mirror of
https://github.com/triqs/dft_tools
synced 2024-11-01 03:33:50 +01:00
194 lines
10 KiB
C++
194 lines
10 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/>.
|
|
*
|
|
******************************************************************************/
|
|
#ifndef TRIQS_ARRAYS_H5_LOWLEVEL_H
|
|
#define TRIQS_ARRAYS_H5_LOWLEVEL_H
|
|
#include <triqs/arrays/array.hpp>
|
|
#include <triqs/arrays/vector.hpp>
|
|
#include <triqs/h5.hpp>
|
|
#include "../cache.hpp"
|
|
|
|
namespace triqs { namespace arrays {
|
|
namespace h5_impl {
|
|
|
|
template <typename T, int R> const void * get_array_data_cptr ( array_view<T,R> const & A) { return h5::get_data_ptr(&(A.storage()[0]));}
|
|
template <typename T, int R> const void * get_array_data_cptr ( array<T,R> const & A) { return h5::get_data_ptr(&(A.storage()[0]));}
|
|
//template <typename T, int R> void * get_array_data_ptr ( array_view<T,R> & A) { return h5::get_data_ptr(&(A.storage()[0]));}
|
|
//template <typename T, int R> void * get_array_data_ptr ( array<T,R> & A) { return h5::get_data_ptr(&(A.storage()[0]));}
|
|
|
|
template <typename A> ENABLE_IF(is_amv_value_or_view_class<A>) *
|
|
get_array_data_ptr (A & x) { return h5::get_data_ptr(&(x.storage()[0]));}
|
|
|
|
// the dataspace corresponding to the array. Contiguous data only...
|
|
template <typename ArrayType >
|
|
H5::DataSpace data_space ( ArrayType const & A) {
|
|
static const unsigned int R = ArrayType::rank;
|
|
mini_vector<hsize_t,R> S;
|
|
mini_vector<std::ptrdiff_t,R> const & S1 ( A.indexmap().strides() );
|
|
for (size_t u=0; u<R ; ++u) {
|
|
if (S1[u]<=0) TRIQS_RUNTIME_ERROR<<" negative strides not permitted in h5";
|
|
S[u] =1;
|
|
}
|
|
if (!A.indexmap().is_contiguous()) TRIQS_RUNTIME_ERROR<<" h5 : internal error : array not contiguous";
|
|
static const bool is_complex = boost::is_complex<typename ArrayType::value_type>::value;
|
|
return h5::dataspace_from_LS<R,is_complex > ( A.indexmap().domain().lengths(),A.indexmap().domain().lengths(), S);
|
|
}
|
|
|
|
/******************** resize or check the size ****************************************************/
|
|
|
|
template <typename A> ENABLE_IF(is_amv_value_class<A>)
|
|
resize_or_check ( A & a, mini_vector<size_t,A::rank> const & dimsf ) { a.resize( indexmaps::cuboid::domain_t<A::rank>( dimsf)); }
|
|
|
|
template <typename A> ENABLE_IF(is_amv_view_class<A>)
|
|
resize_or_check ( A const & a, mini_vector<size_t,A::rank> const & dimsf ) {
|
|
if (a.indexmap().domain().lengths() != dimsf) TRIQS_RUNTIME_ERROR<<"Dimension error : the view can not be resized : "
|
|
<< "\n in file : "<< dimsf.to_string()
|
|
<< "\n in view : "<<a.indexmap().domain().lengths().to_string() ;
|
|
}
|
|
|
|
/*********************************** WRITE array ****************************************************************/
|
|
/**
|
|
* \brief Write an array or a view into an hdf5 file
|
|
* \tparam
|
|
* \param f The h5 file or group of type H5::H5File or H5::Group
|
|
* \param name The name of the hdf5 array in the file/group where the stack will be stored
|
|
* \param A The array to be stored
|
|
* \param C_reorder bool If true [default] the data will be stored in C order in the hdf5, hence making a temporary
|
|
* cache of the data to reorder them in memory.
|
|
* If false, the array is stored as it [if you know what you are doing]
|
|
* \exception The HDF5 exceptions will be caught and rethrown as TRIQS_RUNTIME_ERROR (with a full stackstrace, cf triqs doc).
