mirror of
https://github.com/triqs/dft_tools
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109 lines
4.7 KiB
C++
109 lines
4.7 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) 2011-2013 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_GROUP_H
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#define TRIQS_H5_GROUP_H
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#include "./base.hpp"
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namespace triqs { namespace h5 {
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/**
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* \brief A local derivative of Group.
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* Rational : use ADL for h5_read/h5_write, catch and rethrow exception, add some policy for opening/creating
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*/
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class group {
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H5::Group _g;
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public:
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group() = default;
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group( group const & ) = default;
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group (H5::Group g) : _g(g) {}
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/// Takes the "/" group at the top of the file.
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group (H5::H5File f) : _g(f.openGroup("/")) {} // can not fail, right ?
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group(std::string const & filename, int flag) { H5::H5File f(filename, H5F_ACC_TRUNC); *this = group(f);}
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group(hid_t id_, bool is_group) {
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if (is_group) { _g.setId(id_); }
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else { H5::H5File f; f.setId(id_); *this = group(f); }
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}
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/// Write the triqs tag of the group if it is an object.
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template<typename T> void write_triqs_hdf5_data_scheme (T const & obj) {
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h5::write_string_attribute( &_g, "TRIQS_HDF5_data_scheme" , get_triqs_hdf5_data_scheme(obj).c_str() ) ;
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}
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/// Read the triqs tag of the group if it is an object. Returns"" if attribute is not present
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std::string read_triqs_hdf5_data_scheme() const { return read_string_attribute(&_g, "TRIQS_HDF5_data_scheme") ; }
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///
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bool has_key (std::string const & key) const { return (H5Lexists(_g.getId(), key.c_str(), H5P_DEFAULT)); }
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///
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void unlink_key_if_exists(std::string const & key) const { if (this->has_key(key)) _g.unlink(key.c_str()); }
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/// Open a subgroup. Throw it if does not exists
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group open_group(std::string const & key) const {
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if (!has_key(key)) TRIQS_RUNTIME_ERROR << "no subgroup "<<key <<" in the group";
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group res;
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try { res = _g.openGroup(key.c_str());}
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catch (H5::GroupIException const & e){ TRIQS_RUNTIME_ERROR << "Error in opening the subgroup "<< key <<"\n H5 error message : \n "<< e.getCDetailMsg(); }
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return res;
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}
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/// Open an existing DataSet. Throw it if does not exists
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H5::DataSet open_dataset(std::string const & key) const {
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if (!has_key(key)) TRIQS_RUNTIME_ERROR << "no dataset "<<key <<" in the group";
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H5::DataSet res;
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try { res = _g.openDataSet(key.c_str());}
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catch (H5::GroupIException const & e){ TRIQS_RUNTIME_ERROR << "Error in opening the dataset "<< key <<"\n H5 error message : \n "<< e.getCDetailMsg(); }
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return res;
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}
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/**
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* \brief Create a subgroup.
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* \param key : the name of the subgroup
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* \param delete_if_exists : unlink the group if it exists
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*/
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group create_group(std::string const & key, bool delete_if_exists = true) const {
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unlink_key_if_exists(key);
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return _g.createGroup(key.c_str());
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}
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/**
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* \brief Create a dataset.
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* \param key : the name of the subgroup
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* \param all others are forwarded to H5::Group
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* It unlinks the dataset if it exists.
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*/
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template<typename ... Args>
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H5::DataSet create_dataset(std::string const & key, Args && ... args) const {
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unlink_key_if_exists(key);
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H5::DataSet res;
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try{ res = _g.createDataSet(key.c_str(), std::forward<Args>(args)...);}
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catch (H5::GroupIException const & e){ TRIQS_RUNTIME_ERROR << "Error in creating the dataset "<< key <<"\n H5 error message : \n "<< e.getCDetailMsg(); }
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return res;
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}
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/// Returns all names of subgroup of key in G
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std::vector<std::string> get_all_subgroup_names(std::string const & key) const;
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/// Returns all names of dataset of key in G
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std::vector<std::string> get_all_dataset_names(std::string const & key) const;
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void write_string_attribute (std::string const & obj_name, std::string const & attr_name, std::string const & value){
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herr_t err = H5LTset_attribute_string(_g.getId(),obj_name.c_str(),attr_name.c_str(), value.c_str() ) ;
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if (err<0) TRIQS_RUNTIME_ERROR << "Error in setting attribute of "<< obj_name<<" named "<< attr_name << " to " << value;
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}
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};
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}}
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#endif
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