mirror of
https://github.com/triqs/dft_tools
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158 lines
7.3 KiB
C++
158 lines
7.3 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 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_ARRAYS_H5_STACK_H
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#define TRIQS_ARRAYS_H5_STACK_H
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#include "../array.hpp"
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#include <triqs/h5.hpp>
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#include "./simple_read_write.hpp"
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namespace triqs { namespace arrays {
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namespace h5_stack_details { // to be replaced by ellipsis
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template<class T, size_t N, ull_t Opt> array_view<T,N-1,Opt> slice0( array<T,N,Opt> & A, size_t ind);
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#define AUX(z,p,unused) BOOST_PP_COMMA_IF(p) range()
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#define IMPL(z, NN, unused) \
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template<class T, ull_t Opt> array_view<T,BOOST_PP_INC(NN),Opt> slice0( array<T,BOOST_PP_INC(NN)+1,Opt> & A, size_t ind) {\
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return A(ind,BOOST_PP_REPEAT(BOOST_PP_INC(NN),AUX,nil));}
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BOOST_PP_REPEAT(ARRAY_NRANK_MAX , IMPL, nil);
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#undef IMPL
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#undef AUX
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template<class T, ull_t Opt> T & slice0( array<T,1,Opt> & A, size_t ind) { return A(ind);}
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template<typename B, typename Enable = void> struct get_value_type { typedef B type; static const size_t rank = 0;};
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template<typename B> struct get_value_type<B, typename boost::enable_if<is_amv_value_class<B> >::type > {
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typedef typename B::value_type type;static const size_t rank = B::rank;};
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}
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/**
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* \brief Hdf5 array stack
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* \tparam BaseElementType The type of the base element of the stack. Can be an array/matrix/vector or a scalar.
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* If it in a scalar, the array_stack will write an hdf5 array of dimension 1
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* If it in an array/matrix/vector, the array_stack will write an hdf5 array of dimension BaseElementType::rank +1
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*
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*/
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template< typename BaseElementType>
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class array_stack {
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typedef BaseElementType base_element_type;
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static_assert( (is_amv_value_class<BaseElementType>::value || is_scalar<BaseElementType>::value), "BaseElementType must be an array/matrix/vector or a simple number");
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typedef typename h5_stack_details::get_value_type<BaseElementType>::type T;
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static const size_t dim = h5_stack_details::get_value_type<BaseElementType>::rank;
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static const bool base_is_array = dim >0;
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size_t bufsize_, step, _size;
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static const bool T_is_complex = boost::is_complex<T>::value;
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static const unsigned int RANK = dim + 1 + (T_is_complex ? 1 : 0);
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utility::mini_vector<hsize_t,RANK> dims, offset, maxdims, dim_chunk, buffer_dim, zero;
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H5::DataSet dataset;
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array<T,dim+1> buffer;
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template <typename FileGroupType >
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void construct_delegate ( FileGroupType g, std::string const & name, mini_vector<size_t,dim> const & a_dims, size_t bufsize) {
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mini_vector<hsize_t,RANK> dim_chunk;
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bufsize_ = bufsize; step = 0; _size =0;
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for (size_t i =1; i<=dim; ++i) { dims[i] = a_dims[i-1];}
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if (T_is_complex) { dims[RANK-1] =2; }
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maxdims = dims; buffer_dim = dims; dim_chunk = dims;
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dims[0] = 0; maxdims[0] = H5S_UNLIMITED; dim_chunk[0]=1; buffer_dim[0] = bufsize_;
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mini_vector<size_t,dim+1> s; for (size_t i =0; i<=dim; ++i) {s[i] = buffer_dim[i];}
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buffer.resize(s);
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H5::DataSpace mspace1( RANK, dims.ptr(), maxdims.ptr());
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H5::DSetCreatPropList cparms; cparms.setChunk( RANK, dim_chunk.ptr() ); // Modify dataset creation properties, i.e. enable chunking.
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try {
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dataset = g.create_dataset(name,h5::native_type_from_C(typename h5::remove_complex<T>::type()), mspace1, cparms );
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if (boost::is_complex<T>::value) h5::write_string_attribute(&dataset,"__complex__","1");
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}
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TRIQS_ARRAYS_H5_CATCH_EXCEPTION;
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}
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public :
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/**
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* \brief Constructor
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* \param g The h5 file or group, of type FileGroupType
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* \param name The name of the hdf5 array in the file/group where the stack will be stored
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* \param base_element_shape The shape of the base array/matrix/vector [or mini_vector<size_t,0>() for a scalar]
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* \param bufsize The size of the bufferThe name of the hdf5 array in the file/group where the stack will be stored
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* \exception The HDF5 exceptions will be caught and rethrown as TRIQS_RUNTIME_ERROR (with stackstrace, cf doc).
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*/
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template <typename FileGroupType >
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array_stack( FileGroupType g, std::string const & name, mini_vector<size_t,dim> const & base_element_shape, size_t bufsize) {
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construct_delegate ( g, name, base_element_shape, bufsize);
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}
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/**
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* \brief Constructor : valid only if the base is a scalar
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* \param g The h5 file or group, of type FileGroupType
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* \param name The name of the hdf5 array in the file/group where the stack will be stored
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* \param bufsize The size of the bufferThe name of the hdf5 array in the file/group where the stack will be stored
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* \exception The HDF5 exceptions will be caught and rethrown as TRIQS_RUNTIME_ERROR (with stackstrace, cf doc).
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*/
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template <typename FileGroupType >
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array_stack( FileGroupType g, std::string const & name, size_t bufsize) {
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static_assert( (is_scalar<BaseElementType>::value), "This constructor is only available for a scalar BaseElementType");
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construct_delegate ( g, name,mini_vector<size_t,0>() , bufsize);
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}
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///
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~array_stack() {flush();}
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/// The type of the base of the stack (a view or a reference)
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typedef typename boost::mpl::if_c< base_is_array , array_view<T,dim>, T &>::type slice_type;
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/**
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* \return A view (for an array/matrix/vector base) or a reference (for a scalar base) to the top of the stack
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* i.e. the next element to be assigned to
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*/
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slice_type operator() () { return h5_stack_details::slice0(buffer, step); }
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/// Advance the stack by one
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void operator++() { ++step; ++_size; if (step==bufsize_) flush(); }
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/// Flush the buffer to the disk. Automatically called at destruction.
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void flush() { save_buffer(); step=0;}
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/**
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* \brief Add a element onto the stack and advance it by one.
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* S << A is equivalent to S() = A; ++S;
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*/
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template<class AType> void operator << ( AType const & A) { (*this)() = A; ++(*this);}
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/// Current size of the stack
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size_t size() const { return _size;}
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private:
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void save_buffer () {
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if (step==0) return;
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dims[0] += step;
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buffer_dim[0] = step;
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dataset.extend(dims.ptr());
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H5::DataSpace fspace1 = dataset.getSpace (), mspace = h5_impl::data_space(buffer);
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fspace1.selectHyperslab( H5S_SELECT_SET, buffer_dim.ptr(), offset.ptr() );
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mspace.selectHyperslab( H5S_SELECT_SET, buffer_dim.ptr(), zero.ptr() );
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try { dataset.write( h5_impl::get_array_data_ptr(buffer), h5::data_type_memory<T>(), mspace, fspace1 ); }
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TRIQS_ARRAYS_H5_CATCH_EXCEPTION;
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offset [0] += step;
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}
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};
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}} // namespace
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#endif
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