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https://github.com/triqs/dft_tools
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add converter for scalar_valued gf
- converted as 1x1 matrix view. - add a small test
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@ -24,3 +24,23 @@ void pass_bgf(block_gf_view<imfreq> g) {
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h5_write(file, "g", g);
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h5_write(file, "g", g);
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}
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}
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}
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}
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// scalar gf
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gf_view<imfreq,scalar_valued> make_sgf(double a) {
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double beta = 1;
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auto G1 = gf<imfreq, scalar_valued>({beta, Fermion});
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{
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H5::H5File file("ess_test_g3a.h5", H5F_ACC_TRUNC);
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h5_write(file, "g", G1);
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}
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return G1;
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}
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void pass_sgf(gf_view<imfreq,scalar_valued> g) {
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{
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H5::H5File file("ess_test_g3b.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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@ -8,6 +8,10 @@ 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 = "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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module.add_function (name = "pass_bgf", signature = "void (block_gf_view<imfreq> g) ", doc = "DOC of print_a")
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module.add_function (name = "make_sgf", signature = "gf_view<imfreq,scalar_valued> (double a)", doc = "DOC of print_a")
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module.add_function (name = "pass_sgf", signature = "void (gf_view<imfreq,scalar_valued> g)", doc = "DOC of print_a")
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if __name__ == '__main__' :
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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_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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module.generate_py_converter_header(mako_template = sys.argv[3], wrap_file = sys.argv[4])
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@ -1,5 +1,4 @@
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#pragma once
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#pragma once
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#include <Python.h>
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#include <Python.h>
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#include "structmember.h"
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#include "structmember.h"
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#include <string>
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#include <string>
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@ -27,7 +26,6 @@ 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 destruction
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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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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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public:
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public:
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@ -46,9 +44,6 @@ class pyref {
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pyref(pyref && p){ ob = p.ob; p.ob=NULL;}
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pyref(pyref && p){ ob = p.ob; p.ob=NULL;}
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pyref& operator =(pyref const&) = delete;
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pyref& operator =(pyref const&) = delete;
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pyref& operator =(pyref &&p) {ob = p.ob; p.ob=NULL; return *this;}
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pyref& operator =(pyref &&p) {ob = p.ob; p.ob=NULL; return *this;}
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// factories. No public constructor.
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// The point is that PyObject is borrowed or new, depending on the function that produced it
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// Need to check in the API doc for each case.
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static pyref module(std::string const &module_name) { return PyImport_ImportModule(module_name.c_str()); }
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static pyref module(std::string const &module_name) { return PyImport_ImportModule(module_name.c_str()); }
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static pyref string(std::string const &s) { return PyString_FromString(s.c_str());}
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static pyref string(std::string const &s) { return PyString_FromString(s.c_str());}
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};
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};
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@ -58,18 +53,19 @@ class pyref {
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//--------------------- py_converters -----------------------------
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//--------------------- py_converters -----------------------------
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// default version for a wrapped type. To be specialized later.
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// default version for a wrapped type. To be specialized later.
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// py2c behaviour is undefined is is_convertible return false
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template<typename T> struct py_converter;
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template<typename T> struct py_converter;
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//static PyObject * c2py(T const & x);
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//{
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//static T & py2c(PyObject * ob);
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// static PyObject * c2py(T const & x);
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//static bool is_convertible(PyObject * ob, bool raise_exception);
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// static T & py2c(PyObject * ob);
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//
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// static bool is_convertible(PyObject * ob, bool raise_exception);
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//}
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// We only use these functions in the code, not converter
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// We only use these functions in the code, not converter
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// TODO : Does c2py return NULL in failure ? Or is it undefined...
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// TODO : Does c2py return NULL in failure ? Or is it undefined...
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template <typename T> static PyObject *convert_to_python(T &&x) {
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template <typename T> static PyObject *convert_to_python(T &&x) {
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return py_converter<typename std::decay<T>::type>::c2py(std::forward<T>(x));
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return py_converter<typename std::decay<T>::type>::c2py(std::forward<T>(x));
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}
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}
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// can convert_from_python raise a triqs exception ? NO
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template<typename T> static auto convert_from_python(PyObject * ob) -> decltype(py_converter<T>::py2c(ob)) { return py_converter<T>::py2c(ob);}
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template<typename T> static auto convert_from_python(PyObject * ob) -> decltype(py_converter<T>::py2c(ob)) { return py_converter<T>::py2c(ob);}
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template <typename T> static bool convertible_from_python(PyObject *ob, bool raise_exception) {
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template <typename T> static bool convertible_from_python(PyObject *ob, bool raise_exception) {
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return py_converter<T>::is_convertible(ob, raise_exception);
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return py_converter<T>::is_convertible(ob, raise_exception);
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@ -371,19 +367,6 @@ 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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// --- gf<U...> ----
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/*template <typename ...U > struct py_converter<triqs::gfs::gf<U...>> {
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using conv = py_converter<triqs::gfs::gf_view<U...>>;
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static PyObject *c2py(triqs::gfs::gf<U...> &g) { return conv::c2py(g); }
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static PyObject *c2py(triqs::gfs::gf<U...> &&g) { return conv::c2py(g); }
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static bool is_convertible(PyObject *ob, bool raise_exception) {
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return conv::is_convertible(ob,raise_exception);
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}
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static triqs::gfs::gf<U...> py2c(PyObject *ob) { return conv::py2c(ob); }
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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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@ -409,9 +392,7 @@ template <typename... T> struct py_converter<triqs::gfs::gf_view<triqs::gfs::blo
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using gf_view_type = triqs::gfs::gf_view<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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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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static PyObject *c2py(c_type &g) {
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// rm the view_proxy
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// rm the view_proxy
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std::vector<gf_view_type> vg;
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std::vector<gf_view_type> vg;
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vg.reserve(g.data().size());
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vg.reserve(g.data().size());
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@ -448,6 +429,29 @@ template <typename... T> struct py_converter<triqs::gfs::gf_view<triqs::gfs::blo
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}
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}
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};
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};
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// Converter for scalar_valued gf : reinterpreted as 1x1 matrix
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template <typename Variable, typename Opt> struct py_converter<triqs::gfs::gf_view<Variable, triqs::gfs::scalar_valued, Opt>>{
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using conv = py_converter<triqs::gfs::gf_view<Variable, triqs::gfs::matrix_valued, Opt>>;
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using c_t = triqs::gfs::gf_view<Variable, triqs::gfs::scalar_valued, Opt>;
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static PyObject *c2py(c_t g) {
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return conv::c2py(reinterpret_scalar_valued_gf_as_matrix_valued(g));
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}
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static bool is_convertible(PyObject *ob, bool raise_exception) {
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if (!conv::is_convertible(ob,raise_exception)) return false;
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auto g = conv::py2c(ob); // matrix view
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if (get_target_shape(g) == make_shape(1,1)) return true;
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if (raise_exception) PyErr_SetString(PyExc_RuntimeError,"The green function is not of dimension 1x1 : can not be reinterpreted as a scalar_valued Green function");
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return false;
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}
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static c_t py2c(PyObject *ob) {
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return slice_target_to_scalar(conv::py2c(ob),0,0);
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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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