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.
100 lines
3.1 KiB
C++
100 lines
3.1 KiB
C++
/*******************************************************************************
|
|
*
|
|
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
|
*
|
|
* Copyright (C) 2011-2013 by 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 <http://www.gnu.org/licenses/>.
|
|
*
|
|
******************************************************************************/
|
|
#pragma once
|
|
#include "./file.hpp"
|
|
|
|
namespace triqs {
|
|
namespace h5 {
|
|
|
|
/**
|
|
* \brief A local derivative of Group.
|
|
* Rational : use ADL for h5_read/h5_write, catch and rethrow exception, add some policy for opening/creating
|
|
*/
|
|
class group : public h5_object {
|
|
void _write_triqs_hdf5_data_scheme(const char *a); // impl.
|
|
|
|
public:
|
|
group() = default; // for python converter only
|
|
|
|
///
|
|
group(group const &) = default;
|
|
|
|
/// Takes the "/" group at the top of the file
|
|
group(h5::file f);
|
|
|
|
/**
|
|
* Takes ownership of the id [expert only]
|
|
* id can be :
|
|
* - a file : in this case, make a group on /
|
|
* - a group : in this case, take the id of the group. DOES NOT take ownership of the ref
|
|
*/
|
|
group(hid_t id_);
|
|
|
|
// [expert only]. If not present, the obj is casted to hid_t and there is a ref. leak
|
|
group(h5_object obj);
|
|
|
|
/// Name of the group
|
|
std::string name() const;
|
|
|
|
/// Write the triqs tag of the group if it is an object.
|
|
template <typename T> void write_triqs_hdf5_data_scheme(T const &obj) {
|
|
_write_triqs_hdf5_data_scheme(get_triqs_hdf5_data_scheme(obj).c_str());
|
|
}
|
|
|
|
/// Read the triqs tag of the group if it is an object. Returns"" if attribute is not present
|
|
std::string read_triqs_hdf5_data_scheme() const;
|
|
|
|
///
|
|
bool has_key(std::string const &key) const;
|
|
|
|
///
|
|
void unlink_key_if_exists(std::string const &key) const;
|
|
|
|
/// Open a subgroup. Throw it if does not exists
|
|
group open_group(std::string const &key) const;
|
|
|
|
/// Open an existing DataSet. Throw it if does not exists
|
|
dataset open_dataset(std::string const &key) const;
|
|
|
|
/**
|
|
* \brief Create a subgroup.
|
|
* \param key The name of the subgroup
|
|
* \param delete_if_exists Unlink the group if it exists
|
|
*/
|
|
group create_group(std::string const &key, bool delete_if_exists = true) const;
|
|
|
|
/**
|
|
* \brief Create a dataset.
|
|
* \param key The name of the subgroup
|
|
*
|
|
* NB : It unlinks the dataset if it exists.
|
|
*/
|
|
dataset create_dataset(std::string const &key, datatype ty, dataspace sp, hid_t pl = H5P_DEFAULT) const;
|
|
|
|
/// Returns all names of subgroup of G
|
|
std::vector<std::string> get_all_subgroup_names() const;
|
|
|
|
/// Returns all names of dataset of G
|
|
std::vector<std::string> get_all_dataset_names() const;
|
|
};
|
|
}
|
|
}
|