dft_tools/triqs/h5/base.hpp

/*******************************************************************************
 *
 * 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/>.
 *
 ******************************************************************************/
#pragma once
#include <triqs/utility/mini_vector.hpp>
#include <type_traits>
#include <H5Cpp.h>
#include <triqs/utility/is_complex.hpp>

namespace triqs { 

  inline std::string get_triqs_hdf5_data_scheme(bool)                 { return "bool";}
  inline std::string get_triqs_hdf5_data_scheme(int)                  { return "int";}
  inline std::string get_triqs_hdf5_data_scheme(long)                 { return "long";}
  inline std::string get_triqs_hdf5_data_scheme(long long)            { return "long long";}
  inline std::string get_triqs_hdf5_data_scheme(unsigned int)         { return "int";}
  inline std::string get_triqs_hdf5_data_scheme(unsigned long)        { return "unsigned long";}
  inline std::string get_triqs_hdf5_data_scheme(unsigned long long)   { return "unsigned long long";}
  inline std::string get_triqs_hdf5_data_scheme(float)                { return "float";}
  inline std::string get_triqs_hdf5_data_scheme(double)               { return "double";}
  inline std::string get_triqs_hdf5_data_scheme(long double)          { return "long double";}
  inline std::string get_triqs_hdf5_data_scheme(std::complex<double>) { return "complex";}

 namespace h5 { 

  using utility::mini_vector;

  // conversion of C type to HDF5 native
  inline H5::PredType native_type_from_C(char)               { return H5::PredType::NATIVE_CHAR; }
  inline H5::PredType native_type_from_C(signed char)        { return H5::PredType::NATIVE_SCHAR; }
  inline H5::PredType native_type_from_C(unsigned char)      { return H5::PredType::NATIVE_UCHAR; }
  inline H5::PredType native_type_from_C(short)              { return H5::PredType::NATIVE_SHORT; }
  inline H5::PredType native_type_from_C(unsigned short)     { return H5::PredType::NATIVE_USHORT; }
  inline H5::PredType native_type_from_C(int)                { return H5::PredType::NATIVE_INT; }
  inline H5::PredType native_type_from_C(unsigned)           { return H5::PredType::NATIVE_UINT; }
  inline H5::PredType native_type_from_C(long)               { return H5::PredType::NATIVE_LONG; }
  inline H5::PredType native_type_from_C(unsigned long)      { return H5::PredType::NATIVE_ULONG; }
  inline H5::PredType native_type_from_C(long long)          { return H5::PredType::NATIVE_LLONG; }
  inline H5::PredType native_type_from_C(unsigned long long) { return H5::PredType::NATIVE_ULLONG; }
  inline H5::PredType native_type_from_C(float)              { return H5::PredType::NATIVE_FLOAT; }
  inline H5::PredType native_type_from_C(double)             { return H5::PredType::NATIVE_DOUBLE; }
  inline H5::PredType native_type_from_C(long double)        { return H5::PredType::NATIVE_LDOUBLE; }
  inline H5::PredType native_type_from_C(bool)               { return H5::PredType::NATIVE_SCHAR; }
  inline H5::PredType native_type_from_C(std::string)        { return H5::PredType::C_S1; }

