mirror of
https://github.com/triqs/dft_tools
synced 2024-11-01 03:33:50 +01:00
100 lines
4.0 KiB
C++
100 lines
4.0 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 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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#ifndef TRIQS_H5_VECTOR_H
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#define TRIQS_H5_VECTOR_H
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#include "./group.hpp"
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#include "./string.hpp"
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#include <vector>
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namespace triqs {
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inline std::string get_triqs_hdf5_data_scheme(std::vector<std::string> const & ) { return "vector<string>";}
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template <typename T>
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std::string get_triqs_hdf5_data_scheme(std::vector<T> const&) {
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using triqs::get_triqs_hdf5_data_scheme;// for the basic types, not found by ADL
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std::stringstream fs;
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fs<<"std::vector<"<<get_triqs_hdf5_data_scheme(T())<<">";
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return fs.str();
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}
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namespace h5 {
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// special case of vector of string
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inline void h5_write (group f, std::string const & name, std::vector<std::string> const & V) {
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detail::write_1darray_vector_of_string_impl(f,name,V);
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}
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inline void h5_read (group f, std::string const & name, std::vector<std::string> & V) {
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detail::read_1darray_vector_of_string_impl(f,name,V);
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}
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// implementation for vector of double and complex
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namespace vector_impl {
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// the dataspace corresponding to the array. Contiguous data only...
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template <typename T>
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H5::DataSpace data_space_for_vector (std::vector<T> const & V) {
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mini_vector<hsize_t,1> L,S; S[0]=1;L[0] = V.size();
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return h5::dataspace_from_LS<1, boost::is_complex<T>::value > (L,L,S);
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}
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template<typename T>
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inline void h5_write_vector_impl (group g, std::string const & name, std::vector<T> const & V) {
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try {
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H5::DataSet ds = g.create_dataset(name, h5::data_type_file<T>(), data_space_for_vector(V) );
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ds.write( &V[0], h5::data_type_memory<T>(), data_space_for_vector(V) );
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// if complex, to be python compatible, we add the __complex__ attribute
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if (boost::is_complex<T>::value) h5::write_string_attribute(&ds,"__complex__","1");
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}
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TRIQS_ARRAYS_H5_CATCH_EXCEPTION;
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}
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template<typename T>
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inline void h5_read_impl (group g, std::string const & name, std::vector<T> & V) {
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try {
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H5::DataSet ds = g.open_dataset(name);
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H5::DataSpace dataspace = ds.getSpace();
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static const unsigned int Rank = 1 + (boost::is_complex<T>::value ? 1 : 0);
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int rank = dataspace.getSimpleExtentNdims();
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if (rank != Rank) TRIQS_RUNTIME_ERROR << "triqs : h5 : read vector. Rank mismatch : the array stored in the hdf5 file has rank = "<<rank;
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mini_vector<hsize_t,Rank> dims_out;
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dataspace.getSimpleExtentDims( &dims_out[0], NULL);
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V.resize(dims_out[0]);
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ds.read( &V[0], h5::data_type_memory<T>(), data_space_for_vector(V) , dataspace );
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}
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TRIQS_ARRAYS_H5_CATCH_EXCEPTION;
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}
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}// impl namespace
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inline void h5_write (group f, std::string const & name, std::vector<double> const & V) { vector_impl::h5_write_vector_impl(f,name,V);}
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inline void h5_write (group f, std::string const & name, std::vector<std::complex<double>> const & V) { vector_impl::h5_write_vector_impl(f,name,V);}
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inline void h5_read (group f, std::string const & name, std::vector<double> & V) { vector_impl::h5_read_impl(f,name,V);}
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inline void h5_read (group f, std::string const & name, std::vector<std::complex<double>> & V) { vector_impl::h5_read_impl(f,name,V);}
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}
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}
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#endif
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