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https://github.com/triqs/dft_tools
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gf_block converter
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4789dccda6
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5c8270c437
@ -71,8 +71,6 @@ template<> struct py_converter<${c.c_type_absolute}> {
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%for en in module.enums :
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%for en in module.enums :
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namespace triqs { namespace py_tools {
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template <> struct py_converter<${en.c_name_absolute}> {
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template <> struct py_converter<${en.c_name_absolute}> {
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static PyObject * c2py(${en.c_name_absolute} x) {
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static PyObject * c2py(${en.c_name_absolute} x) {
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%for n,val in enumerate(en.values[:-1]) :
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%for n,val in enumerate(en.values[:-1]) :
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@ -104,7 +102,6 @@ template <> struct py_converter<${en.c_name_absolute}> {
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}
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}
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};
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};
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}}
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%endfor
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%endfor
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}}
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}}
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@ -10,6 +10,7 @@ install (FILES ${PYTHON_SOURCES} DESTINATION ${TRIQS_PYTHON_LIB_DEST}/wrap_test)
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# Build C extension module
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# Build C extension module
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triqs_python_extension(my_module wrap_test)
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triqs_python_extension(my_module wrap_test)
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triqs_python_extension(my_moduleB wrap_test)
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triqs_python_extension(my_moduleB wrap_test)
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triqs_python_extension(test_g wrap_test)
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# ??triqs_set_rpath_for_target(my_module)
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# ??triqs_set_rpath_for_target(my_module)
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include_directories( ${CMAKE_CURRENT_SOURCE_DIR} )
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include_directories( ${CMAKE_CURRENT_SOURCE_DIR} )
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26
pytriqs/wrap_test/g.hpp
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26
pytriqs/wrap_test/g.hpp
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@ -0,0 +1,26 @@
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#include <triqs/gfs.hpp>
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using namespace triqs::gfs;
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using namespace triqs;
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block_gf_view<imfreq> make_bgf(double a) {
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double beta = 1;
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auto G1 = gf<imfreq>({beta, Fermion}, {2, 2});
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auto B1 = make_block_gf<imfreq>(3, G1);
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{
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H5::H5File file("ess_test_g1.h5", H5F_ACC_TRUNC);
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h5_write(file, "g", B1);
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}
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return B1;
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}
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void pass_bgf(block_gf_view<imfreq> g) {
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{
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H5::H5File file("ess_test_g2.h5", H5F_ACC_TRUNC);
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h5_write(file, "g", g);
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}
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}
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14
pytriqs/wrap_test/test_g_desc.py
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14
pytriqs/wrap_test/test_g_desc.py
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@ -0,0 +1,14 @@
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from wrap_generator import *
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# The module
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module = module_(full_name = "pytriqs.wrap_test.test_g", doc = " Doc of my_module ")
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module.add_include("<triqs/../pytriqs/wrap_test/g.hpp>")
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module.add_include("<pytriqs/converters/gf.hpp>")
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module.add_function (name = "make_bgf", signature = "block_gf_view<imfreq> (double a)", doc = "DOC of print_a")
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module.add_function (name = "pass_bgf", signature = "void (block_gf_view<imfreq> g) ", doc = "DOC of print_a")
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if __name__ == '__main__' :
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module.generate_code(mako_template = sys.argv[1], wrap_file = sys.argv[2])
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module.generate_py_converter_header(mako_template = sys.argv[3], wrap_file = sys.argv[4])
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@ -157,9 +157,10 @@ namespace gfs {
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return {{int(V.size())}, std::move(V), nothing{}, nothing{}, nothing{}};
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return {{int(V.size())}, std::move(V), nothing{}, nothing{}, nothing{}};
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}
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}
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// for cython proxy only. do not document.
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template <typename GF>
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template <typename GF, typename GF2> gf_view<block_index, GF> make_block_gf_view_from_vector_of_cython_proxy(std::vector<GF2> V) {
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gf_view<block_index, typename GF::regular_type> make_block_gf_view_from_vector(std::vector<std::string> block_names,
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return {{int(V.size())}, std::move(V), nothing{}, nothing{}, nothing{}};
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std::vector<GF> V) {
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return {{std::move(block_names)}, std::move(V), nothing{}, nothing{}, nothing{}};
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}
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}
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// ------------------------------- Extend reinterpret_scalar_valued_gf_as_matrix_valued for block gf ------
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// ------------------------------- Extend reinterpret_scalar_valued_gf_as_matrix_valued for block gf ------
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@ -528,9 +528,9 @@ namespace gfs {
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gf_view(gf_impl<Variable, Target, Opt, false, false> &&g) noexcept : B(std::move(g), bool {}) {} // from a gf &&
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gf_view(gf_impl<Variable, Target, Opt, false, false> &&g) noexcept : B(std::move(g), bool {}) {} // from a gf &&
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template <typename D>
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template <typename D>
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gf_view(typename B::mesh_t const &m, D const &dat, typename B::singularity_view_t const &t, typename B::symmetry_t const &s,
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gf_view(typename B::mesh_t const &m, D &&dat, typename B::singularity_view_t const &t, typename B::symmetry_t const &s,
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typename B::indices_t const &ind = typename B::indices_t{}, std::string name = "")
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typename B::indices_t const &ind = typename B::indices_t{}, std::string name = "")
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: B(m, factory<typename B::data_t>(dat), t, s, ind, name, typename B::evaluator_t{}) {}
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: B(m, factory<typename B::data_t>(std::forward<D>(dat)), t, s, ind, name, typename B::evaluator_t{}) {}
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friend void swap(gf_view &a, gf_view &b) noexcept { a.swap_impl(b); }
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friend void swap(gf_view &a, gf_view &b) noexcept { a.swap_impl(b); }
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@ -25,7 +25,7 @@ namespace triqs { namespace py_tools {
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//--------------------- pyref -----------------------------
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//--------------------- pyref -----------------------------
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// a little class to hold an owned ref, make sure it is decref at desctruction
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// a little class to hold an owned ref, make sure it is decref at destruction
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// with some useful factories.
