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mirror of https://github.com/triqs/dft_tools synced 2024-11-01 11:43:47 +01:00
dft_tools/test/triqs/parameters/param.cpp
Olivier Parcollet 39edb2f846 [API change] gf : factories -> constructors
- Make more general constructors for the gf.
  gf( mesh, target_shape_t)
- remove the old make_gf for the basic gf.
- 2 var non generic gf removed.
- clean evaluator
- add tensor_valued
- add a simple vertex test.
- clean specialisation
- Fix bug introduced in 1906dc3
- forgot to resize the gf in new version of operator =
- Fix make_singularity in gf.hpp

- clean resize in operator =

- update h5 read/write for block gf
  - changed a bit the general trait to save *all* the gf.
  - allows a more general specialization, then a correct for blocks

- NOT FINISHED : need to save the block indice for python.
  How to reread ?
  Currently it read the blocks names and reconstitute the mesh from it.
  Is it sufficient ?

- clean block constructors

 - block constructors simplest possible : an int for the number of blocks
 - rest in free factories.
 - fixed the generic constructor from GfType for the regular type :
   only enable iif GfType is ImmutableGreenFunction

- multivar. fix linear index in C, and h5 format

  - linear index now correctly flatten in C mode
    (was in fortran mode), using a simple reverse of the tuple in the folding.
  - fix the h5 read write of the multivar fonctions
   in order to write an array on dimension # variables + dim_target
   i.e. without flattening the indices of the meshes.
   Easier for later data analysis, e.g. in Python.

- merge matrix/tensor_valued. improve factories

  - matrix_valued now = tensor_valued<2>
    (simplifies generic code for h5).
  - factories_one_var -> factories : this is the generic case ...
    only a few specialization, code is simpler.

- clef expression call with rvalue for *this
- generalize matrix_proxy to tensor and clean

 - clean exception catch in tests

  - exception catching catch in need in test
    because the silly OS X does not print anything, just "exception occurred".
    Very convenient for the developer...
  - BUT, one MUST add return 1, or the make test will *pass* !!
  - --> systematically replace the catch by a macro TRIQS_CATCH_AND_ABORT
    which return a non zero error code.
   - exception : curry_and_fourier which does not work at this stage
   (mesh incompatible).

- gf: clean draft of gf 2 times
  - comment the python interface for the moment.
  - rm useless tests
2013-10-21 15:11:44 +02:00

