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This commit is contained in:
hrocho 2022-03-23 15:35:57 +01:00
parent 96a03ffc22
commit 2dbab43646
9 changed files with 7251 additions and 11 deletions

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@ -17,6 +17,10 @@ environment:
CONFIG: Release
PYTHON: "C:\\Python39-x64"
PYTHON_ARCH: 64
- APPVEYOR_BUILD_WORKER_IMAGE: Visual Studio 2019
CONFIG: Release
PYTHON: "C:\\Python310-x64"
PYTHON_ARCH: 64
install:
- set PATH=%PYTHON%;%PYTHON%\Scripts;%PATH%
@ -33,6 +37,6 @@ build_script:
- cmake -DBUILD_SHARED_LIBS=OFF -DAPPS=OFF -G "Visual Studio 16 2019" -A%PLATFORM% ../
- cmake --build ./ --config "%CONFIG%" .
- python ../pymodule/setup.py bdist_wheel
artifacts:
- path: build\dist\*

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@ -352,10 +352,13 @@ Result calculate(Projectile p, const Material &t, const Config &c){
return res;
}
MultiResult calculate(const Projectile &p, const Layers &layers, const Config &c){
MultiResult calculate(const Projectile &p, const Phasespace &ps, const Layers &layers, const Config &c){
MultiResult res;
double e = p.T;
res.total_result.Ein = e;
res.total_result.sigma_a = ps.sigma_a*ps.sigma_a;
res.total_result.sigma_x = ps.sigma_x*ps.sigma_x;
res.total_result.cov = ps.cov_x;
res.results.reserve(layers.num());
for(auto&m:layers.get_materials()){
Result r = calculate(p,m,e,c);
@ -368,7 +371,6 @@ MultiResult calculate(const Projectile &p, const Layers &layers, const Config &c
res.total_result.sigma_x += (2*m.thickness_cm()*res.total_result.cov)
+ (a2*m.thickness_cm()*m.thickness_cm())
+ r.sigma_x*r.sigma_x;
//res.total_result.sigma_x += (a2*m.thickness_cm()*m.thickness_cm()) + r.sigma_x*r.sigma_x;
res.total_result.cov += a2*m.thickness_cm() + r.cov;
res.total_result.sigma_a += r.sigma_a*r.sigma_a;
#ifdef REACTIONS
@ -379,13 +381,13 @@ MultiResult calculate(const Projectile &p, const Layers &layers, const Config &c
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);
res.total_result.sigma_x = sqrt(res.total_result.sigma_x);
res.total_result.sigma_x = sqrt(std::abs(res.total_result.sigma_x));
}
else{
res.total_result.sigma_a = 0.0;
res.total_result.sigma_E = 0.0;
res.total_result.sigma_x = sqrt(res.total_result.sigma_x);
res.total_result.sigma_x = sqrt(std::abs(res.total_result.sigma_x));
}
return res;
}

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@ -203,7 +203,16 @@ namespace catima{
* @return results stored in MultiResult structure
*
*/
MultiResult calculate(const Projectile &p, const Layers &layers, const Config &c=default_config);
MultiResult calculate(const Projectile &p, const Phasespace &ps, const Layers &layers, const Config &c=default_config);
/**
* calculate observables for multiple layers of material defined by Layers
* @return results stored in MultiResult structure
*
*/
inline MultiResult calculate(const Projectile &p, const Layers &layers, const Config &c=default_config){
return calculate(p, {}, layers, c);
};
inline MultiResult calculate(Projectile p, double T, const Layers &layers, const Config &c=default_config){
return calculate(p(T), layers, c);
}