  // conversion of C type to HDF5 native
  // NEED TO CHANGE THIS ? It is not standard... We should fix a standard or have a trait 
  inline H5::PredType h5_type_from_C(char)               { return H5::PredType::NATIVE_CHAR; }
  inline H5::PredType h5_type_from_C(signed char)        { return H5::PredType::NATIVE_SCHAR; }
  inline H5::PredType h5_type_from_C(unsigned char)      { return H5::PredType::NATIVE_UCHAR; }
  inline H5::PredType h5_type_from_C(short)              { return H5::PredType::NATIVE_SHORT; }
  inline H5::PredType h5_type_from_C(unsigned short)     { return H5::PredType::NATIVE_USHORT; }
  inline H5::PredType h5_type_from_C(int)                { return H5::PredType::NATIVE_INT; }
  inline H5::PredType h5_type_from_C(unsigned)           { return H5::PredType::NATIVE_UINT; }
  inline H5::PredType h5_type_from_C(long)               { return H5::PredType::NATIVE_LONG; }
  inline H5::PredType h5_type_from_C(unsigned long)      { return H5::PredType::NATIVE_ULONG; }
  inline H5::PredType h5_type_from_C(long long)          { return H5::PredType::NATIVE_LLONG; }
  inline H5::PredType h5_type_from_C(unsigned long long) { return H5::PredType::NATIVE_ULLONG; }
  inline H5::PredType h5_type_from_C(float)              { return H5::PredType::NATIVE_FLOAT; }
  inline H5::PredType h5_type_from_C(double)             { return H5::PredType::NATIVE_DOUBLE; }
  inline H5::PredType h5_type_from_C(long double)        { return H5::PredType::NATIVE_LDOUBLE; }
  inline H5::PredType h5_type_from_C(bool)               { return H5::PredType::NATIVE_SCHAR; }
  inline H5::PredType h5_type_from_C(std::string)        { return H5::PredType::C_S1; }

  // If it is complex<T> return T else T
  template<typename T> struct remove_complex { typedef T type;};
  template<typename T> struct remove_complex<std::complex<T> > { typedef T type;};
  template<typename T> struct remove_complex<std::complex<const T> > { typedef T type;};
  template<typename T> struct remove_complex<const T>: remove_complex<T>{};

  //------------- compute the data type (removing complex) ----------------------------------

  // in memory
  template <typename S> H5::PredType data_type_memory () { return native_type_from_C(typename remove_complex<S>::type()); }

  // the type of data to put in the file_or_group
  template <typename V> H5::PredType data_type_file () { return h5_type_from_C(typename remove_complex<V>::type());}

  //------------- compute void * pointer to the data ----------------------------------
  template <typename S>
   typename std::enable_if< triqs::is_complex<S>::value, typename std::conditional<std::is_const<S>::value, const void *, void *>::type >::type 
    get_data_ptr (S * p) { 
     typedef typename std::conditional<std::is_const<S>::value, const typename S::value_type, typename S::value_type>::type T; 
     return reinterpret_cast<T*>(p); 
    }

  template <typename S >
   typename std::enable_if< !triqs::is_complex<S>::value, typename std::conditional<std::is_const<S>::value, const void *, void *>::type >::type 
   get_data_ptr (S * p) {return p;}

  // dataspace from lengths and strides. Correct for the complex. strides must be >0
  // used in array and vectors
  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 = NULL);

#define TRIQS_ARRAYS_H5_CATCH_EXCEPTION \
  catch( triqs::runtime_error const & error)  { throw triqs::runtime_error() << error.what();}\
  catch( H5::AttributeIException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 Attribute error";  }\
  catch( H5::DataSetIException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 DataSet error"; }\
  catch( H5::DataSpaceIException const & error ) { error.printError();  TRIQS_RUNTIME_ERROR<<"H5 DataSpace error"; }\
  catch( H5::DataTypeIException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 DataType error";  }\
  catch( H5::FileIException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 File error"; }\
  catch( H5::GroupIException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 Group error"; }\
  catch( H5::IdComponentException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 IdComponentException error"; }\
  catch( H5::LibraryIException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 LibraryIException error"; }\
  catch( H5::PropListIException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 PropListIException error"; }\
  catch( H5::ReferenceException const & error ) { error.printError(); TRIQS_RUNTIME_ERROR<<"H5 ReferenceException error"; }\
  catch(...) { TRIQS_RUNTIME_ERROR<<"H5 unknown error";} 

  /****************** Read/Write string attribute *********************************************/

  void write_string_attribute(H5::H5Object const *obj, std::string name, std::string value);

  /// Returns the attribute name of obj, and "" if the attribute does not exist.
  std::string read_string_attribute(H5::H5Object const *obj, std::string name);

 }}