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dft_tools/test/triqs/parameters/param.cpp

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#include <triqs/parameters.hpp>
#include <iostream>
#define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
using namespace triqs;
using namespace triqs::params;
using namespace triqs::arrays;
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); }
};
int main() {
try {
parameters P;
P.add_field("a", 1, "?")
.add_field("d", 2.0, "")
.add_field("s", "", "")
.add_field("sc", "", "")
.add_field("U", no_default<array<double, 2>>(), "")
.add_field("A", no_default<matrix<double>>(), "")
.add_field("V", no_default<arrays::vector<double>>(), "")
.add_field("B", no_default<array<long, 1>>(), "")
//.add_field("myobject1", no_default<my_obj>(), "")
;
//P["myobject1"] = my_obj(18);
P["a"] = long(1);
P["d"] = 2.7;
P["s"] = std::string("-14.3");
P["sc"] = "-14.3";
// raises an error as it should ...
try {
std::cout << extract<int>(P["d"]) << std::endl;
}
catch(std::exception const & e) {
std::cout << "caught error "<< e.what() <<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;
// testing that I can extract a view and modify it.
triqs::arrays::array_view<long, 1> VC = extract<triqs::arrays::array_view<long, 1>>(P["B"]);
std::cout << "VC" << VC << std::endl;
VC(0) *= 2;
C = extract<decltype(C)>(P["B"]);
std::cout << "C" << C << std::endl;
/*array<array<int,2>, 1> aa(2);
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::string rs = P["s"];
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::cout << P << std::endl;
{
h5::file file( "ess.h5", H5F_ACC_TRUNC );
h5_write( file, "Parameters", P);
}
auto P4 = P;
{
h5::file file( "ess.h5", H5F_ACC_RDONLY );
h5_read( file, "Parameters", P4);
}
{
h5::file file( "ess_relo.h5", H5F_ACC_TRUNC );
h5_write( file, "Parameters", P4);
}
std::cout << "P4 after : \n"<< P4<< std::endl ;
}
[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
2013-10-16 23:55:26 +02:00
TRIQS_CATCH_AND_ABORT;
}