/******************************************************************************* * * TRIQS: a Toolbox for Research in Interacting Quantum Systems * * Copyright (C) 2012 by M. Ferrero, O. Parcollet * * TRIQS is free software: you can redistribute it and/or modify it under the * terms of the GNU General Public License as published by the Free Software * Foundation, either version 3 of the License, or (at your option) any later * version. * * TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY * WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS * FOR A PARTICULAR PURPOSE. See the GNU General Public License for more * details. * * You should have received a copy of the GNU General Public License along with * TRIQS. If not, see . * ******************************************************************************/ #pragma once #include "./mesh_tools.hpp" namespace triqs { namespace gfs { // Three possible meshes enum mesh_kind { half_bins, full_bins, without_last }; /** * Linear mesh */ template struct linear_mesh { using domain_t = Domain; using index_t = long; using domain_pt_t = typename domain_t::point_t; static_assert(!std::is_base_of, domain_pt_t>::value, "Internal error : can not use Linear Mesh in this case"); linear_mesh() : _dom(), L(0), a_pt(0), b_pt(0), xmin(0), xmax(0), del(0), meshk(half_bins) {} explicit linear_mesh(domain_t dom, double a, double b, long n_pts, mesh_kind mk) : _dom(std::move(dom)), L(n_pts), a_pt(a), b_pt(b), meshk(mk) { switch (mk) { case half_bins: del = (b - a) / L; xmin = a + 0.5 * del; break; case full_bins: del = (b - a) / (L - 1); xmin = a; break; case without_last: del = (b - a) / L; xmin = a; break; } xmax = xmin + del * (L - 1); } domain_t const &domain() const { return _dom; } long size() const { return L; } double delta() const { return del; } double x_max() const { return xmax; } double x_min() const { return xmin; } mesh_kind kind() const { return meshk; } /// Conversions point <-> index <-> linear_index domain_pt_t index_to_point(index_t ind) const { return xmin + ind * del; } public: long index_to_linear(index_t ind) const { return ind; } /// The wrapper for the mesh point class mesh_point_t : tag::mesh_point, public utility::arithmetic_ops_by_cast { linear_mesh const *m; index_t _index; public: mesh_point_t() : m(nullptr) {} mesh_point_t(linear_mesh const &mesh, index_t const &index_) : m(&mesh), _index(index_) {} mesh_point_t(linear_mesh const &mesh) : mesh_point_t(mesh,0) {} void advance() { ++_index; } using cast_t = domain_pt_t; operator cast_t() const { return m->index_to_point(_index); } long linear_index() const { return _index; } long index() const { return _index; } bool at_end() const { return (_index == m->size()); } void reset() { _index = 0; } }; /// Accessing a point of the mesh mesh_point_t operator[](index_t i) const { return {*this, i}; } public: /// Iterating on all the points... using const_iterator = mesh_pt_generator; const_iterator begin() const { return const_iterator(this); } const_iterator end() const { return const_iterator(this, true); } const_iterator cbegin() const { return const_iterator(this); } const_iterator cend() const { return const_iterator(this, true); } /// Mesh comparison bool operator==(linear_mesh const &M) const { return ((_dom == M._dom) && (size() == M.size()) && (std::abs(xmin - M.xmin) < 1.e-15) && (std::abs(xmax - M.xmax) < 1.e-15)); } bool operator!=(linear_mesh const &M) const { return !(operator==(M)); } /// Write into HDF5 friend void h5_write(h5::group fg, std::string subgroup_name, linear_mesh const &m) { h5::group gr = fg.create_group(subgroup_name); int k; switch (m.meshk) { case half_bins: k = 0; break; case full_bins: k = 1; break; case without_last: k = 2; break; } h5_write(gr, "domain", m.domain()); h5_write(gr, "min", m.a_pt); h5_write(gr, "max", m.b_pt); h5_write(gr, "size", m.size()); h5_write(gr, "kind", k); } /// Read from HDF5 friend void h5_read(h5::group fg, std::string subgroup_name, linear_mesh &m) { h5::group gr = fg.open_group(subgroup_name); typename linear_mesh::domain_t dom; double a, b; long L; int k; mesh_kind mk; h5_read(gr, "domain", dom); h5_read(gr, "min", a); h5_read(gr, "max", b); h5_read(gr, "size", L); h5_read(gr, "kind", k); switch (k) { case 0: mk = half_bins; break; case 1: mk = full_bins; break; case 2: mk = without_last; break; } m = linear_mesh(std::move(dom), a, b, L, mk); } // BOOST Serialization friend class boost::serialization::access; template void serialize(Archive &ar, const unsigned int version) { ar &TRIQS_MAKE_NVP("domain", _dom); ar &TRIQS_MAKE_NVP("a_pt", a_pt); ar &TRIQS_MAKE_NVP("b_pt", b_pt); ar &TRIQS_MAKE_NVP("xmin", xmin); ar &TRIQS_MAKE_NVP("xmax", xmax); ar &TRIQS_MAKE_NVP("del", del); ar &TRIQS_MAKE_NVP("size", L); ar &TRIQS_MAKE_NVP("kind", meshk); } friend std::ostream &operator<<(std::ostream &sout, linear_mesh const &m) { return sout << "Linear Mesh of size " << m.L; } private: domain_t _dom; long L; double a_pt, b_pt, xmin, xmax, del; mesh_kind meshk; }; // UNUSED, only in deprecated code... /// Simple approximation of a point of the domain by a mesh point. No check template long get_closest_mesh_pt_index(linear_mesh const &mesh, typename D::point_t const &x) { double a = (x - mesh.x_min()) / mesh.delta(); return std::floor(a); } /// Approximation of a point of the domain by a mesh point template std::tuple windowing(linear_mesh const &mesh, typename D::point_t const &x) { double a = (x - mesh.x_min()) / mesh.delta(); long i = std::floor(a), imax = long(mesh.size()) - 1; bool in = (i >= 0) && (i < imax); double w = a - i; if (i == imax) { --i; in = (std::abs(w) < 1.e-12); w = 1.0; } if (i == -1) { i = 0; in = (std::abs(1 - w) < 1.e-12); w = 1.0; } return std::make_tuple(in, i, w); // return std::make_tuple(in, (in ? i : 0),w); } } }