|
|
*/
|
|
template <typename T, int R>
|
|
void write_array (h5::group g, std::string const & name, array_view <T,R> const & A, bool C_reorder = true) {
|
|
static_assert( !std::is_base_of<std::string, T>::value, " Not implemented");// 1d is below
|
|
if (C_reorder) { write_array(g,name, make_const_cache(A).view(),false); return; }
|
|
try {
|
|
H5::DataSet ds = g.create_dataset(name, h5::data_type_file<T>(), data_space(A) );
|
|
ds.write( get_array_data_cptr(A), h5::data_type_memory<T>(), data_space(A) );
|
|
// if complex, to be python compatible, we add the __complex__ attribute
|
|
if (boost::is_complex<T>::value) h5::write_string_attribute(&ds,"__complex__","1");
|
|
}
|
|
TRIQS_ARRAYS_H5_CATCH_EXCEPTION;
|
|
}
|
|
|
|
template <typename T, int R>
|
|
void write_array (h5::group g, std::string const & name, array <T,R> const & A, bool C_reorder = true) { write_array(g,name,A(),C_reorder);}
|
|
|
|
/*********************************** READ array ****************************************************************/
|
|
/**
|
|
* \brief Read an array or a view from an hdf5 file
|
|
* \tparam ArrayType The type of the array/matrix/vector, etc..
|
|
* \param f The h5 file or group of type H5::H5File or H5::Group
|
|
* \param name The name of the hdf5 array in the file/group where the stack will be stored
|
|
* \param A The array to be stored
|
|
* \param C_reorder bool If true [default] the data will be stored in C order in the hdf5, hence making a temporary
|
|
* cache of the data to reorder them in memory. If false, the array is stored as it [if you know what you are doing]
|
|
* \exception The HDF5 exceptions will be caught and rethrown as TRIQS_RUNTIME_ERROR (with a full stackstrace, cf triqs doc).
|
|
*/
|
|
template <typename ArrayType>
|
|
void read_array (h5::group g, std::string const & name, ArrayType & A, bool C_reorder = true) {
|
|
static_assert( !std::is_base_of<std::string, typename ArrayType::value_type>::value, " Not implemented");// 1d is below
|
|
typedef typename ArrayType::value_type V;
|
|
try {
|
|
H5::DataSet ds = g.open_dataset(name);
|
|
H5::DataSpace dataspace = ds.getSpace();
|
|
static const unsigned int Rank = ArrayType::rank + (boost::is_complex<typename ArrayType::value_type>::value ? 1 : 0);
|
|
int rank = dataspace.getSimpleExtentNdims();
|
|
if (rank != Rank) TRIQS_RUNTIME_ERROR << "triqs::array::h5::read. Rank mismatch : the array has rank = "
|
|
<<Rank<<" while the array stored in the hdf5 file has rank = "<<rank;
|
|
mini_vector<hsize_t,Rank> dims_out;
|
|
//int ndims = dataspace.getSimpleExtentDims( &dims_out[0], NULL);
|
|
dataspace.getSimpleExtentDims( &dims_out[0], NULL);
|
|
mini_vector<size_t,ArrayType::rank > d2; for (size_t u=0; u<ArrayType::rank ; ++u) d2[u] = dims_out[u];
|
|
resize_or_check(A, d2 );
|
|
if (C_reorder) { read_array(g,name, cache<ArrayType,typename ArrayType::non_view_type>(A).view(),false);}
|
|
//if (C_reorder) { read_array(g,name, make_cache(A).view(),false);}
|
|
ds.read( get_array_data_ptr(A), h5::data_type_memory<typename ArrayType::value_type>(), data_space(A) , dataspace );
|
|
}
|
|
TRIQS_ARRAYS_H5_CATCH_EXCEPTION;
|
|
}
|
|
|
|
// overload : special treatment for arrays of strings (one dimension only).
