mirror of
https://github.com/triqs/dft_tools
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136 lines
8.7 KiB
C++
136 lines
8.7 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) 2011-2014 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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#pragma once
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#include <triqs/utility/mini_vector.hpp>
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#include <type_traits>
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#include <H5Cpp.h>
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#include <triqs/utility/is_complex.hpp>
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namespace triqs {
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inline std::string get_triqs_hdf5_data_scheme(bool) { return "bool";}
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inline std::string get_triqs_hdf5_data_scheme(int) { return "int";}
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inline std::string get_triqs_hdf5_data_scheme(long) { return "long";}
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inline std::string get_triqs_hdf5_data_scheme(long long) { return "long long";}
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inline std::string get_triqs_hdf5_data_scheme(unsigned int) { return "int";}
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inline std::string get_triqs_hdf5_data_scheme(unsigned long) { return "unsigned long";}
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inline std::string get_triqs_hdf5_data_scheme(unsigned long long) { return "unsigned long long";}
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inline std::string get_triqs_hdf5_data_scheme(float) { return "float";}
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inline std::string get_triqs_hdf5_data_scheme(double) { return "double";}
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inline std::string get_triqs_hdf5_data_scheme(long double) { return "long double";}
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inline std::string get_triqs_hdf5_data_scheme(std::complex<double>) { return "complex";}
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namespace h5 {
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using utility::mini_vector;
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// conversion of C type to HDF5 native
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inline H5::PredType native_type_from_C(char) { return H5::PredType::NATIVE_CHAR; }
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inline H5::PredType native_type_from_C(signed char) { return H5::PredType::NATIVE_SCHAR; }
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inline H5::PredType native_type_from_C(unsigned char) { return H5::PredType::NATIVE_UCHAR; }
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inline H5::PredType native_type_from_C(short) { return H5::PredType::NATIVE_SHORT; }
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inline H5::PredType native_type_from_C(unsigned short) { return H5::PredType::NATIVE_USHORT; }
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inline H5::PredType native_type_from_C(int) { return H5::PredType::NATIVE_INT; }
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inline H5::PredType native_type_from_C(unsigned) { return H5::PredType::NATIVE_UINT; }
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inline H5::PredType native_type_from_C(long) { return H5::PredType::NATIVE_LONG; }
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inline H5::PredType native_type_from_C(unsigned long) { return H5::PredType::NATIVE_ULONG; }
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inline H5::PredType native_type_from_C(long long) { return H5::PredType::NATIVE_LLONG; }
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inline H5::PredType native_type_from_C(unsigned long long) { return H5::PredType::NATIVE_ULLONG; }
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inline H5::PredType native_type_from_C(float) { return H5::PredType::NATIVE_FLOAT; }
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inline H5::PredType native_type_from_C(double) { return H5::PredType::NATIVE_DOUBLE; }
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inline H5::PredType native_type_from_C(long double) { return H5::PredType::NATIVE_LDOUBLE; }
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inline H5::PredType native_type_from_C(bool) { return H5::PredType::NATIVE_SCHAR; }
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inline H5::PredType native_type_from_C(std::string) { return H5::PredType::C_S1; }
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// conversion of C type to HDF5 native
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// NEED TO CHANGE THIS ? It is not standard... We should fix a standard or have a trait
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inline H5::PredType h5_type_from_C(char) { return H5::PredType::NATIVE_CHAR; }
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inline H5::PredType h5_type_from_C(signed char) { return H5::PredType::NATIVE_SCHAR; }
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inline H5::PredType h5_type_from_C(unsigned char) { return H5::PredType::NATIVE_UCHAR; }
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inline H5::PredType h5_type_from_C(short) { return H5::PredType::NATIVE_SHORT; }
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inline H5::PredType h5_type_from_C(unsigned short) { return H5::PredType::NATIVE_USHORT; }
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inline H5::PredType h5_type_from_C(int) { return H5::PredType::NATIVE_INT; }
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inline H5::PredType h5_type_from_C(unsigned) { return H5::PredType::NATIVE_UINT; }
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inline H5::PredType h5_type_from_C(long) { return H5::PredType::NATIVE_LONG; }
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inline H5::PredType h5_type_from_C(unsigned long) { return H5::PredType::NATIVE_ULONG; }
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inline H5::PredType h5_type_from_C(long long) { return H5::PredType::NATIVE_LLONG; }
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inline H5::PredType h5_type_from_C(unsigned long long) { return H5::PredType::NATIVE_ULLONG; }
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inline H5::PredType h5_type_from_C(float) { return H5::PredType::NATIVE_FLOAT; }
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inline H5::PredType h5_type_from_C(double) { return H5::PredType::NATIVE_DOUBLE; }
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inline H5::PredType h5_type_from_C(long double) { return H5::PredType::NATIVE_LDOUBLE; }
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inline H5::PredType h5_type_from_C(bool) { return H5::PredType::NATIVE_SCHAR; }
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inline H5::PredType h5_type_from_C(std::string) { return H5::PredType::C_S1; }
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// If it is complex<T> return T else T
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template<typename T> struct remove_complex { typedef T type;};
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template<typename T> struct remove_complex<std::complex<T> > { typedef T type;};
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template<typename T> struct remove_complex<std::complex<const T> > { typedef T type;};
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template<typename T> struct remove_complex<const T>: remove_complex<T>{};
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//------------- compute the data type (removing complex) ----------------------------------
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// in memory
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template <typename S> H5::PredType data_type_memory () { return native_type_from_C(typename remove_complex<S>::type()); }
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// the type of data to put in the file_or_group
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template <typename V> H5::PredType data_type_file () { return h5_type_from_C(typename remove_complex<V>::type());}
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//------------- compute void * pointer to the data ----------------------------------
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template <typename S>
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typename std::enable_if< triqs::is_complex<S>::value, typename std::conditional<std::is_const<S>::value, const void *, void *>::type >::type
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get_data_ptr (S * p) {
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typedef typename std::conditional<std::is_const<S>::value, const typename S::value_type, typename S::value_type>::type T;
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return reinterpret_cast<T*>(p);
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}
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template <typename S >
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typename std::enable_if< !triqs::is_complex<S>::value, typename std::conditional<std::is_const<S>::value, const void *, void *>::type >::type
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get_data_ptr (S * p) {return p;}
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// dataspace from lengths and strides. Correct for the complex. strides must be >0
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// used in array and vectors
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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 = NULL);
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#define TRIQS_ARRAYS_H5_CATCH_EXCEPTION \
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catch( triqs::runtime_error const & error) { throw triqs::runtime_error() << error.what();}\
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catch( H5::AttributeIException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 Attribute error"; }\
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catch( H5::DataSetIException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 DataSet error"; }\
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catch( H5::DataSpaceIException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 DataSpace error"; }\
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catch( H5::DataTypeIException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 DataType error"; }\
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catch( H5::FileIException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 File error"; }\
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catch( H5::GroupIException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 Group error"; }\
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catch( H5::IdComponentException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 IdComponentException error"; }\
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catch( H5::LibraryIException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 LibraryIException error"; }\
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catch( H5::PropListIException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 PropListIException error"; }\
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catch( H5::ReferenceException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 ReferenceException error"; }\
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catch(...) { TRIQS_RUNTIME_ERROR<<"H5 unknown error";}
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/****************** Read/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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/// Returns 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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}}
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