375
pymodule/Untitled.ipynb Normal file
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@ -0,0 +1,375 @@
{
"cells": [
{
"cell_type": "code",
"execution_count": 1,
"id": "fb77d2c3-50ab-4df4-8a84-9df4f830e1a6",
"metadata": {},
"outputs": [],
"source": [
"import pycatima as catima"
]
},
{
"cell_type": "code",
"execution_count": 2,
"id": "fddd4482-ab09-4b9b-9a22-c16765d97e07",
"metadata": {},
"outputs": [],
"source": [
"p = catima.Projectile(11.9967 ,6) "
]
},
{
"cell_type": "code",
"execution_count": 3,
"id": "22685960-8bee-4b0a-a527-020cbb8cb55f",
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"<pycatima.Projectile at 0x7f071c5879f0>"
]
},
"execution_count": 3,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"p"
]
},
{
"cell_type": "code",
"execution_count": 4,
"id": "d908af17-0b14-437a-ab44-55f03ace6ddd",
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"11.9967"
]
},
"execution_count": 4,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"p.A()"
]
},
{
"cell_type": "code",
"execution_count": 5,
"id": "439992b6-44c2-4874-853a-38c32698c8b1",
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"0.0"
]
},
"execution_count": 5,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"p.T()"
]
},
{
"cell_type": "code",
"execution_count": 6,
"id": "6987ad92-786d-4e72-af63-b96d30734b56",
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"<pycatima.Material at 0x7f071c125d70>"
]
},
"execution_count": 6,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"c_mat = catima.get_material(6)\n",
"c_mat.thickness(0.1) # set to 0.1g/cm2 \n"
]
},
{
"cell_type": "code",
"execution_count": 7,
"id": "5638c740-bdae-4058-b8d8-e85559f7f711",
"metadata": {},
"outputs": [],
"source": [
"water = catima.get_material(catima.material.Water)\n",
"water.thickness(1.0)\n",
"p = catima.Projectile(1,1)\n",
"p.T(1000) # set projectile energy to 1000MeV/u\n",
"\n",
"res = catima.calculate(p,water) # now res contains results\n",
"d = res.get_dict() # get results as dictionary"
]
},
{
"cell_type": "code",
"execution_count": 8,
"id": "ceed5bed-8fb9-486b-b6d5-684ab76a0cb2",
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"{'Ein': 1000.0, 'Eout': 997.7692418128505, 'Eloss': 2.2307581871494904, 'range': 323.0500169119558, 'dEdxi': 2.230252029979203, 'dEdxo': 2.2312658737371893, 'sigma_E': 0.4816776588879672, 'sigma_r': 2.8385797234616956, 'sigma_a': 0.0015850149758312381, 'sigma_x': 0.0009146866917885723, 'tof': 0.03808365330973146, 'sp': 0.9857382500219312}"
]
},
"execution_count": 8,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"res"
]
},
{
"cell_type": "code",
"execution_count": 9,
"id": "f491da2d-52f0-40d0-af1c-5b4ebf3f0098",
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"{'Ein': 1000.0,\n",
" 'Eout': 997.7692418128505,\n",
" 'Eloss': 2.2307581871494904,\n",
" 'range': 323.0500169119558,\n",
" 'dEdxi': 2.230252029979203,\n",
" 'dEdxo': 2.2312658737371893,\n",
" 'sigma_E': 0.4816776588879672,\n",
" 'sigma_r': 2.8385797234616956,\n",
" 'sigma_a': 0.0015850149758312381,\n",
" 'sigma_x': 0.0009146866917885723,\n",
" 'tof': 0.03808365330973146,\n",
" 'sp': 0.9857382500219312}"
]
},
"execution_count": 9,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"d"
]
},
{
"cell_type": "code",
"execution_count": 10,
"id": "5f83c7a6-7866-4eab-ad86-4107e751449c",
"metadata": {},
"outputs": [],
"source": [
"layers = catima.Layers()\n",
"\n",
"# define some materials\n",
"graphite = catima.get_material(6)\n",
"graphite.thickness(0.2)\n",
"p10 = catima.get_material(catima.material.P10)\n",
"p10.thickness_cm(2.0)\n",
"air = catima.get_material(catima.material.Air)\n",
"air.thickness_cm(2.0)\n",
"\n",
"# now add materials to layers\n",
"layers.add(graphite)\n",
"layers.add(air)\n",
"graphite.thickness(0.1) # change thickness for next layer\n",
"layers.add(graphite)\n",
"layers.add(p10)\n"
]
},
{
"cell_type": "code",
"execution_count": 11,
"id": "02c81c5a-1242-4f03-962b-cef69aeaad99",
"metadata": {},
"outputs": [],
"source": [
"res = catima.calculate(p(1000),layers)"
]
},
{
"cell_type": "code",
"execution_count": 12,
"id": "ccb350dd-8d1f-407a-8f9a-d53de42fc654",
