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dft_tools/triqs/h5/base.cpp

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2014-05-04 15:30:32 +02:00
/*******************************************************************************
*
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
*
* Copyright (C) 2011-2014 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/>.
*
******************************************************************************/
#include "./base.hpp"
#include <hdf5_hl.h>
namespace triqs {
namespace h5 {
// dataspace from lengths and strides. Correct for the complex. strides must be >0
H5::DataSpace dataspace_from_LS(int R, bool is_complex, hsize_t const *Ltot, hsize_t const *L, hsize_t const *S,
hsize_t const *offset) {
int rank = R + (is_complex ? 1 : 0);
hsize_t totdimsf[rank], dimsf[rank], stridesf[rank], offsetf[rank]; // dataset dimensions
for (size_t u = 0; u < R; ++u) {
offsetf[u] = (offset ? offset[u] : 0);
dimsf[u] = L[u];
totdimsf[u] = Ltot[u];
stridesf[u] = S[u];
}
if (is_complex) {
offsetf[rank - 1] = 0;
dimsf[rank - 1] = 2;
totdimsf[rank - 1] = 2;
stridesf[rank - 1] = 1;
}
H5::DataSpace ds(rank, totdimsf);
ds.selectHyperslab(H5S_SELECT_SET, dimsf, offsetf, stridesf);
return ds;
}
/****************** Write string attribute *********************************************/
void write_string_attribute(H5::H5Object const *obj, std::string name, std::string value) {
H5::DataSpace attr_dataspace = H5::DataSpace(H5S_SCALAR);
// Create new string datatype for attribute
H5::StrType strdatatype(H5::PredType::C_S1, value.size());
// Set up write buffer for attribute
// const H5std_string strwritebuf (value);
// Create attribute and write to it
H5::Attribute myatt_in = obj->createAttribute(name.c_str(), strdatatype, attr_dataspace);
// myatt_in.write(strdatatype, strwritebuf);
myatt_in.write(strdatatype, (void *)(value.c_str()));
}
/****************** Read string attribute *********************************************/
/// Return the attribute name of obj, and "" if the attribute does not exist.
std::string read_string_attribute(H5::H5Object const *obj, std::string name) {
std::string value = "";
H5::Attribute attr;
if (H5LTfind_attribute(obj->getId(), name.c_str()) == 0) return value; // not present
// can not find how to get the size with hl. Using full interface
// herr_t err2 = H5LTget_attribute_string(gr.getId(), x.c_str(), name.c_str() , &(buf.front()) ) ;
// value.append( &(buf.front()) );
try {
attr = obj->openAttribute(name.c_str());
}
catch (H5::AttributeIException) {
return value;
}
try {
H5::DataSpace dataspace = attr.getSpace();
int rank = dataspace.getSimpleExtentNdims();
if (rank != 0) TRIQS_RUNTIME_ERROR << "Reading a string attribute and got rank !=0";
size_t size = attr.getStorageSize();
H5::StrType strdatatype(H5::PredType::C_S1, size + 1);
std::vector<char> buf(size + 1, 0x00);
attr.read(strdatatype, (void *)(&buf[0]));
value.append(&(buf.front()));
}
TRIQS_ARRAYS_H5_CATCH_EXCEPTION;
return value;
}
}
}