xcoll 0.4.0__py3-none-any.whl → 0.5.1__py3-none-any.whl

xcoll/scattering_routines/geant4/collimasim/lib/pybind11/tests/test_numpy_dtypes.py

@@ -0,0 +1,441 @@
+# -*- coding: utf-8 -*-
+import re
+
+import pytest
+
+import env  # noqa: F401
+from pybind11_tests import numpy_dtypes as m
+
+np = pytest.importorskip("numpy")
+
+
+@pytest.fixture(scope="module")
+def simple_dtype():
+    ld = np.dtype("longdouble")
+    return np.dtype(
+        {
+            "names": ["bool_", "uint_", "float_", "ldbl_"],
+            "formats": ["?", "u4", "f4", "f{}".format(ld.itemsize)],
+            "offsets": [0, 4, 8, (16 if ld.alignment > 4 else 12)],
+        }
+    )
+
+
+@pytest.fixture(scope="module")
+def packed_dtype():
+    return np.dtype([("bool_", "?"), ("uint_", "u4"), ("float_", "f4"), ("ldbl_", "g")])
+
+
+def dt_fmt():
+    from sys import byteorder
+
+    e = "<" if byteorder == "little" else ">"
+    return (
+        "{{'names':['bool_','uint_','float_','ldbl_'],"
+        " 'formats':['?','" + e + "u4','" + e + "f4','" + e + "f{}'],"
+        " 'offsets':[0,4,8,{}], 'itemsize':{}}}"
+    )
+
+
+def simple_dtype_fmt():
+    ld = np.dtype("longdouble")
+    simple_ld_off = 12 + 4 * (ld.alignment > 4)
+    return dt_fmt().format(ld.itemsize, simple_ld_off, simple_ld_off + ld.itemsize)
+
+
+def packed_dtype_fmt():
+    from sys import byteorder
+
+    return "[('bool_', '?'), ('uint_', '{e}u4'), ('float_', '{e}f4'), ('ldbl_', '{e}f{}')]".format(
+        np.dtype("longdouble").itemsize, e="<" if byteorder == "little" else ">"
+    )
+
+
+def partial_ld_offset():
+    return (
+        12
+        + 4 * (np.dtype("uint64").alignment > 4)
+        + 8
+        + 8 * (np.dtype("longdouble").alignment > 8)
+    )
+
+
+def partial_dtype_fmt():
+    ld = np.dtype("longdouble")
+    partial_ld_off = partial_ld_offset()
+    partial_size = partial_ld_off + ld.itemsize
+    partial_end_padding = partial_size % np.dtype("uint64").alignment
+    return dt_fmt().format(
+        ld.itemsize, partial_ld_off, partial_size + partial_end_padding
+    )
+
+
+def partial_nested_fmt():
+    ld = np.dtype("longdouble")
+    partial_nested_off = 8 + 8 * (ld.alignment > 8)
+    partial_ld_off = partial_ld_offset()
+    partial_size = partial_ld_off + ld.itemsize
+    partial_end_padding = partial_size % np.dtype("uint64").alignment
+    partial_nested_size = partial_nested_off * 2 + partial_size + partial_end_padding
+    return "{{'names':['a'], 'formats':[{}], 'offsets':[{}], 'itemsize':{}}}".format(
+        partial_dtype_fmt(), partial_nested_off, partial_nested_size
+    )
+
+
+def assert_equal(actual, expected_data, expected_dtype):
+    np.testing.assert_equal(actual, np.array(expected_data, dtype=expected_dtype))
+
+
+def test_format_descriptors():
+    with pytest.raises(RuntimeError) as excinfo:
+        m.get_format_unbound()
+    assert re.match(
+        "^NumPy type info missing for .*UnboundStruct.*$", str(excinfo.value)
+    )
+
+    ld = np.dtype("longdouble")
+    ldbl_fmt = ("4x" if ld.alignment > 4 else "") + ld.char
+    ss_fmt = "^T{?:bool_:3xI:uint_:f:float_:" + ldbl_fmt + ":ldbl_:}"
+    dbl = np.dtype("double")
