mirror of
https://github.com/triqs/dft_tools
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270 lines
12 KiB
C++
270 lines
12 KiB
C++
/*******************************************************************************
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*
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* TRIQS: a Toolbox for Research in Interacting Quantum Systems
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*
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* Copyright (C) 2012 by M. Ferrero, O. Parcollet
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*
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* TRIQS is free software: you can redistribute it and/or modify it under the
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* terms of the GNU General Public License as published by the Free Software
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* Foundation, either version 3 of the License, or (at your option) any later
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* version.
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*
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* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
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* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
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* details.
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*
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* You should have received a copy of the GNU General Public License along with
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* TRIQS. If not, see <http://www.gnu.org/licenses/>.
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*
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******************************************************************************/
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#ifndef TRIQS_GF_BLOCK_H
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#define TRIQS_GF_BLOCK_H
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#include "./tools.hpp"
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#include "./gf.hpp"
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#include "./local/tail.hpp"
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#include "./meshes/discrete.hpp"
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namespace triqs {
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namespace gfs {
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struct block_index {};
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template <typename Opt> struct gf_mesh<block_index, Opt> : discrete_mesh<discrete_domain> {
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typedef discrete_mesh<discrete_domain> B;
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gf_mesh() = default;
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gf_mesh(int s) : B(s) {}
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gf_mesh(discrete_domain const &d) : B(d) {}
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gf_mesh(std::initializer_list<std::string> const &s) : B(s) {}
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};
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namespace gfs_implementation {
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/// --------------------------- hdf5 ---------------------------------
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template <typename Target, typename Opt> struct h5_name<block_index, Target, Opt> {
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static std::string invoke() { return "BlockGf"; }
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};
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template <typename Target, typename Opt> struct h5_rw<block_index, Target, Opt> {
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static void write(h5::group gr, gf_const_view<block_index, Target, Opt> g) {
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for (size_t i = 0; i < g.mesh().size(); ++i) h5_write(gr, g.mesh().domain().names()[i], g._data[i]);
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// h5_write(gr,"symmetry",g._symmetry);
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}
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template <bool IsView> static void read(h5::group gr, gf_impl<block_index, Target, Opt, IsView, false> &g) {
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// does not work : need to read the block name and remake the mesh...
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g._mesh = gf_mesh<block_index, Opt>(gr.get_all_subgroup_names());
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g._data.resize(g._mesh.size());
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// if (g._data.size() != g._mesh.size()) TRIQS_RUNTIME_ERROR << "h5 read block gf : number of block mismatch";
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for (size_t i = 0; i < g.mesh().size(); ++i) h5_read(gr, g.mesh().domain().names()[i], g._data[i]);
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// h5_read(gr,"symmetry",g._symmetry);
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}
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};
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/// --------------------------- data access ---------------------------------
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template <typename Target, typename Opt>
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struct data_proxy<block_index, Target, Opt> : data_proxy_vector<typename regular_type_if_exists_else_type<Target>::type> {};
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// ------------------------------- Factories --------------------------------------------------
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template <typename Target, typename Opt> struct factories<block_index, Target, Opt> {
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typedef gf_mesh<block_index, Opt> mesh_t;
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typedef gf<block_index, Target> gf_t;
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typedef gf_view<block_index, Target> gf_view_t;
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struct target_shape_t {};
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static typename gf_t::data_t make_data(mesh_t const &m, target_shape_t) { return std::vector<Target>(m.size()); }
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static typename gf_t::singularity_t make_singularity(mesh_t const &m, target_shape_t) {
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return {};
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}
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};
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} // gfs_implementation
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// ------------------------------- aliases --------------------------------------------------
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template <typename... T> using block_gf = gf<block_index, gf<T...>>;
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template <typename... T> using block_gf_view = gf_view<block_index, gf<T...>>;
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template <typename... T> using block_gf_const_view = gf_const_view<block_index, gf<T...>>;
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// ------------------------------- Free Factories for regular type --------------------------------------------------
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// from a number and a gf to be copied
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template <typename Variable, typename Target, typename Opt>
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block_gf<Variable, Target, Opt> make_block_gf(int n, gf<Variable, Target, Opt> const &g) {
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auto V = std::vector<gf<Variable, Target, Opt>>{};
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for (int i = 0; i < n; ++i) V.push_back(g);
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return {{n}, std::move(V), nothing{}, nothing{}, nothing{}};
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}
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// from a vector of gf (moving directly)
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template <typename Variable, typename Target, typename Opt>
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block_gf<Variable, Target, Opt> make_block_gf(std::vector<gf<Variable, Target, Opt>> V) {
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return {{int(V.size())}, std::move(V), nothing{}, nothing{}, nothing{}};
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}
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// from a vector of gf : generalized to have a different type of gf in the vector (e.g. views...)
