mirror of
https://github.com/triqs/dft_tools
synced 2024-12-26 14:23:38 +01:00
4af1afbdaf
- For users : only change is :
H5::H5File in apps. to be replaced by triqs::h5::file, same API.
- using only the C API because :
- it is cleaner, better documented, more examples.
- it is the native hdf5 interface.
- simplify the installation e.g. on mac. Indeed, hdf5 is
usually installed without C++ interface, which is optional.
E.g. EPD et al., brew by default.
Also the infamous mpi+ hdf5_cpp bug, for which we have no clean solution.
- clean the notion of parent of a group. Not needed, better iterate function in C LT API.
- modified doc : no need for C++ bindings any more.
- modified cmake to avoid requiring CPP bindings.
141 lines
6.5 KiB
C++
141 lines
6.5 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) 2011-2014 by 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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#pragma once
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#include <triqs/arrays/array.hpp>
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#include <triqs/arrays/vector.hpp>
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#include <triqs/h5.hpp>
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#include "../cache.hpp"
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namespace triqs {
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namespace arrays {
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namespace h5_impl {
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struct array_stride_info {
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int R;
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size_t const* lengths;
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long const* strides;
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template<typename A> explicit array_stride_info(A && a) {
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R = std::c14::decay_t<A>::rank;
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lengths = a.indexmap().domain().lengths().ptr();
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strides = a.indexmap().strides().ptr();
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}
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};
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/******************** resize or check the size ****************************************************/
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template <typename A> ENABLE_IF(is_amv_value_class<A>) resize_or_check(A& a, mini_vector<size_t, A::rank> const& dimsf) {
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a.resize(indexmaps::cuboid::domain_t<A::rank>(dimsf));
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}
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template <typename A> ENABLE_IF(is_amv_view_class<A>) resize_or_check(A const& a, mini_vector<size_t, A::rank> const& dimsf) {
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if (a.indexmap().domain().lengths() != dimsf)
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TRIQS_RUNTIME_ERROR << "Dimension error : the view can not be resized : "
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<< "\n in file : " << dimsf.to_string()
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<< "\n in view : " << a.indexmap().domain().lengths().to_string();
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}
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/*********************************** WRITE array ****************************************************************/
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template <typename T> void write_array_impl(h5::group g, std::string const& name, const T* start, array_stride_info info);
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template <typename A> void write_array(h5::group g, std::string const& name, A const& a, bool C_reorder = true) {
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if (C_reorder) {
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auto b = make_const_cache(a).view();
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write_array_impl(g, name, b.data_start(), array_stride_info{b});
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} else
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write_array_impl(g, name, a.data_start(), array_stride_info{a});
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}
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// overload : special treatment for arrays of strings (one dimension only).
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void write_array(h5::group g, std::string const& name, vector_const_view<std::string> V);
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void write_array(h5::group g, std::string const& name, array_const_view<std::string, 1> V);
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/*********************************** READ array ****************************************************************/
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std::vector<size_t> get_array_lengths(int R, h5::group g, std::string const& name, bool is_complex);
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template <typename T> void read_array_impl(h5::group g, std::string const& name, T* start, array_stride_info info);
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template <typename A> void read_array(h5::group g, std::string const& name, A&& a, bool C_reorder = true) {
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// mini_vector... : useless on 4.9 and clang, there seems to be a bug (??) on 4.8.
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resize_or_check(a, mini_vector<size_t, std::c14::decay_t<A>::rank> (get_array_lengths(a.rank, g, name, triqs::is_complex<typename std::c14::decay_t<A>::value_type>::value)));
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if (C_reorder) {
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{
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auto b = make_cache(a);
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read_array_impl(g, name, b.view().data_start(), array_stride_info{b.view()});
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}
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} else
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read_array_impl(g, name, a.data_start(), array_stride_info{a});
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}
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// overload : special treatment for arrays of strings (one dimension only).
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void read_array(h5::group g, std::string const& name, arrays::vector<std::string>& V);
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void read_array(h5::group f, std::string const& name, arrays::array<std::string, 1>& V);
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} // namespace h5_impl
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// a trait to detect if A::value_type exists and is a scalar or a string
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// used to exclude array<array<..>>
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template <typename A, typename Enable = void> struct has_scalar_or_string_value_type : std::false_type {};
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template <typename A>
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struct has_scalar_or_string_value_type<
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A, decltype(nop(std::declval<
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typename A::value_type>()))> : std::integral_constant<bool, is_scalar<typename A::value_type>::value ||
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std::is_base_of<std::string,
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typename A::value_type>::value> {};
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// get_triqs_hdf5_data_scheme
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template <typename ArrayType>
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TYPE_ENABLE_IFC(std::string, is_amv_value_or_view_class<ArrayType>::value) get_triqs_hdf5_data_scheme(ArrayType const&) {
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using triqs::get_triqs_hdf5_data_scheme; // for the basic types, not found by ADL
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return "array<" + get_triqs_hdf5_data_scheme(typename ArrayType::value_type()) + "," + std::to_string(ArrayType::rank) + ">";
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}
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/*
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* Read an array or a view from an hdf5 file
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* ArrayType The type of the array/matrix/vector, etc..
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* g The h5 group
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* name The name of the hdf5 array in the file/group where the stack will be stored
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* A The array to be stored
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* The HDF5 exceptions will be caught and rethrown as TRIQS_RUNTIME_ERROR (with a full stackstrace, cf triqs doc).
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*/
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template <typename ArrayType>
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ENABLE_IFC(is_amv_value_or_view_class<ArrayType>::value&& has_scalar_or_string_value_type<ArrayType>::value)
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h5_read(h5::group g, std::string const& name, ArrayType& A) {
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h5_impl::read_array(g, name, A);
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}
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/*
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* Write an array or a view into an hdf5 file
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* ArrayType The type of the array/matrix/vector, etc..
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* g The h5 group
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* name The name of the hdf5 array in the file/group where the stack will be stored
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* A The array to be stored
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* The HDF5 exceptions will be caught and rethrown as TRIQS_RUNTIME_ERROR (with a full stackstrace, cf triqs doc).
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*/
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template <typename ArrayType>
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ENABLE_IFC(is_amv_value_or_view_class<ArrayType>::value&& has_scalar_or_string_value_type<ArrayType>::value)
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h5_write(h5::group g, std::string const& name, ArrayType const& A) {
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if (A.is_empty()) TRIQS_RUNTIME_ERROR << " Can not save an empty array into hdf5";
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h5_impl::write_array(g, name, array_const_view<typename ArrayType::value_type, ArrayType::rank>(A));
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}
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}}
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