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"{'result': {'Ein': 1000.0, 'Eout': 999.4113223554237, 'Eloss': 0.5886776445762507, 'range': 0.0, 'dEdxi': 0.0, 'dEdxo': 0.0, 'sigma_E': 0.25258015892534263, 'sigma_r': 0.0, 'sigma_a': 0.0008105438781825326, 'sigma_x': 0.0028414668152919806, 'tof': 0.15803112260593277, 'sp': 0.9960612923096187}, 'partial': [{'Ein': 1000.0, 'Eout': 999.6144088178809, 'Eloss': 0.38559118211912846, 'range': 370.34107871008774, 'dEdxi': 1.9279559105959254, 'dEdxo': 1.9281222645760208, 'sigma_E': 0.2043916761400348, 'sigma_r': 3.320054098523407, 'sigma_a': 0.0006511083630327794, 'sigma_x': 3.7589642138821556e-05, 'tof': 0.0038076499236034604, 'sp': 0.9973943311229859}, {'Ein': 999.6144088178809, 'Eout': 999.6096791284646, 'Eloss': 0.004729689416308247, 'range': 367.54726599902557, 'dEdxi': 1.9625267287729011, 'dEdxo': 1.9625285937327144, 'sigma_E': 0.022426056181820767, 'sigma_r': 3.2641418575527372, 'sigma_a': 7.719573732472228e-05, 'sigma_x': 8.91381137967358e-05, 'tof': 0.07615857885144703, 'sp': 0.9999704176008014}, {'Ein': 999.6096791284646, 'Eout': 999.4168666978572, 'Eloss': 0.19281243060731867, 'range': 370.13863433517764, 'dEdxi': 1.9281243060736846, 'dEdxo': 1.9282075509751584, 'sigma_E': 0.14450724143913393, 'sigma_r': 3.318340585835106, 'sigma_a': 0.00046052059024485003, 'sigma_x': 1.3293727874383622e-05, 'tof': 0.0019039537532974601, 'sp': 0.9986963076302396}, {'Ein': 999.4168666978572, 'Eout': 999.4113223554237, 'Eloss': 0.005544342433495331, 'range': 434.2162832834797, 'dEdxi': 1.6699826606974904, 'dEdxo': 1.6699844480490684, 'sigma_E': 0.025209295571279575, 'sigma_r': 3.9998174793027084, 'sigma_a': 0.00012247808843781765, 'sigma_x': 0.0001414257590907637, 'tof': 0.07616094007758482, 'sp': 0.9999967104714518}]}"
]
},
"execution_count": 12,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"res"
]
},
{
"cell_type": "code",
"execution_count": 13,
"id": "82bcd70b-6eed-4406-94a7-e1f0c5102fdd",
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"{'result': {'Ein': 1000.0,\n",
" 'Eout': 999.4113223554237,\n",
" 'Eloss': 0.5886776445762507,\n",
" 'range': 0.0,\n",
" 'dEdxi': 0.0,\n",
" 'dEdxo': 0.0,\n",
" 'sigma_E': 0.25258015892534263,\n",
" 'sigma_r': 0.0,\n",
" 'sigma_a': 0.0008105438781825326,\n",
" 'sigma_x': 0.0028414668152919806,\n",
" 'tof': 0.15803112260593277,\n",
" 'sp': 0.9960612923096187},\n",
" 'partial': [{'Ein': 1000.0,\n",
" 'Eout': 999.6144088178809,\n",
" 'Eloss': 0.38559118211912846,\n",
" 'range': 370.34107871008774,\n",
" 'dEdxi': 1.9279559105959254,\n",
" 'dEdxo': 1.9281222645760208,\n",
" 'sigma_E': 0.2043916761400348,\n",
" 'sigma_r': 3.320054098523407,\n",
" 'sigma_a': 0.0006511083630327794,\n",
" 'sigma_x': 3.7589642138821556e-05,\n",
" 'tof': 0.0038076499236034604,\n",
" 'sp': 0.9973943311229859},\n",
" {'Ein': 999.6144088178809,\n",
" 'Eout': 999.6096791284646,\n",
" 'Eloss': 0.004729689416308247,\n",
" 'range': 367.54726599902557,\n",
" 'dEdxi': 1.9625267287729011,\n",
" 'dEdxo': 1.9625285937327144,\n",
" 'sigma_E': 0.022426056181820767,\n",
" 'sigma_r': 3.2641418575527372,\n",
" 'sigma_a': 7.719573732472228e-05,\n",
" 'sigma_x': 8.91381137967358e-05,\n",
" 'tof': 0.07615857885144703,\n",
" 'sp': 0.9999704176008014},\n",
" {'Ein': 999.6096791284646,\n",
" 'Eout': 999.4168666978572,\n",
" 'Eloss': 0.19281243060731867,\n",
" 'range': 370.13863433517764,\n",
" 'dEdxi': 1.9281243060736846,\n",
" 'dEdxo': 1.9282075509751584,\n",
" 'sigma_E': 0.14450724143913393,\n",
" 'sigma_r': 3.318340585835106,\n",
" 'sigma_a': 0.00046052059024485003,\n",
" 'sigma_x': 1.3293727874383622e-05,\n",
" 'tof': 0.0019039537532974601,\n",
" 'sp': 0.9986963076302396},\n",
" {'Ein': 999.4168666978572,\n",
" 'Eout': 999.4113223554237,\n",
" 'Eloss': 0.005544342433495331,\n",
" 'range': 434.2162832834797,\n",
" 'dEdxi': 1.6699826606974904,\n",
" 'dEdxo': 1.6699844480490684,\n",
" 'sigma_E': 0.025209295571279575,\n",
" 'sigma_r': 3.9998174793027084,\n",
" 'sigma_a': 0.00012247808843781765,\n",
" 'sigma_x': 0.0001414257590907637,\n",
" 'tof': 0.07616094007758482,\n",
" 'sp': 0.9999967104714518}]}"
]
},
"execution_count": 13,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"res.get_dict()"
]
},
{
"cell_type": "code",
"execution_count": 14,
"id": "030baf84-745f-41dc-bcec-a5d5d9455974",
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"{'Ein': 1000.0,\n",
" 'Eout': 997.7692418128505,\n",
" 'Eloss': 2.2307581871494904,\n",
" 'range': 323.0500169119558,\n",
" 'dEdxi': 2.230252029979203,\n",
" 'dEdxo': 2.2312658737371893,\n",
" 'sigma_E': 0.4816776588879672,\n",
" 'sigma_r': 2.8385797234616956,\n",
" 'sigma_a': 0.0015850149758312381,\n",
" 'sigma_x': 0.0009146866917885723,\n",
" 'tof': 0.03808365330973146,\n",
" 'sp': 0.9857382500219312}"
]
},
"execution_count": 14,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"d"
]
},
{
"cell_type": "code",
"execution_count": null,
"id": "5448c9a5-db62-4c0c-8718-8213235b1b3a",
"metadata": {},
"outputs": [],
"source": []
}
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"language": "python",
"name": "python3"
},
"language_info": {
"codemirror_mode": {
"name": "ipython",
"version": 3
},
"file_extension": ".py",
"mimetype": "text/x-python",
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.9.5"
}
},
"nbformat": 4,
"nbformat_minor": 5
}

