dedx_from_range_list(self):
|
||||
graphite = catima.get_material(6)
|
||||
graphite.thickness(0.5)
|
||||
p = catima.Projectile(12,6)
|
||||
energies = [100,500,1000]
|
||||
res2 = catima.dedx_from_range(p,graphite,energy=energies)
|
||||
self.assertEqual(len(res2),len(energies))
|
||||
self.assertEqual(len(res2),3)
|
||||
for i,e in enumerate(energies):
|
||||
r = catima.dedx_from_range(p, graphite, energy=e)
|
||||
print(r)
|
||||
print(res2)
|
||||
self.assertAlmostEqual(res2[i], r, 0.1)
|
||||
|
||||
def test_layer_calculation(self):
|
||||
p = catima.Projectile(12,6)
|
||||
Water = catima.get_material(catima.material.Water)
|
||||
Water.thickness(10.0)
|
||||
graphite = catima.get_material(6)
|
||||
graphite.thickness(1.0)
|
||||
graphite.density(2.0)
|
||||
|
||||
mat = catima.Layers()
|
||||
mat.add(Water)
|
||||
mat.add(graphite)
|
||||
res = catima.calculate_layers(p(1000),mat)
|
||||
self.assertEqual(len(res.results),2)
|
||||
self.assertAlmostEqual(res.total_result.Eout,926.3,1)
|
||||
self.assertAlmostEqual(res.total_result.sigma_a,0.00269,1)
|
||||
self.assertAlmostEqual(res["Eout"],926.3,1)
|
||||
self.assertAlmostEqual(res["sigma_a"],0.00269,4)
|
||||
self.assertAlmostEqual(res["tof"],0.402,2)
|
||||
self.assertAlmostEqual(res["Eloss"],884,0)
|
||||
|
||||
self.assertAlmostEqual(res[0]["Eout"],932.24,0)
|
||||
self.assertAlmostEqual(res[1]["Eout"],926.3,0)
|
||||
self.assertAlmostEqual(res[0]["sigma_a"],0.00258,4)
|
||||
self.assertAlmostEqual(res[1]["sigma_a"],0.000774,4)
|
||||
self.assertAlmostEqual(res[0]["range"],107.1,0)
|
||||
self.assertAlmostEqual(res[1]["range"],111.3,0)
|
||||
|
||||
def test_energy_table(self):
|
||||
table = catima.get_energy_table()
|
||||
self.assertEqual(table[0],math.log(catima.logEmin))
|
||||
#self.assertEqual(table[10],catima.energy_table(10))
|
||||
self.assertEqual(len(table),catima.max_datapoints)
|
||||
|
||||
def test_storage(self):
|
||||
p = catima.Projectile(12,6)
|
||||
Water = catima.get_material(catima.material.Water)
|
||||
Water.thickness(10.0)
|
||||
graphite = catima.get_material(6)
|
||||
graphite.thickness(1.0)
|
||||
|
||||
data = catima.get_data(p, Water)
|
||||
print(data[0])
|
||||
et = catima.get_energy_table()
|
||||
|
||||
self.assertEqual(len(data),3)
|
||||
self.assertEqual(len(data[0]),len(et))
|
||||
self.assertEqual(len(data[0]),catima.max_datapoints)
|
||||
|
||||
res = catima.calculate(p(et[10]),Water)
|
||||
self.assertAlmostEqual(res.range,data[0][10],6)
|
||||
self.assertAlmostEqual(catima.projectile_range(p,Water),data[0][10],6)
|
||||
#self.assertAlmostEqual(catima.domega2de(p,Water),data[1][10],6)
|
||||
|
||||
res = catima.calculate(p(et[100]),Water)
|
||||
self.assertAlmostEqual(res.range,data[0][100],6)
|
||||
self.assertAlmostEqual(catima.projectile_range(p,Water),data[0][100],6)
|
||||
#self.assertAlmostEqual(catima.domega2de(p,Water),data[1][100],6)
|
||||
|
||||
res = catima.calculate(p(et[200]),Water)
|
||||
self.assertAlmostEqual(res.range,data[0][200],6)
|
||||
self.assertAlmostEqual(catima.projectile_range(p,Water),data[0][200],6)
|
||||
#self.assertAlmostEqual(catima.domega2de(p,Water),data[1][200],6)
|
||||
|
||||
res = catima.calculate(p(et[401]),Water)
|
||||
self.assertAlmostEqual(res.range,data[0][401],6)
|
||||
self.assertAlmostEqual(catima.projectile_range(p,Water),data[0][401],6)
|
||||
#self.assertAlmostEqual(catima.domega2de(p,Water),data[1][401],6)
|
||||
|
||||
def test_python_storage_access(self):
|
||||
|
||||
p = catima.Projectile(12,6)
|
||||
Water = catima.get_material(catima.material.Water)
|
||||
Water.thickness(10.0)
|
||||
graphite = catima.get_material(6)
|
||||
graphite.thickness(1.0)
|
||||
data = catima.get_data(p, Water)
|
||||
self.assertEqual(catima.max_storage_data,100) # assuming 50, this has to be changed manually
|
||||
r = catima.storage_info()
|
||||
|
||||
#self.assertAlmostEqual(catima.da2de(p,Water,et[100]),data[2][100],6)
|
||||
#self.assertAlmostEqual(catima.da2de(p,Water,et[400]),data[2][400],6)
|
||||
|
||||
if __name__ == "__main__":
|
||||
unittest.main()
|
||||
|
|
@ -57,18 +57,18 @@ const lest::test specification[] =
|
|||
EXPECT(catima::_storage.get_index()==0);
|
||||
|
||||
catima::_storage.Add(p,water);
|
||||
auto dp = catima::_storage.Get(0);
|
||||
auto& dp = catima::_storage.Get(0);
|
||||
EXPECT(catima::_storage.get_index()==1);
|
||||
EXPECT(dp.p.A==12);
|
||||
EXPECT(dp.m.ncomponents()==2);
|
||||
catima::_storage.Add(p,water);
|
||||
auto dp2 = catima::_storage.Get(1);
|
||||
auto& dp2 = catima::_storage.Get(1);
|
||||
EXPECT(catima::_storage.get_index()==1);
|
||||
EXPECT(dp2.p.A==0);
|
||||
EXPECT(dp2.m.ncomponents()==0);
|
||||
|
||||
catima::_storage.Add(p,graphite);
|
||||
auto dp3 = catima::_storage.Get(1);
|
||||
auto& dp3 = catima::_storage.Get(1);
|
||||
EXPECT(catima::_storage.get_index()==2);
|
||||
EXPECT(dp3.p.A==12);
|
||||
EXPECT(dp3.m.ncomponents()==1);
|
||||
|
|
|
|||
Loading…
Reference in New Issue
Block a user