163 lines
4.4 KiB
C++

#include <triqs/parameters.hpp>
#include <iostream>
#define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
using namespace triqs;
using namespace triqs::utility;
using triqs::arrays::array;
// what is the concept of things that can be put in the dict ?
struct my_obj {
int i;
my_obj(int i_) { i=i_;}
my_obj() { i=0;}
my_obj(my_obj const & x) { i = x.i;}
my_obj(my_obj && x) { std::swap(i,x.i);}
my_obj & operator = (my_obj && x)= default;
// h5 operation
friend std::string get_triqs_hdf5_data_scheme( my_obj const&) { return "myobject_is_nice";}
friend void h5_write ( h5::group F, std::string const & subgroup_name, my_obj const & p){
h5::group gr = F.create_group(subgroup_name);
gr.write_triqs_hdf5_data_scheme(p);
h5_write(gr,"data",p.i);
}
friend void h5_read ( h5::group F, std::string const & subgroup_name, my_obj & p){
auto gr = F.open_group(subgroup_name);
h5_read(gr,"data",p.i);
}
// print
friend std::ostream & operator << (std::ostream & out, my_obj const & p) { return out<< "myobject("<<p.i<<")";}
// boost serialization
friend class boost::serialization::access;
template<class Archive>
void serialize(Archive & ar, const unsigned int version) { ar & boost::serialization::make_nvp("i",i); }
};
// just to make the object printable
namespace std {
template<typename K, typename V>
std::ostream & operator << (std::ostream & out, std::map<K,V> const &) { return out << "map";}
}
namespace std {
template<typename K, typename V>
std::string get_triqs_hdf5_data_scheme (std::map<K,V> const &) {
using triqs::get_triqs_hdf5_data_scheme;// for the basic types, not found by ADL
std::stringstream fs;
fs<<"map<"<<get_triqs_hdf5_data_scheme(K())<<","<<get_triqs_hdf5_data_scheme(V())<<">";
return fs.str();
}
}
int main() {
try {
parameters P;
P["myobject1"] = my_obj(18);
P["a"] = long(1);
P["d"] = 2.7;
P["s"] = std::string("-14.3");
P["sc"] = "-14.3";
std::map<std::string, int> mm;
mm["qwe"] = 123;
P["mm"] = mm;
std::cout << " map = "<< P["mm"]<< std::endl ;
std::cout << "123 = "<<utility::extract<std::map<std::string,int>>(P["mm"])["qwe"]<< std::endl ;
// raises an error as it should ...
//std::cout << utility::extract<int>(P["d"]) << std::endl;
triqs::arrays::array<double,2> A(2,2); A()=0;A(0,0) = 1.3; A(1,1) = -8.2;
triqs::arrays::array<long,1> B(3); B()=0;B(0) = 3; B(1) = -8;
triqs::arrays::matrix<double> U(2,2);U()=1.;
P["U"] = U;
triqs::arrays::vector<double> V(3);V()=1.;
P["V"] = V;
P["A"] = std::move(A);
P["B"] = B;
std::cout << "A"<< P["A"] << std::endl;
std::cout << "B"<< P["B"] << std::endl;
triqs::arrays::array<long,1> C;
C = extract<decltype(C)>(P["B"]);
std::cout << "C" << C << std::endl;
array<array<int,2>, 1> aa(3);
aa(0) = A; aa(1) = 2*A;
P["aa"] = aa;
std::cout << "get_triqs_hdf5_data_scheme :"<< get_triqs_hdf5_data_scheme(aa)<< std::endl;
long j = P["a"];
double x = P["d"];
double y = P["a"];
double z = P["s"];
double zc = P["sc"];
std::cout << j << std::endl ;
std::cout << x << std::endl;
std::cout << y << std::endl ;
std::cout << z << std::endl ;
std::cout << zc << std::endl ;
std::cout << P["a"] << std::endl ;
std::cout << P["aa"] << std::endl ;
std::cout << P["s"] << std::endl ;
std::string rs = P["s"];
// testing that copy is a copy
parameters P2 = P;
P2["a"] = 12.3;
// Put P2 in P ...
P["P2"] = P2;
std::cout << P << std::endl;
{
H5::H5File file( "ess.h5", H5F_ACC_TRUNC );
h5_write( file, "Parameters", P);
}
{
H5::H5File file( "ess2.h5", H5F_ACC_TRUNC );
h5_write( file, "Parameters", P2);
}
std::string s = triqs::serialize(P);
parameters P3 = triqs::deserialize<parameters>(s);
{
H5::H5File file( "ess3.h5", H5F_ACC_TRUNC );
h5_write( file, "Parameters", P3);
}
parameters P4;
parameters::register_type<triqs::arrays::array<double,1>>();
std::cout << "P4 before : "<< P4<< std::endl ;
{
H5::H5File file( "ess.h5", H5F_ACC_RDONLY );
h5_read( file.openGroup("/"), "Parameters", P4);
}
{
H5::H5File file( "ess_relo.h5", H5F_ACC_TRUNC );
h5_write( file.openGroup("/"), "Parameters", P4);
}
std::cout << "P4 after : "<< P4<< std::endl ;
std::cout << "map retrieval "<<utility::extract<std::map<std::string,int>>(P4["mm"])["qwe"]<< std::endl ;
//std::cout << triqs::deserialize<array<array<int,2>,1>>(utility::extract<std::string>(P4["aa"])) << std::endl ;
}
TRIQS_CATCH_AND_ABORT;
}