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Precommit: Prettify python directory #8177

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149 changes: 66 additions & 83 deletions python/pyabacus/src/ModuleBase/py_base_math.cpp
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Original file line number Diff line number Diff line change
@@ -1,11 +1,10 @@
#include <pybind11/numpy.h>
#include <pybind11/pybind11.h>

#include "source_base/math_sphbes.h"
#include "../utils/pybind_utils.h"
#include "source_base/math_integral.h"
#include "source_base/math_sphbes.h"
#include "source_base/sph_bessel_tf.h"

#include "../utils/pybind_utils.h"
#include <pybind11/numpy.h>
#include <pybind11/pybind11.h>

namespace py = pybind11;
using namespace pybind11::literals;
Expand All @@ -25,21 +24,13 @@ void bind_base_math(py::module& m)
[](const int n, py::array_t<double> r, const double q, const int l, py::array_t<double> jl) {
check_1d_array(r, "r");
check_1d_array(jl, "jl");
ModuleBase::Sphbes::sphbesj(n,
get_array_ptr(r),
q,
l,
get_array_ptr(jl));
ModuleBase::Sphbes::sphbesj(n, get_array_ptr(r), q, l, get_array_ptr(jl));
})
.def_static("dsphbesj",
[](const int n, py::array_t<double> r, const double q, const int l, py::array_t<double> djl) {
check_1d_array(r, "r");
check_1d_array(djl, "djl");
ModuleBase::Sphbes::dsphbesj(n,
get_array_ptr(r),
q,
l,
get_array_ptr(djl));
ModuleBase::Sphbes::dsphbesj(n, get_array_ptr(r), q, l, get_array_ptr(djl));
})
.def_static("sphbes_zeros", [](const int l, const int n, py::array_t<double> zeros) {
check_1d_array(zeros, "zeros");
Expand All @@ -49,76 +40,68 @@ void bind_base_math(py::module& m)
// python binding for class Integral
py::class_<ModuleBase::Integral>(m, "Integral")
.def(py::init<>())
.def_static("Simpson_Integral", [](const int mesh, py::array_t<double> func, py::array_t<double> rab, double asum) {
check_1d_array(func, "func");
check_1d_array(rab, "rab");
.def_static("Simpson_Integral",
[](const int mesh, py::array_t<double> func, py::array_t<double> rab, double asum) {
check_1d_array(func, "func");
check_1d_array(rab, "rab");

double isum = asum;
ModuleBase::Integral::Simpson_Integral(mesh,
get_array_ptr(func),
get_array_ptr(rab),
isum);
return isum;
})
.def_static("Simpson_Integral", [](const int mesh, py::array_t<double> func, const double dr, double asum){
check_1d_array(func, "func");
double isum = asum;
ModuleBase::Integral::Simpson_Integral(mesh, get_array_ptr(func), get_array_ptr(rab), isum);
return isum;
})
.def_static("Simpson_Integral",
[](const int mesh, py::array_t<double> func, const double dr, double asum) {
check_1d_array(func, "func");

double isum = asum;
ModuleBase::Integral::Simpson_Integral(mesh,
get_array_ptr(func),
dr,
isum);
return isum;
})
.def_static("Simpson_Integral_0toall", [](const int mesh, py::array_t<double> func, py::array_t<double> rab, py::array_t<double> asum){
check_1d_array(func, "func");
check_1d_array(rab, "rab");
check_1d_array(asum, "asum");
ModuleBase::Integral::Simpson_Integral_0toall(mesh,
get_array_ptr(func),
get_array_ptr(rab),
get_array_ptr(asum));
})
.def_static("Simpson_Integral_alltoinf", [](const int mesh, py::array_t<double> func, py::array_t<double> rab, py::array_t<double> asum){
check_1d_array(func, "func");
check_1d_array(rab, "rab");
check_1d_array(asum, "asum");
ModuleBase::Integral::Simpson_Integral_alltoinf(mesh,
get_array_ptr(func),
get_array_ptr(rab),
get_array_ptr(asum));
})
.def_static("simpson", [](const int n, py::array_t<double> f, const double dx){
check_1d_array(f, "f");
return ModuleBase::Integral::simpson(n,
get_array_ptr(f),
dx);
})
.def_static("simpson", [](const int n, py::array_t<double> f, py::array_t<double> h){
check_1d_array(f, "f");
check_1d_array(h, "h");
return ModuleBase::Integral::simpson(n,
get_array_ptr(f),
get_array_ptr(h));
})
.def_static("Gauss_Legendre_grid_and_weight", [](const int n, py::array_t<double> x, py::array_t<double> w){
check_1d_array(x, "x");
check_1d_array(w, "w");
ModuleBase::Integral::Gauss_Legendre_grid_and_weight(n,
get_array_ptr(x),
get_array_ptr(w));
})
.def_static("Gauss_Legendre_grid_and_weight", [](const double xmin, const double xmax, const int n, py::array_t<double> x, py::array_t<double> w){
check_1d_array(x, "x");
check_1d_array(w, "w");
ModuleBase::Integral::Gauss_Legendre_grid_and_weight(xmin,
xmax,
n,
get_array_ptr(x),
get_array_ptr(w));
});
py::class_<ModuleBase::SphericalBesselTransformer>(m, "SphericalBesselTransformer")
.def(py::init<>());
double isum = asum;
ModuleBase::Integral::Simpson_Integral(mesh, get_array_ptr(func), dr, isum);
return isum;
})
.def_static("Simpson_Integral_0toall",
[](const int mesh, py::array_t<double> func, py::array_t<double> rab, py::array_t<double> asum) {
check_1d_array(func, "func");
check_1d_array(rab, "rab");
check_1d_array(asum, "asum");
ModuleBase::Integral::Simpson_Integral_0toall(mesh,
get_array_ptr(func),
get_array_ptr(rab),
get_array_ptr(asum));
})
.def_static("Simpson_Integral_alltoinf",
[](const int mesh, py::array_t<double> func, py::array_t<double> rab, py::array_t<double> asum) {
check_1d_array(func, "func");
check_1d_array(rab, "rab");
check_1d_array(asum, "asum");
ModuleBase::Integral::Simpson_Integral_alltoinf(mesh,
get_array_ptr(func),
get_array_ptr(rab),
get_array_ptr(asum));
})
.def_static("simpson",
[](const int n, py::array_t<double> f, const double dx) {
check_1d_array(f, "f");
return ModuleBase::Integral::simpson(n, get_array_ptr(f), dx);
})
.def_static("simpson",
[](const int n, py::array_t<double> f, py::array_t<double> h) {
check_1d_array(f, "f");
check_1d_array(h, "h");
return ModuleBase::Integral::simpson(n, get_array_ptr(f), get_array_ptr(h));
})
.def_static("Gauss_Legendre_grid_and_weight",
[](const int n, py::array_t<double> x, py::array_t<double> w) {
check_1d_array(x, "x");
check_1d_array(w, "w");
ModuleBase::Integral::Gauss_Legendre_grid_and_weight(n, get_array_ptr(x), get_array_ptr(w));
})
.def_static(
"Gauss_Legendre_grid_and_weight",
[](const double xmin, const double xmax, const int n, py::array_t<double> x, py::array_t<double> w) {
check_1d_array(x, "x");
check_1d_array(w, "w");
ModuleBase::Integral::Gauss_Legendre_grid_and_weight(xmin, xmax, n, get_array_ptr(x), get_array_ptr(w));
});
py::class_<ModuleBase::SphericalBesselTransformer>(m, "SphericalBesselTransformer").def(py::init<>());
}

PYBIND11_MODULE(_base_pack, m)
Expand Down
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