+    end_padding = ld.itemsize % np.dtype("uint64").alignment
+    partial_fmt = (
+        "^T{?:bool_:3xI:uint_:f:float_:"
+        + str(4 * (dbl.alignment > 4) + dbl.itemsize + 8 * (ld.alignment > 8))
+        + "xg:ldbl_:"
+        + (str(end_padding) + "x}" if end_padding > 0 else "}")
+    )
+    nested_extra = str(max(8, ld.alignment))
+    assert m.print_format_descriptors() == [
+        ss_fmt,
+        "^T{?:bool_:I:uint_:f:float_:g:ldbl_:}",
+        "^T{" + ss_fmt + ":a:^T{?:bool_:I:uint_:f:float_:g:ldbl_:}:b:}",
+        partial_fmt,
+        "^T{" + nested_extra + "x" + partial_fmt + ":a:" + nested_extra + "x}",
+        "^T{3s:a:3s:b:}",
+        "^T{(3)4s:a:(2)i:b:(3)B:c:1x(4, 2)f:d:}",
+        "^T{q:e1:B:e2:}",
+        "^T{Zf:cflt:Zd:cdbl:}",
+    ]
+
+
+def test_dtype(simple_dtype):
+    from sys import byteorder
+
+    e = "<" if byteorder == "little" else ">"
+
+    assert m.print_dtypes() == [
+        simple_dtype_fmt(),
+        packed_dtype_fmt(),
+        "[('a', {}), ('b', {})]".format(simple_dtype_fmt(), packed_dtype_fmt()),
+        partial_dtype_fmt(),
+        partial_nested_fmt(),
+        "[('a', 'S3'), ('b', 'S3')]",
+        (
+            "{{'names':['a','b','c','d'], "
+            + "'formats':[('S4', (3,)),('"
+            + e
+            + "i4', (2,)),('u1', (3,)),('"
+            + e
+            + "f4', (4, 2))], "
+            + "'offsets':[0,12,20,24], 'itemsize':56}}"
+        ).format(e=e),
+        "[('e1', '" + e + "i8'), ('e2', 'u1')]",
+        "[('x', 'i1'), ('y', '" + e + "u8')]",
+        "[('cflt', '" + e + "c8'), ('cdbl', '" + e + "c16')]",
+    ]
+
+    d1 = np.dtype(
+        {
+            "names": ["a", "b"],
+            "formats": ["int32", "float64"],
+            "offsets": [1, 10],
+            "itemsize": 20,
+        }
+    )
+    d2 = np.dtype([("a", "i4"), ("b", "f4")])
+    assert m.test_dtype_ctors() == [
+        np.dtype("int32"),
+        np.dtype("float64"),
+        np.dtype("bool"),
+        d1,
+        d1,
+        np.dtype("uint32"),
+        d2,
+    ]
+
+    assert m.test_dtype_methods() == [
+        np.dtype("int32"),
+        simple_dtype,
+        False,
+        True,
+        np.dtype("int32").itemsize,
+        simple_dtype.itemsize,
+    ]
+
+    assert m.trailing_padding_dtype() == m.buffer_to_dtype(
+        np.zeros(1, m.trailing_padding_dtype())
+    )
+
+    assert m.test_dtype_kind() == list("iiiiiuuuuuffffcccbMmO")
+    assert m.test_dtype_char_() == list("bhilqBHILQefdgFDG?MmO")
+
+
+def test_recarray(simple_dtype, packed_dtype):
+    elements = [(False, 0, 0.0, -0.0), (True, 1, 1.5, -2.5), (False, 2, 3.0, -5.0)]
+
+    for func, dtype in [
+        (m.create_rec_simple, simple_dtype),
+        (m.create_rec_packed, packed_dtype),
+    ]:
+        arr = func(0)
+        assert arr.dtype == dtype
+        assert_equal(arr, [], simple_dtype)
+        assert_equal(arr, [], packed_dtype)
+
+        arr = func(3)
+        assert arr.dtype == dtype
+        assert_equal(arr, elements, simple_dtype)
+        assert_equal(arr, elements, packed_dtype)
+
+        # Show what recarray's look like in NumPy.
