mirror of
https://github.com/triqs/dft_tools
synced 2024-11-01 19:53:45 +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.
82 lines
3.7 KiB
C++
82 lines
3.7 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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#include "./scalar.hpp"
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#include "./base.hpp"
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namespace triqs {
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namespace h5 {
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namespace {
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// TODO : Fix complex number ....
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// S must be scalar
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template <typename S> void h5_write_impl(group g, std::string const &key, S a) {
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g.unlink_key_if_exists(key);
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dataspace space = H5Screate(H5S_SCALAR);
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auto ds = g.create_dataset(key, data_type_file<S>(), space);
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auto err = H5Dwrite(ds, data_type_memory<S>(), H5S_ALL, H5S_ALL, H5P_DEFAULT, (void *)(&a));
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if (err < 0) TRIQS_RUNTIME_ERROR << "Error writing the scalar dataset " << key << " in the group" << g.name();
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}
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//-------------------------------------------------------------
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template <typename S> void h5_read_impl(group g, std::string const &name, S &A) {
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dataset ds = g.open_dataset(name);
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dataspace d_space = H5Dget_space(ds);
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// check that rank is 0, it is a scalar.
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int rank = H5Sget_simple_extent_ndims(d_space);
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if (rank != 0)
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TRIQS_RUNTIME_ERROR << "triqs::array::h5::read. Rank mismatch : expecting a scalar (rank =0)"
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<< " while the array stored in the hdf5 file has rank = " << rank;
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herr_t err = H5Dread(ds, data_type_memory<S>(), H5S_ALL, H5S_ALL, H5P_DEFAULT, (void *)(&A));
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if (err < 0) TRIQS_RUNTIME_ERROR << "Error reading the scalar dataset " << name << " in the group" << g.name();
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}
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}
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// template <> void h5_write_impl(group g, std::string const &key, std::complex<double> a);
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// template <> void h5_read_impl(group g, std::string const &key, std::complex<double> &a);
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void h5_write(group g, std::string const &name, int const &x) { h5_write_impl(g, name, x); }
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void h5_write(group g, std::string const &name, long const &x) { h5_write_impl(g, name, x); }
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void h5_write(group g, std::string const &name, size_t const &x) { h5_write_impl(g, name, x); }
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void h5_write(group g, std::string const &name, char const &x) { h5_write_impl(g, name, x); }
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void h5_write(group g, std::string const &name, bool const &x) { h5_write_impl(g, name, x); }
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void h5_write(group g, std::string const &name, double const &x) { h5_write_impl(g, name, x); }
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void h5_write(group g, std::string const &name, std::complex<double> const &x) { h5_write_impl(g, name, x); }
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void h5_read(group g, std::string const &name, int &x) { h5_read_impl(g, name, x); }
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void h5_read(group g, std::string const &name, long &x) { h5_read_impl(g, name, x); }
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void h5_read(group g, std::string const &name, size_t &x) { h5_read_impl(g, name, x); }
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void h5_read(group g, std::string const &name, char &x) { h5_read_impl(g, name, x); }
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void h5_read(group g, std::string const &name, bool &x) { h5_read_impl(g, name, x); }
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void h5_read(group g, std::string const &name, double &x) { h5_read_impl(g, name, x); }
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void h5_read(group g, std::string const &name, std::complex<double> &x) { h5_read_impl(g, name, x); }
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}
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}
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