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@ -12,7 +12,7 @@ namespace py = pybind11;
using namespace catima;
std::string catima_info(){
return "CATIMA version = 1.6\n";
return "CATIMA version = 1.7\n";
}
std::string material_to_string(const Material &r){
@ -98,6 +98,7 @@ py::dict get_result_dict(const Result& r){
d["sigma_r"] = r.sigma_r;
d["sigma_a"] = r.sigma_a;
d["sigma_x"] = r.sigma_x;
d["cov"] = r.cov;
d["tof"] = r.tof;
d["sp"] = r.sp;
return d;
@ -124,6 +125,12 @@ PYBIND11_MODULE(pycatima,m){
.def_readwrite("Z",&Target::Z)
.def_readwrite("stn",&Target::stn);
py::class_<Phasespace>(m, "Phasespace")
.def(py::init<>(),"constructor")
.def_readwrite("sigma_x", &Phasespace::sigma_x)
.def_readwrite("sigma_a", &Phasespace::sigma_a)
.def_readwrite("cov_x", &Phasespace::cov_x);
py::class_<Material>(m,"Material")
.def(py::init<>(),"constructor")
@ -173,6 +180,7 @@ PYBIND11_MODULE(pycatima,m){
.def_readwrite("sigma_a", &Result::sigma_a)
.def_readwrite("sigma_r", &Result::sigma_r)
.def_readwrite("sigma_x", &Result::sigma_x)
.def_readwrite("cov", &Result::cov)
.def_readwrite("tof", &Result::tof)
.def_readwrite("sp", &Result::sp)
.def("get_dict",&get_result_dict)
@ -218,11 +226,11 @@ PYBIND11_MODULE(pycatima,m){
.def("__repr__",[](const MultiResult &r){
py::dict d;
py::list p;
d["result"] = get_result_dict(r.total_result);
d["total_result"] = get_result_dict(r.total_result);
for(auto& entry:r.results){
p.append(get_result_dict(entry));
}
d["partial"] = p;
d["results"] = p;
return py::str(d);
});
@ -440,6 +448,7 @@ PYBIND11_MODULE(pycatima,m){
m.def("sezi_dedx_e",&sezi_dedx_e, "sezi_dedx_e", py::arg("projectile"), py::arg("material"), py::arg("config")=default_config);
m.def("calculate",py::overload_cast<Projectile, const Material&, const Config&>(&calculate),"calculate",py::arg("projectile"), py::arg("material"), py::arg("config")=default_config);
m.def("calculate",py::overload_cast<const Projectile&, const Layers&, const Config&>(&calculate),"calculate",py::arg("projectile"), py::arg("layers"), py::arg("config")=default_config);
m.def("calculate",py::overload_cast<const Projectile&, const Phasespace&, const Layers&, const Config&>(&calculate),"calculate",py::arg("projectile"), py::arg("phasespace"),py::arg("layers"), py::arg("config")=default_config);
m.def("calculate_layers",py::overload_cast<const Projectile&, const Layers&, const Config&>(&calculate),"calculate_layers",py::arg("projectile"), py::arg("material"), py::arg("config")=default_config);
m.def("dedx_from_range",py::overload_cast<const Projectile&, const Material&, const Config&>(&dedx_from_range),"calculate",py::arg("projectile") ,py::arg("material"), py::arg("config")=default_config);
m.def("dedx_from_range",py::overload_cast<const Projectile&, const std::vector<double>&, const Material&, const Config&>(&dedx_from_range),"calculate",py::arg("projectile"), py::arg("energy") ,py::arg("material"), py::arg("config")=default_config);