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// with some useful factories.
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class pyref {
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class pyref {
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PyObject * ob = NULL;
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PyObject * ob = NULL;
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@ -272,7 +272,12 @@ template <> struct py_converter<triqs::h5::group> {
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template <typename T> struct py_converter<std::vector<T>> {
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template <typename T> struct py_converter<std::vector<T>> {
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static PyObject * c2py(std::vector<T> const &v) {
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static PyObject * c2py(std::vector<T> const &v) {
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PyObject * list = PyList_New(0);
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PyObject * list = PyList_New(0);
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for (auto const & x : v) if (PyList_Append(list, py_converter<T>::c2py(x)) == -1) { Py_DECREF(list); return NULL;} // error
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for (auto & x : v) if (PyList_Append(list, py_converter<T>::c2py(x)) == -1) { Py_DECREF(list); return NULL;} // error
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return list;
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}
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static PyObject * c2py(std::vector<T> &v) {
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PyObject * list = PyList_New(0);
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for (auto & x : v) if (PyList_Append(list, py_converter<T>::c2py(x)) == -1) { Py_DECREF(list); return NULL;} // error
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return list;
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return list;
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}
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}
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static bool is_convertible(PyObject *ob, bool raise_exception) {
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static bool is_convertible(PyObject *ob, bool raise_exception) {
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@ -374,6 +379,7 @@ template <> struct py_converter<triqs::arrays::range> {
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};
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};
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*/
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*/
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// --- nothing <--> None ----
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// --- nothing <--> None ----
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#ifdef TRIQS_GF_INCLUDED
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#ifdef TRIQS_GF_INCLUDED
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@ -392,6 +398,52 @@ template<> struct py_converter<triqs::gfs::indices_2> : py_converter_from_reduct
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template<bool B> struct py_converter<triqs::gfs::matsubara_domain<B>> : py_converter_from_reductor<triqs::gfs::matsubara_domain<B>>{};
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template<bool B> struct py_converter<triqs::gfs::matsubara_domain<B>> : py_converter_from_reductor<triqs::gfs::matsubara_domain<B>>{};
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template<> struct py_converter<triqs::gfs::R_domain> : py_converter_from_reductor<triqs::gfs::R_domain>{};
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template<> struct py_converter<triqs::gfs::R_domain> : py_converter_from_reductor<triqs::gfs::R_domain>{};
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// Converter for Block gf
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template <typename... T> struct py_converter<triqs::gfs::gf_view<triqs::gfs::block_index, triqs::gfs::gf<T...>>> {
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using gf_type = triqs::gfs::gf<T...>;
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using gf_view_type = triqs::gfs::gf_view<T...>;
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using c_type = triqs::gfs::gf_view<triqs::gfs::block_index, gf_type>;
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static PyObject *c2py(c_type &&g) { return c2py(g);}
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static PyObject *c2py(c_type &g) {
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// rm the view_proxy
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std::vector<gf_view_type> vg;
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vg.reserve(g.data().size());
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for (auto const & x : g.data()) vg.push_back(x);
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pyref v_gf = convert_to_python(vg);
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pyref v_names = convert_to_python(g.mesh().domain().names());
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pyref cls = pyref::module("pytriqs.gf.local").attr("BlockGf");
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if (cls.is_null()) TRIQS_RUNTIME_ERROR <<"Can not find the pytriqs.gf.local.BlockGf";
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pyref kw = PyDict_New();
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PyDict_SetItemString(kw, "name_list", v_names);
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PyDict_SetItemString(kw, "block_list", v_gf);
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pyref empty_tuple = PyTuple_New(0);
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return PyObject_Call(cls, empty_tuple, kw);
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}
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static bool is_convertible(PyObject *ob, bool raise_exception) {
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pyref cls = pyref::module("pytriqs.gf.local").attr("BlockGf");
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if (cls.is_null()) TRIQS_RUNTIME_ERROR <<"Can not find the pytriqs.gf.local.BlockGf";
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int i = PyObject_IsInstance(ob, cls);
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if (i == -1) { // an error has occurred
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i = 0;
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if (!raise_exception) PyErr_Clear();
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}
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if ((i == 0) && (raise_exception)) PyErr_SetString(PyExc_TypeError, "The object is not a BlockGf");
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return i;
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}
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static c_type py2c(PyObject *ob) {
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pyref x = borrowed(ob);
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pyref names = x.attr("_BlockGf__indices");
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pyref gfs = x.attr("_BlockGf__GFlist");
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return make_block_gf_view_from_vector(convert_from_python<std::vector<std::string>>(names),
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convert_from_python<std::vector<gf_view_type>>(gfs));
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}
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};
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#endif
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#endif
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// ---- function ----
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// ---- function ----
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