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template <typename Variable, typename Target, typename Opt, typename GF2>
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block_gf<Variable, Target, Opt> make_block_gf(std::vector<GF2> const &V) {
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auto V2 = std::vector<gf<Variable, Target, Opt>>{};
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for (auto const &g : V) V2.push_back(g);
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return {{int(V.size())}, std::move(V2), nothing{}, nothing{}, nothing{}};
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}
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// from a init list of GF with the correct type
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template <typename Variable, typename Target, typename Opt>
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block_gf<Variable, Target, Opt> make_block_gf(std::initializer_list<gf<Variable, Target, Opt>> const &V) {
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return {{int(V.size())}, V, nothing{}, nothing{}, nothing{}};
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}
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// from vector<string> and a gf to be copied
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template <typename Variable, typename Target, typename Opt>
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block_gf<Variable, Target, Opt> make_block_gf(std::vector<std::string> block_names, gf<Variable, Target, Opt> const &g) {
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auto V = std::vector<gf<Variable, Target, Opt>>{};
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for (int i = 0; i < block_names.size(); ++i) V.push_back(g);
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return {{block_names}, std::move(V), nothing{}, nothing{}, nothing{}};
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}
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// from vector<string>, vector<gf>
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template <typename Variable, typename Target, typename Opt>
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block_gf<Variable, Target, Opt> make_block_gf(std::vector<std::string> block_names, std::vector<gf<Variable, Target, Opt>> V) {
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if (block_names.size() != V.size())
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TRIQS_RUNTIME_ERROR << "make_block_gf(vector<string>, vector<gf>) : the two vectors do not have the same size !";
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return {{block_names}, std::move(V), nothing{}, nothing{}, nothing{}};
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}
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// from vector<string>, init_list<GF>
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template <typename Variable, typename Target, typename Opt>
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block_gf<Variable, Target, Opt> make_block_gf(std::vector<std::string> block_names,
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std::initializer_list<gf<Variable, Target, Opt>> const &V) {
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if (block_names.size() != V.size()) TRIQS_RUNTIME_ERROR << "make_block_gf(vector<string>, init_list) : size mismatch !";
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return {{block_names}, V, nothing{}, nothing{}, nothing{}};
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}
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// ------------------------------- Free Factories for view type --------------------------------------------------
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template <typename G0, typename... G>
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gf_view<block_index, typename std::remove_reference<G0>::type::view_type> make_block_gf_view(G0 &&g0, G &&... g) {
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auto V = std::vector<typename std::remove_reference<G0>::type::view_type>{std::forward<G0>(g0), std::forward<G>(g)...};
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return {{int(V.size())}, std::move(V), nothing{}, nothing{}, nothing{}};
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// return { gf_mesh<block_index, Opt> {int(V.size())}, std::move(V), nothing{}, nothing{} } ;
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}
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template <typename GF> gf_view<block_index, typename GF::regular_type> make_block_gf_view_from_vector(std::vector<GF> V) {
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return {{int(V.size())}, std::move(V), nothing{}, nothing{}, nothing{}};
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}
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// for cython proxy only. do not document.
