mirror of
https://github.com/triqs/dft_tools
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97 lines
3.5 KiB
C++
97 lines
3.5 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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#include "./base.hpp"
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#include <hdf5_hl.h>
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namespace triqs {
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namespace h5 {
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// dataspace from lengths and strides. Correct for the complex. strides must be >0
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H5::DataSpace dataspace_from_LS(int R, bool is_complex, hsize_t const *Ltot, hsize_t const *L, hsize_t const *S,
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hsize_t const *offset) {
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int rank = R + (is_complex ? 1 : 0);
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hsize_t totdimsf[rank], dimsf[rank], stridesf[rank], offsetf[rank]; // dataset dimensions
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for (size_t u = 0; u < R; ++u) {
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offsetf[u] = (offset ? offset[u] : 0);
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dimsf[u] = L[u];
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totdimsf[u] = Ltot[u];
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stridesf[u] = S[u];
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}
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if (is_complex) {
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offsetf[rank - 1] = 0;
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dimsf[rank - 1] = 2;
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totdimsf[rank - 1] = 2;
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stridesf[rank - 1] = 1;
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}
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H5::DataSpace ds(rank, totdimsf);
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ds.selectHyperslab(H5S_SELECT_SET, dimsf, offsetf, stridesf);
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return ds;
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}
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/****************** Write string attribute *********************************************/
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void write_string_attribute(H5::H5Object const *obj, std::string name, std::string value) {
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H5::DataSpace attr_dataspace = H5::DataSpace(H5S_SCALAR);
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// Create new string datatype for attribute
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H5::StrType strdatatype(H5::PredType::C_S1, value.size());
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// Set up write buffer for attribute
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// const H5std_string strwritebuf (value);
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// Create attribute and write to it
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H5::Attribute myatt_in = obj->createAttribute(name.c_str(), strdatatype, attr_dataspace);
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// myatt_in.write(strdatatype, strwritebuf);
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myatt_in.write(strdatatype, (void *)(value.c_str()));
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}
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/****************** Read string attribute *********************************************/
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/// Return the attribute name of obj, and "" if the attribute does not exist.
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std::string read_string_attribute(H5::H5Object const *obj, std::string name) {
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std::string value = "";
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H5::Attribute attr;
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if (H5LTfind_attribute(obj->getId(), name.c_str()) == 0) return value; // not present
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// can not find how to get the size with hl. Using full interface
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// herr_t err2 = H5LTget_attribute_string(gr.getId(), x.c_str(), name.c_str() , &(buf.front()) ) ;
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// value.append( &(buf.front()) );
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try {
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attr = obj->openAttribute(name.c_str());
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}
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catch (H5::AttributeIException) {
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return value;
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}
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try {
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H5::DataSpace dataspace = attr.getSpace();
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int rank = dataspace.getSimpleExtentNdims();
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if (rank != 0) TRIQS_RUNTIME_ERROR << "Reading a string attribute and got rank !=0";
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size_t size = attr.getStorageSize();
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H5::StrType strdatatype(H5::PredType::C_S1, size + 1);
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std::vector<char> buf(size + 1, 0x00);
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attr.read(strdatatype, (void *)(&buf[0]));
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value.append(&(buf.front()));
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}
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TRIQS_ARRAYS_H5_CATCH_EXCEPTION;
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return value;
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}
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}
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}
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