|
|
inline void write_array (h5::group f, std::string const & name, vector_view<std::string> const & V) {
|
|
h5::detail::write_1darray_vector_of_string_impl(f,name,V);
|
|
}
|
|
|
|
inline void write_array (h5::group f, std::string const & name, array_view<std::string,1> const & V) {
|
|
write_array(f,name,vector_view<std::string>(V));
|
|
}
|
|
|
|
inline void read_array (h5::group f, std::string const & name, arrays::vector<std::string> & V) {
|
|
h5::detail::read_1darray_vector_of_string_impl(f,name,V);
|
|
}
|
|
|
|
// I can not use the generic code, just because the resize of the array take a shape, not a size_t as std::vector and vector
|
|
// Ok, speed is no issue here...
|
|
inline void read_array (h5::group f, std::string const & name, arrays::array<std::string,1> & V) {
|
|
arrays::vector<std::string> res; read_array(f,name,res); V = res;
|
|
}
|
|
|
|
}// namespace h5impl
|
|
|
|
//template<typename ArrayType> struct is_amv_value_or_view_class_no_string :
|
|
// boost::mpl::and_<is_amv_value_or_view_class<ArrayType>, boost::mpl::not_<boost::is_base_of<std::string, typename ArrayType::value_type> > > {};
|
|
|
|
template<typename A, typename Enable=void> struct has_scalar_or_string_value_type : std::false_type{};
|
|
template<typename A> struct has_scalar_or_string_value_type<A, decltype(nop(std::declval<typename A::value_type>()))> :
|
|
boost::mpl::or_<is_scalar<typename A::value_type>,std::is_base_of<std::string,typename A::value_type>>{};
|
|
|
|
template <typename ArrayType>
|
|
TYPE_ENABLE_IFC(std::string,is_amv_value_or_view_class<ArrayType>::value)
|
|
get_triqs_hdf5_data_scheme(ArrayType const&) {
|
|
using triqs::get_triqs_hdf5_data_scheme;// for the basic types, not found by ADL
|
|
std::stringstream fs;
|
|
fs<<"array<"<<get_triqs_hdf5_data_scheme(typename ArrayType::value_type())<<","<<ArrayType::rank<<">";
|
|
return fs.str();
|
|
}
|
|
|
|
/**
|
|
* \brief Read an array or a view from an hdf5 file
|
|
* \tparam ArrayType The type of the array/matrix/vector, etc..
|
|
* \param fg The h5 file or group of type H5::H5File or H5::Group
|
|
* \param name The name of the hdf5 array in the file/group where the stack will be stored
|
|
* \param A The array to be stored
|
|
* \exception The HDF5 exceptions will be caught and rethrown as TRIQS_RUNTIME_ERROR (with a full stackstrace, cf triqs doc).
|
|
*/
|
|
template <typename ArrayType>
|
|
//ENABLE_IF(is_amv_value_or_view_class<ArrayType>)
|
|
ENABLE_IFC(is_amv_value_or_view_class<ArrayType>::value && has_scalar_or_string_value_type<ArrayType>::value)
|
|
h5_read (h5::group fg, std::string const & name, ArrayType & A) { h5_impl::read_array(fg,name, A);}
|
|
|
|
/**
|
|
* \brief Write an array or a view into an hdf5 file
|
|
* \tparam ArrayType The type of the array/matrix/vector, etc..
|
|
* \param fg The h5 file or group of type H5::H5File or H5::Group
|
|
* \param name The name of the hdf5 array in the file/group where the stack will be stored
|
|
* \param A The array to be stored
|
|
* \exception The HDF5 exceptions will be caught and rethrown as TRIQS_RUNTIME_ERROR (with a full stackstrace, cf triqs doc).
|
|
*/
|
|
template <typename ArrayType>
|
|
//ENABLE_IF(is_amv_value_or_view_class<ArrayType>)
|
|
ENABLE_IFC(is_amv_value_or_view_class<ArrayType>::value && has_scalar_or_string_value_type<ArrayType>::value)
|
|
h5_write (h5::group fg, std::string const & name, ArrayType const & A) { h5_impl::write_array(fg,name, array_view<typename ArrayType::value_type, ArrayType::rank>(A));}
|
|
|
|
}}
|
|
#endif
|
|
|