+        assert type(arr[0]) == np.void
+        assert type(arr[0].item()) == tuple
+
+        if dtype == simple_dtype:
+            assert m.print_rec_simple(arr) == [
+                "s:0,0,0,-0",
+                "s:1,1,1.5,-2.5",
+                "s:0,2,3,-5",
+            ]
+        else:
+            assert m.print_rec_packed(arr) == [
+                "p:0,0,0,-0",
+                "p:1,1,1.5,-2.5",
+                "p:0,2,3,-5",
+            ]
+
+    nested_dtype = np.dtype([("a", simple_dtype), ("b", packed_dtype)])
+
+    arr = m.create_rec_nested(0)
+    assert arr.dtype == nested_dtype
+    assert_equal(arr, [], nested_dtype)
+
+    arr = m.create_rec_nested(3)
+    assert arr.dtype == nested_dtype
+    assert_equal(
+        arr,
+        [
+            ((False, 0, 0.0, -0.0), (True, 1, 1.5, -2.5)),
+            ((True, 1, 1.5, -2.5), (False, 2, 3.0, -5.0)),
+            ((False, 2, 3.0, -5.0), (True, 3, 4.5, -7.5)),
+        ],
+        nested_dtype,
+    )
+    assert m.print_rec_nested(arr) == [
+        "n:a=s:0,0,0,-0;b=p:1,1,1.5,-2.5",
+        "n:a=s:1,1,1.5,-2.5;b=p:0,2,3,-5",
+        "n:a=s:0,2,3,-5;b=p:1,3,4.5,-7.5",
+    ]
+
+    arr = m.create_rec_partial(3)
+    assert str(arr.dtype) == partial_dtype_fmt()
+    partial_dtype = arr.dtype
+    assert "" not in arr.dtype.fields
+    assert partial_dtype.itemsize > simple_dtype.itemsize
+    assert_equal(arr, elements, simple_dtype)
+    assert_equal(arr, elements, packed_dtype)
+
+    arr = m.create_rec_partial_nested(3)
+    assert str(arr.dtype) == partial_nested_fmt()
+    assert "" not in arr.dtype.fields
+    assert "" not in arr.dtype.fields["a"][0].fields
+    assert arr.dtype.itemsize > partial_dtype.itemsize
+    np.testing.assert_equal(arr["a"], m.create_rec_partial(3))
+
+
+def test_array_constructors():
+    data = np.arange(1, 7, dtype="int32")
+    for i in range(8):
+        np.testing.assert_array_equal(m.test_array_ctors(10 + i), data.reshape((3, 2)))
+        np.testing.assert_array_equal(m.test_array_ctors(20 + i), data.reshape((3, 2)))
+    for i in range(5):
+        np.testing.assert_array_equal(m.test_array_ctors(30 + i), data)
+        np.testing.assert_array_equal(m.test_array_ctors(40 + i), data)
+
+
+def test_string_array():
+    arr = m.create_string_array(True)
+    assert str(arr.dtype) == "[('a', 'S3'), ('b', 'S3')]"
+    assert m.print_string_array(arr) == [
+        "a='',b=''",
+        "a='a',b='a'",
+        "a='ab',b='ab'",
+        "a='abc',b='abc'",
+    ]
+    dtype = arr.dtype
+    assert arr["a"].tolist() == [b"", b"a", b"ab", b"abc"]
+    assert arr["b"].tolist() == [b"", b"a", b"ab", b"abc"]
+    arr = m.create_string_array(False)
+    assert dtype == arr.dtype
+
+
+def test_array_array():
+    from sys import byteorder
+
+    e = "<" if byteorder == "little" else ">"
+
+    arr = m.create_array_array(3)
+    assert str(arr.dtype) == (
+        "{{'names':['a','b','c','d'], "
+        + "'formats':[('S4', (3,)),('"
+        + e
+        + "i4', (2,)),('u1', (3,)),('{e}f4', (4, 2))], "
+        + "'offsets':[0,12,20,24], 'itemsize':56}}"
+    ).format(e=e)