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@ -19,7 +19,7 @@ example_module = Pybind11Extension(
setup(
name='pycatima',
version=1.61,
version=1.7,
author='Andrej Prochazka',
author_email='hrocho@vodacionline.sk',
description='python interface to catima library',

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@ -236,13 +236,19 @@ namespace catima{
double sigma_a=0.0;
double sigma_r=0.0;
double sigma_x=0.0;
double cov = 0.0;
double cov = 0.0;
double tof=0.0;
#ifdef REACTIONS
double sp = 1.0;
#endif
};
struct Phasespace{
double sigma_x=0.0;
double sigma_a=0.0;
double cov_x=0.0;
};
/**
* structure to store results for calculation for multiple layers of materials, ie in catima::Layers
*/

6816
tests/doctest.h Normal file

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@ -573,4 +573,23 @@ using namespace std;
CHECK(0.1*hbar*c_light/atomic_mass_unit == approx(0.21183,0.0001));
CHECK(16.0*dedx_constant*electron_mass*fine_structure/(atomic_mass_unit*3.0*4.0*PI) == approx(5.21721169334564e-7).R(1e-3));
}
TEST_CASE("phasespace"){
using namespace catima;
catima::Projectile p{1,1,1,250};
catima::Material graphite;
graphite.add_element(12,6,1);
graphite.density(2.0);
graphite.thickness_cm(1.0);
Phasespace ps;
ps.sigma_a = 0.01;
Layers l;
l.add(graphite);
auto res = calculate(p, ps, l);
CHECK(res.total_result.sigma_a == approx(0.012,0.002));
CHECK(res.total_result.cov == approx(1.23e-4,1e-5));
}