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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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return {{int(V.size())}, std::move(V), nothing{}, nothing{}, nothing{}};
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}
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// ------------------------------- Extend reinterpret_scalar_valued_gf_as_matrix_valued for block gf ------
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template <typename Variable, typename Opt, typename Opt2, bool IsConst>
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gf_view<block_index, gf<Variable, matrix_valued, Opt>, Opt2, IsConst>
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reinterpret_scalar_valued_gf_as_matrix_valued(gf_view<block_index, gf<Variable, scalar_valued, Opt>, Opt2, IsConst> bg) {
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std::vector<gf_view<Variable, matrix_valued, Opt>> V;
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for (auto &g : bg) V.push_back(reinterpret_scalar_valued_gf_as_matrix_valued(g));
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return make_block_gf_view_from_vector(std::move(V));
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}
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template <typename Variable, typename Opt, typename Opt2>
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gf_const_view<block_index, gf<Variable, matrix_valued, Opt>, Opt2>
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reinterpret_scalar_valued_gf_as_matrix_valued(gf<block_index, gf<Variable, scalar_valued, Opt>, Opt2> const &bg) {
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return reinterpret_scalar_valued_gf_as_matrix_valued(bg());
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}
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template <typename Variable, typename Opt, typename Opt2>
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gf_view<block_index, gf<Variable, matrix_valued, Opt>, Opt2>
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reinterpret_scalar_valued_gf_as_matrix_valued(gf<block_index, gf<Variable, scalar_valued, Opt>, Opt2> &bg) {
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return reinterpret_scalar_valued_gf_as_matrix_valued(bg());
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}
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// ------------------------------- Free functions --------------------------------------------------
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// a simple function to get the number of blocks
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template <typename T> size_t n_blocks(gf<block_index, T> const &g) { return g.mesh().size(); }
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template <typename T> size_t n_blocks(gf_view<block_index, T> const &g) { return g.mesh().size(); }
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// ------------------------------- an iterator over the blocks --------------------------------------------------
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template<typename T> using __get_target = typename std::remove_reference<decltype(std::declval<T>()[0])>::type;
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// iterator
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template <typename G>
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class block_gf_iterator
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: public boost::iterator_facade<block_gf_iterator<G>, __get_target<G>, boost::forward_traversal_tag, __get_target<G> &> {
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friend class boost::iterator_core_access;
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typedef typename std::remove_reference<G>::type big_gf_t;
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big_gf_t &big_gf;
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typedef typename big_gf_t::mesh_t::const_iterator mesh_iterator_t;
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mesh_iterator_t mesh_it;
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__get_target<G> &dereference() const { return big_gf[*mesh_it]; }
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bool equal(block_gf_iterator const &other) const { return ((mesh_it == other.mesh_it)); }
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public:
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block_gf_iterator(big_gf_t &bgf, bool at_end = false) : big_gf(bgf), mesh_it(&big_gf.mesh(), at_end) {}
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void increment() { ++mesh_it; }
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bool at_end() const { return mesh_it.at_end(); }
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};
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//------------
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template <typename Target, typename Opt, bool B, bool C>
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block_gf_iterator<gf_impl<block_index, Target, Opt, B, C>> begin(gf_impl<block_index, Target, Opt, B, C> &bgf) {
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return {bgf, false};
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}
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//------------
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template <typename Target, typename Opt, bool B, bool C>
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block_gf_iterator<gf_impl<block_index, Target, Opt, B, C>> end(gf_impl<block_index, Target, Opt, B, C> &bgf) {
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return {bgf, true};
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}
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//----- const iterator
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template <typename G>
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class block_gf_const_iterator
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: public boost::iterator_facade<block_gf_const_iterator<G>, __get_target<G>, boost::forward_traversal_tag, __get_target<G> const &> {
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friend class boost::iterator_core_access;
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typedef typename std::remove_reference<G>::type big_gf_t;
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big_gf_t const &big_gf;
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typedef typename big_gf_t::mesh_t::const_iterator mesh_iterator_t;
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mesh_iterator_t mesh_it;
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__get_target<G> const &dereference() const { return big_gf[*mesh_it]; }
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bool equal(block_gf_const_iterator const &other) const { return ((mesh_it == other.mesh_it)); }
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public:
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block_gf_const_iterator(big_gf_t const &bgf, bool at_end = false) : big_gf(bgf), mesh_it(&big_gf.mesh(), at_end) {}
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void increment() { ++mesh_it; }
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bool at_end() const { return mesh_it.at_end(); }
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};
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template <typename Target, typename Opt, bool B, bool C>
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block_gf_const_iterator<gf_impl<block_index, Target, Opt, B, C>> begin(gf_impl<block_index, Target, Opt, B, C> const &bgf) {
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return {bgf, false};
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}
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template <typename Target, typename Opt, bool B, bool C>
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block_gf_const_iterator<gf_impl<block_index, Target, Opt, B, C>> end(gf_impl<block_index, Target, Opt, B, C> const &bgf) {
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return {bgf, true};
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}
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template <typename Target, typename Opt, bool B, bool C>
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block_gf_const_iterator<gf_impl<block_index, Target, Opt, B, C>> cbegin(gf_impl<block_index, Target, Opt, B, C> const &bgf) {
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return {bgf, false};
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}
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template <typename Target, typename Opt, bool B, bool C>
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block_gf_const_iterator<gf_impl<block_index, Target, Opt, B, C>> cend(gf_impl<block_index, Target, Opt, B, C> const &bgf) {
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return {bgf, true};
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}
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}
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}
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#endif
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