+    assert m.print_array_array(arr) == [
+        "a={{A,B,C,D},{K,L,M,N},{U,V,W,X}},b={0,1},"
+        + "c={0,1,2},d={{0,1},{10,11},{20,21},{30,31}}",
+        "a={{W,X,Y,Z},{G,H,I,J},{Q,R,S,T}},b={1000,1001},"
+        + "c={10,11,12},d={{100,101},{110,111},{120,121},{130,131}}",
+        "a={{S,T,U,V},{C,D,E,F},{M,N,O,P}},b={2000,2001},"
+        + "c={20,21,22},d={{200,201},{210,211},{220,221},{230,231}}",
+    ]
+    assert arr["a"].tolist() == [
+        [b"ABCD", b"KLMN", b"UVWX"],
+        [b"WXYZ", b"GHIJ", b"QRST"],
+        [b"STUV", b"CDEF", b"MNOP"],
+    ]
+    assert arr["b"].tolist() == [[0, 1], [1000, 1001], [2000, 2001]]
+    assert m.create_array_array(0).dtype == arr.dtype
+
+
+def test_enum_array():
+    from sys import byteorder
+
+    e = "<" if byteorder == "little" else ">"
+
+    arr = m.create_enum_array(3)
+    dtype = arr.dtype
+    assert dtype == np.dtype([("e1", e + "i8"), ("e2", "u1")])
+    assert m.print_enum_array(arr) == ["e1=A,e2=X", "e1=B,e2=Y", "e1=A,e2=X"]
+    assert arr["e1"].tolist() == [-1, 1, -1]
+    assert arr["e2"].tolist() == [1, 2, 1]
+    assert m.create_enum_array(0).dtype == dtype
+
+
+def test_complex_array():
+    from sys import byteorder
+
+    e = "<" if byteorder == "little" else ">"
+
+    arr = m.create_complex_array(3)
+    dtype = arr.dtype
+    assert dtype == np.dtype([("cflt", e + "c8"), ("cdbl", e + "c16")])
+    assert m.print_complex_array(arr) == [
+        "c:(0,0.25),(0.5,0.75)",
+        "c:(1,1.25),(1.5,1.75)",
+        "c:(2,2.25),(2.5,2.75)",
+    ]
+    assert arr["cflt"].tolist() == [0.0 + 0.25j, 1.0 + 1.25j, 2.0 + 2.25j]
+    assert arr["cdbl"].tolist() == [0.5 + 0.75j, 1.5 + 1.75j, 2.5 + 2.75j]
+    assert m.create_complex_array(0).dtype == dtype
+
+
+def test_signature(doc):
+    assert (
+        doc(m.create_rec_nested)
+        == "create_rec_nested(arg0: int) -> numpy.ndarray[NestedStruct]"
+    )
+
+
+def test_scalar_conversion():
+    n = 3
+    arrays = [
+        m.create_rec_simple(n),
+        m.create_rec_packed(n),
+        m.create_rec_nested(n),
+        m.create_enum_array(n),
+    ]
+    funcs = [m.f_simple, m.f_packed, m.f_nested]
+
+    for i, func in enumerate(funcs):
+        for j, arr in enumerate(arrays):
+            if i == j and i < 2:
+                assert [func(arr[k]) for k in range(n)] == [k * 10 for k in range(n)]
+            else:
+                with pytest.raises(TypeError) as excinfo:
+                    func(arr[0])
+                assert "incompatible function arguments" in str(excinfo.value)
+
+
+def test_vectorize():
+    n = 3
+    array = m.create_rec_simple(n)
+    values = m.f_simple_vectorized(array)
+    np.testing.assert_array_equal(values, [0, 10, 20])
+    array_2 = m.f_simple_pass_thru_vectorized(array)
+    np.testing.assert_array_equal(array, array_2)
+
+
+def test_cls_and_dtype_conversion(simple_dtype):
+    s = m.SimpleStruct()
+    assert s.astuple() == (False, 0, 0.0, 0.0)
+    assert m.SimpleStruct.fromtuple(s.astuple()).astuple() == s.astuple()
+
+    s.uint_ = 2
+    assert m.f_simple(s) == 20
+
+    # Try as recarray of shape==(1,).
