#include #include #include #include #include #include "catima/catima.h" #include "catima/srim.h" #include "catima/nucdata.h" #include #include namespace py = pybind11; using namespace catima; void catima_info(){ printf("CATIMA version = 1.5\n"); printf("number of energy points = %d\n",max_datapoints); printf("min energy point = 10^%lf MeV/u\n",logEmin); printf("max energy point = 10^%lf MeV/u\n",logEmax); } std::string material_to_string(const Material &r){ std::string s; auto n = r.ncomponents(); for(int i = 0; i < n; i++){ auto el = r.get_element(i); s += "#"+std::to_string(i); s += ": A = "+std::to_string(el.A) + ", Z = "+std::to_string(el.Z)+ ", stn = "+std::to_string(el.stn)+"\n"; } return s; }; py::list storage_info(){ py::list res; for(int i=0; i0 && data.p.Z && data.m.ncomponents()>0){ py::list mat; py::dict d; py::list p; p.append(data.p.A); p.append(data.p.Z); d["projectile"] = p; d["matter"] = material_to_string(data.m); d["config"] = py::cast(data.config); res.append(d); } } return res; } py::list get_energy_table(){ py::list r; for(auto e : energy_table){ r.append(e); } return r; } py::list get_data(Projectile& p, const Material &m, const Config& c=default_config){ py::list r; auto& data = _storage.Get(p, m, c); py::list ran; py::list rans; py::list av; for(double e:data.range){ran.append(e);} for(double e:data.range_straggling)rans.append(e); for(double e:data.angular_variance)av.append(e); r.append(ran); r.append(rans); r.append(av); return r; } Material py_make_material(py::list d, double density=0.0, double thickness=0.0, double ipot=0.0, double mass=0.0){ Material m; if(density>0.0)m.density(density); if(ipot>0.0)m.I(ipot); if(mass>0.0)m.M(mass); if(thickness>0.0)m.thickness(thickness); for(int i=0;i(); int z = e[1].cast(); double stn = e[2].cast(); m.add_element(a,z,stn); } return m; } py::dict get_result_dict(const Result& r){ py::dict d; d["Ein"] = r.Ein; d["Eout"] = r.Eout; d["Eloss"] = r.Eloss; d["range"] = r.range; d["dEdxi"] = r.dEdxi; d["dEdxo"] = r.dEdxo; d["sigma_E"] = r.sigma_E; d["sigma_r"] = r.sigma_r; d["sigma_a"] = r.sigma_a; d["tof"] = r.tof; d["sp"] = r.sp; return d; } PYBIND11_MODULE(pycatima,m){ py::class_(m,"Projectile") .def(py::init<>(),"constructor") .def(py::init(), "constructor", py::arg("A"),py::arg("Z"),py::arg("Q")=0, py::arg("T")=0) .def("__call__",&Projectile::operator()) .def("A",[](const Projectile& p){return p.A;}) .def("Z",[](const Projectile& p){return p.Z;}) .def("Q",[](const Projectile& p){return p.Q;}) .def("T",[](const Projectile& p){return p.T;}) .def("T",[](Projectile& p, double v){p.T = v;}); //.def_readwrite("A", &Projectile::A) //.def_readwrite("Z", &Projectile::Z) //.def_readwrite("T", &Projectile::T) //.def_readwrite("Q", &Projectile::Q); py::class_(m,"Target") .def(py::init<>(),"constructor") .def_readwrite("A",&Target::A) .def_readwrite("Z",&Target::Z) .def_readwrite("stn",&Target::stn); py::class_(m,"Material") .def(py::init<>(),"constructor") .def(py::init(),"constructor") .def(py::init(),"constructor", py::arg("A"),py::arg("Z"),py::arg("density")=0.0,py::arg("thickness")=0.0,py::arg("i_potential")=0.0) .def(py::init(&py_make_material),"constructor", py::arg("elements"),py::arg("density")=0.0,py::arg("thickness")=0.0,py::arg("i_potential")=0.0, py::arg("mass")=0.0) .def("add_element",&Material::add_element) .def("ncomponents",&Material::ncomponents) .def("density",py::overload_cast<>(&Material::density, py::const_), "get density") .def("density",py::overload_cast(&Material::density), "set density") .def("molar_mass",py::overload_cast<>(&Material::M, py::const_), "get mass") .def("thickness",py::overload_cast<>(&Material::thickness, py::const_), "get thickness") .def("thickness",py::overload_cast(&Material::thickness), "set thickness") .def("thickness_cm",&Material::thickness_cm,"set thickness in cm unit") .def("I",py::overload_cast<>(&Material::I, py::const_), "get I") .def("I",py::overload_cast(&Material::I), "set I") .def("__str__",&material_to_string); py::class_(m,"Layers") .def(py::init<>(),"constructor") .def("add",&Layers::add) .def("num",&Layers::num) // .def("__getitem__",&Layers::operator[], py::is_operator()) .def("__getitem__",[](Layers &r, int i)->Material* { if(i>=r.num()){ throw std::invalid_argument("index out of range");} return &r[i]; }, py::is_operator(),py::return_value_policy::automatic_reference) .def("get",&Layers::operator[]) .def(py::self + py::self) .def("__add__",[](const Layers s, const Material& m){return s+m;}); py::class_(m,"Result") .def(py::init<>(),"constructor") .def_readwrite("Ein", &Result::Ein) .def_readwrite("Eout", &Result::Eout) .def_readwrite("Eloss", &Result::Eloss) .def_readwrite("range", &Result::range) .def_readwrite("dEdxi", &Result::dEdxi) .def_readwrite("dEdxo", &Result::dEdxo) .def_readwrite("sigma_E", &Result::sigma_E) .def_readwrite("sigma_a", &Result::sigma_a) .def_readwrite("sigma_r", &Result::sigma_r) .def_readwrite("tof", &Result::tof) .def_readwrite("sp", &Result::sp) .def("get_dict",&get_result_dict); py::class_(m,"MultiResult") .def(py::init<>(),"constructor") .def_readwrite("total_result", &MultiResult::total_result) .def_readwrite("results", &MultiResult::results) // .def_readwrite("Eout",&MultiResult::total_result.Eout) .def("__getitem__",[](MultiResult &r, int i){ return py::cast(r.results[i]); },py::is_operator()) .def("__getattr__",[](MultiResult &r, std::string& k){ if(k.compare("Eout")==0){ return py::cast(r.total_result.Eout); } else if(k.compare("sigma_a")==0){ return py::cast(r.total_result.sigma_a); } else if(k.compare("tof")==0){ return py::cast(r.total_result.tof); } else if(k.compare("Eloss")==0){ return py::cast(r.total_result.Eloss); } else{ return py::cast(NULL); } },py::is_operator()) .def("get_dict",[](const MultiResult &r){ py::dict d; py::list p; d["result"] = get_result_dict(r.total_result); for(auto& entry:r.results){ p.append(get_result_dict(entry)); } d["partial"] = p; return d; }); py::enum_(m,"z_eff_type") .value("none", z_eff_type::none) .value("pierce_blann", z_eff_type::pierce_blann) .value("anthony_landorf", z_eff_type::anthony_landorf) .value("hubert", z_eff_type::hubert) .value("winger", z_eff_type::winger) .value("schiwietz", z_eff_type::schiwietz) .value("cglobal", z_eff_type::global) .value("atima14", z_eff_type::atima14); py::enum_(m,"corrections") .value("no_barkas", corrections::no_barkas) .value("no_lindhard", corrections::no_lindhard) .value("no_shell_correction", corrections::no_shell_correction) .value("no_highenergy", corrections::no_highenergy); py::enum_(m,"omega_types") .value("atima", omega_types::atima) .value("bohr", omega_types::bohr); py::enum_(m,"low_energy_types") .value("srim_85", low_energy_types::srim_85) .value("srim_95", low_energy_types::srim_95); py::enum_(m,"material") .value("Plastics", material::Plastics) .value("Air", material::Air) .value("CH2", material::CH2) .value("lH2", material::lH2) .value("lD2", material::lD2) .value("Water", material::Water) .value("Diamond", material::Diamond) .value("Glass", material::Glass) .value("ALMG3", material::ALMG3) .value("ArCO2_30", material::ArCO2_30) .value("CF4", material::CF4) .value("Isobutane", material::Isobutane) .value("Kapton", material::Kapton) .value("Mylar", material::Mylar) .value("NaF", material::NaF) .value("P10", material::P10) .value("Polyolefin", material::Polyolefin) .value("CmO2", material::CmO2) .value("Suprasil", material::Suprasil) .value("HAVAR", material::HAVAR) .value("Steel", material::Steel) .value("CO2", material::CO2); py::class_(m,"Config") .def(py::init<>(),"constructor") .def_readwrite("z_effective", &Config::z_effective) .def_readwrite("corrections", &Config::corrections) .def_readwrite("calculation", &Config::calculation) .def("get",[](const Config &r){ py::dict d; d["z_effective"] = r.z_effective; d["corrections"] = r.corrections; d["calculation"] = r.calculation; return d; }) .def("__str__",[](const Config &r){ std::string s; s = "z_effective = "+std::to_string(r.z_effective); s += ", corrections = "+std::to_string(r.corrections); s += ", calculation = "+std::to_string(r.calculation); return s; }); m.def("srim_dedx_e",&srim_dedx_e); 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(&calculate),"calculate",py::arg("projectile"), py::arg("material"), py::arg("config")=default_config); m.def("calculate_layers",py::overload_cast(&calculate),"calculate_layers",py::arg("projectile"), py::arg("material"), py::arg("config")=default_config); m.def("dedx_from_range",py::overload_cast(&dedx_from_range),"calculate",py::arg("projectile") ,py::arg("material"), py::arg("config")=default_config); m.def("dedx_from_range",py::overload_cast&, const Material&, const Config&>(&dedx_from_range),"calculate",py::arg("projectile"), py::arg("energy") ,py::arg("material"), py::arg("config")=default_config); m.def("dedx",py::overload_cast(&dedx), "dedx",py::arg("projectile"), py::arg("material"), py::arg("config")=default_config); m.def("range",py::overload_cast(&range), "range",py::arg("projectile"), py::arg("material"), py::arg("config")=default_config); m.def("energy_out",py::overload_cast&, const Material&, const Config&>(&energy_out),"energy_out",py::arg("projectile"), py::arg("energy") ,py::arg("material"), py::arg("config")=default_config); m.def("energy_out",py::overload_cast(&energy_out),"energy_out",py::arg("projectile"), py::arg("material"), py::arg("config")=default_config); m.def("get_material",py::overload_cast(&get_material)); m.def("get_data",py::overload_cast(get_data),"list of data",py::arg("projectile"),py::arg("material"),py::arg("config")=default_config); m.def("w_magnification",[](Projectile& p, double energy, const Material& m, const Config& c){ py::list l; auto r = w_magnification(p, energy, m, c); l.append(r.first); l.append(r.second); return l; }); m.def("catima_info",&catima_info); m.def("storage_info",&storage_info); m.def("get_energy_table",&get_energy_table); m.def("energy_table",[](int i){return energy_table(i);}); m.def("z_effective",&z_effective); m.attr("max_datapoints") = max_datapoints; m.attr("max_storage_data") = max_storage_data; m.attr("logEmin")=logEmin; m.attr("logEmax")=logEmax; }