+    s_recarray = np.array([(False, 2, 0.0, 0.0)], dtype=simple_dtype)
+    # Show that this will work for vectorized case.
+    np.testing.assert_array_equal(m.f_simple_vectorized(s_recarray), [20])
+
+    # Show as a scalar that inherits from np.generic.
+    s_scalar = s_recarray[0]
+    assert isinstance(s_scalar, np.void)
+    assert m.f_simple(s_scalar) == 20
+
+    # Show that an *array* scalar (np.ndarray.shape == ()) does not convert.
+    # More specifically, conversion to SimpleStruct is not implicit.
+    s_recarray_scalar = s_recarray.reshape(())
+    assert isinstance(s_recarray_scalar, np.ndarray)
+    assert s_recarray_scalar.dtype == simple_dtype
+    with pytest.raises(TypeError) as excinfo:
+        m.f_simple(s_recarray_scalar)
+    assert "incompatible function arguments" in str(excinfo.value)
+    # Explicitly convert to m.SimpleStruct.
+    assert m.f_simple(m.SimpleStruct.fromtuple(s_recarray_scalar.item())) == 20
+
+    # Show that an array of dtype=object does *not* convert.
+    s_array_object = np.array([s])
+    assert s_array_object.dtype == object
+    with pytest.raises(TypeError) as excinfo:
+        m.f_simple_vectorized(s_array_object)
+    assert "incompatible function arguments" in str(excinfo.value)
+    # Explicitly convert to `np.array(..., dtype=simple_dtype)`
+    s_array = np.array([s.astuple()], dtype=simple_dtype)
+    np.testing.assert_array_equal(m.f_simple_vectorized(s_array), [20])
+
+
+def test_register_dtype():
+    with pytest.raises(RuntimeError) as excinfo:
+        m.register_dtype()
+    assert "dtype is already registered" in str(excinfo.value)
+
+
+@pytest.mark.xfail("env.PYPY")
+def test_str_leak():
+    from sys import getrefcount
+
+    fmt = "f4"
+    pytest.gc_collect()
+    start = getrefcount(fmt)
+    d = m.dtype_wrapper(fmt)
+    assert d is np.dtype("f4")
+    del d
+    pytest.gc_collect()
+    assert getrefcount(fmt) == start
+
+
+def test_compare_buffer_info():
+    assert all(m.compare_buffer_info())

xcoll/scattering_routines/geant4/collimasim/lib/pybind11/tests/test_numpy_vectorize.cpp

@@ -0,0 +1,103 @@
+/*
+    tests/test_numpy_vectorize.cpp -- auto-vectorize functions over NumPy array
+    arguments
+
+    Copyright (c) 2016 Wenzel Jakob <wenzel.jakob@epfl.ch>
+
+    All rights reserved. Use of this source code is governed by a
+    BSD-style license that can be found in the LICENSE file.
+*/
+
+#include "pybind11_tests.h"
+#include <pybind11/numpy.h>
+
+#include <utility>
+
+double my_func(int x, float y, double z) {
+    py::print("my_func(x:int={}, y:float={:.0f}, z:float={:.0f})"_s.format(x, y, z));
+    return (float) x*y*z;
+}
+
+TEST_SUBMODULE(numpy_vectorize, m) {
+    try { py::module_::import("numpy"); }
+    catch (...) { return; }
+
+    // test_vectorize, test_docs, test_array_collapse
+    // Vectorize all arguments of a function (though non-vector arguments are also allowed)
+    m.def("vectorized_func", py::vectorize(my_func));
+
+    // Vectorize a lambda function with a capture object (e.g. to exclude some arguments from the vectorization)
+    m.def("vectorized_func2", [](py::array_t<int> x, py::array_t<float> y, float z) {
+        return py::vectorize([z](int x, float y) { return my_func(x, y, z); })(std::move(x),
+                                                                               std::move(y));
+    });
+
+    // Vectorize a complex-valued function
+    m.def("vectorized_func3", py::vectorize(
+        [](std::complex<double> c) { return c * std::complex<double>(2.f); }
+    ));
+
+    // test_type_selection
+    // NumPy function which only accepts specific data types
+    // A lot of these no lints could be replaced with const refs, and probably should at some point.
+    m.def("selective_func",
+          [](const py::array_t<int, py::array::c_style> &) { return "Int branch taken."; });
+    m.def("selective_func",
+          [](const py::array_t<float, py::array::c_style> &) { return "Float branch taken."; });
+    m.def("selective_func", [](const py::array_t<std::complex<float>, py::array::c_style> &) {
+        return "Complex float branch taken.";
+    });
+
+    // test_passthrough_arguments
+    // Passthrough test: references and non-pod types should be automatically passed through (in the
+    // function definition below, only `b`, `d`, and `g` are vectorized):
+    struct NonPODClass {
+        explicit NonPODClass(int v) : value{v} {}
+        int value;
+    };
+    py::class_<NonPODClass>(m, "NonPODClass")
+        .def(py::init<int>())
+        .def_readwrite("value", &NonPODClass::value);
+    m.def("vec_passthrough",
+          py::vectorize([](const double *a,
+                           double b,
+                           // Changing this broke things
+                           // NOLINTNEXTLINE(performance-unnecessary-value-param)
+                           py::array_t<double> c,
+                           const int &d,
+                           int &e,
+                           NonPODClass f,
+                           const double g) { return *a + b + c.at(0) + d + e + f.value + g; }));
+
+    // test_method_vectorization
+    struct VectorizeTestClass {
+        explicit VectorizeTestClass(int v) : value{v} {};
+        float method(int x, float y) const { return y + (float) (x + value); }
+        int value = 0;
+    };
+    py::class_<VectorizeTestClass> vtc(m, "VectorizeTestClass");
+    vtc .def(py::init<int>())
+        .def_readwrite("value", &VectorizeTestClass::value);
+
+    // Automatic vectorizing of methods
+    vtc.def("method", py::vectorize(&VectorizeTestClass::method));
+
+    // test_trivial_broadcasting
+    // Internal optimization test for whether the input is trivially broadcastable:
+    py::enum_<py::detail::broadcast_trivial>(m, "trivial")
+        .value("f_trivial", py::detail::broadcast_trivial::f_trivial)
+        .value("c_trivial", py::detail::broadcast_trivial::c_trivial)
+        .value("non_trivial", py::detail::broadcast_trivial::non_trivial);
+    m.def("vectorized_is_trivial",
+          [](const py::array_t<int, py::array::forcecast> &arg1,
+             const py::array_t<float, py::array::forcecast> &arg2,
+             const py::array_t<double, py::array::forcecast> &arg3) {
+              py::ssize_t ndim = 0;
+              std::vector<py::ssize_t> shape;
+              std::array<py::buffer_info, 3> buffers{
+                  {arg1.request(), arg2.request(), arg3.request()}};
+              return py::detail::broadcast(buffers, ndim, shape);
+          });
+
+    m.def("add_to", py::vectorize([](NonPODClass& x, int a) { x.value += a; }));
+}