mirror of
https://github.com/triqs/dft_tools
synced 2024-12-26 14:23:38 +01:00
39edb2f846
- 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
163 lines
4.4 KiB
C++
163 lines
4.4 KiB
C++
#include <triqs/parameters.hpp>
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#include <iostream>
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#define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
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using namespace triqs;
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using namespace triqs::utility;
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using triqs::arrays::array;
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// what is the concept of things that can be put in the dict ?
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struct my_obj {
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int i;
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my_obj(int i_) { i=i_;}
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my_obj() { i=0;}
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my_obj(my_obj const & x) { i = x.i;}
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my_obj(my_obj && x) { std::swap(i,x.i);}
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my_obj & operator = (my_obj && x)= default;
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// h5 operation
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friend std::string get_triqs_hdf5_data_scheme( my_obj const&) { return "myobject_is_nice";}
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friend void h5_write ( h5::group F, std::string const & subgroup_name, my_obj const & p){
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h5::group gr = F.create_group(subgroup_name);
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gr.write_triqs_hdf5_data_scheme(p);
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h5_write(gr,"data",p.i);
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}
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friend void h5_read ( h5::group F, std::string const & subgroup_name, my_obj & p){
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auto gr = F.open_group(subgroup_name);
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h5_read(gr,"data",p.i);
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}
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// print
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friend std::ostream & operator << (std::ostream & out, my_obj const & p) { return out<< "myobject("<<p.i<<")";}
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// boost serialization
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friend class boost::serialization::access;
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template<class Archive>
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void serialize(Archive & ar, const unsigned int version) { ar & boost::serialization::make_nvp("i",i); }
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};
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// just to make the object printable
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namespace std {
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template<typename K, typename V>
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std::ostream & operator << (std::ostream & out, std::map<K,V> const &) { return out << "map";}
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}
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namespace std {
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template<typename K, typename V>
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std::string get_triqs_hdf5_data_scheme (std::map<K,V> const &) {
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using triqs::get_triqs_hdf5_data_scheme;// for the basic types, not found by ADL
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std::stringstream fs;
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fs<<"map<"<<get_triqs_hdf5_data_scheme(K())<<","<<get_triqs_hdf5_data_scheme(V())<<">";
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return fs.str();
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}
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}
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int main() {
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try {
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parameters P;
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P["myobject1"] = my_obj(18);
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P["a"] = long(1);
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P["d"] = 2.7;
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P["s"] = std::string("-14.3");
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P["sc"] = "-14.3";
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std::map<std::string, int> mm;
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mm["qwe"] = 123;
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P["mm"] = mm;
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std::cout << " map = "<< P["mm"]<< std::endl ;
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std::cout << "123 = "<<utility::extract<std::map<std::string,int>>(P["mm"])["qwe"]<< std::endl ;
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// raises an error as it should ...
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//std::cout << utility::extract<int>(P["d"]) << std::endl;
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triqs::arrays::array<double,2> A(2,2); A()=0;A(0,0) = 1.3; A(1,1) = -8.2;
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triqs::arrays::array<long,1> B(3); B()=0;B(0) = 3; B(1) = -8;
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triqs::arrays::matrix<double> U(2,2);U()=1.;
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P["U"] = U;
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triqs::arrays::vector<double> V(3);V()=1.;
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P["V"] = V;
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P["A"] = std::move(A);
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P["B"] = B;
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std::cout << "A"<< P["A"] << std::endl;
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std::cout << "B"<< P["B"] << std::endl;
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triqs::arrays::array<long,1> C;
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C = extract<decltype(C)>(P["B"]);
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std::cout << "C" << C << std::endl;
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array<array<int,2>, 1> aa(3);
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aa(0) = A; aa(1) = 2*A;
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P["aa"] = aa;
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std::cout << "get_triqs_hdf5_data_scheme :"<< get_triqs_hdf5_data_scheme(aa)<< std::endl;
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long j = P["a"];
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double x = P["d"];
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double y = P["a"];
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double z = P["s"];
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double zc = P["sc"];
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std::cout << j << std::endl ;
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std::cout << x << std::endl;
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std::cout << y << std::endl ;
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std::cout << z << std::endl ;
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std::cout << zc << std::endl ;
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std::cout << P["a"] << std::endl ;
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std::cout << P["aa"] << std::endl ;
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std::cout << P["s"] << std::endl ;
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std::string rs = P["s"];
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// testing that copy is a copy
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parameters P2 = P;
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P2["a"] = 12.3;
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// Put P2 in P ...
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P["P2"] = P2;
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std::cout << P << std::endl;
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{
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H5::H5File file( "ess.h5", H5F_ACC_TRUNC );
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h5_write( file, "Parameters", P);
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}
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{
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H5::H5File file( "ess2.h5", H5F_ACC_TRUNC );
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h5_write( file, "Parameters", P2);
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}
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std::string s = triqs::serialize(P);
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parameters P3 = triqs::deserialize<parameters>(s);
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{
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H5::H5File file( "ess3.h5", H5F_ACC_TRUNC );
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h5_write( file, "Parameters", P3);
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}
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parameters P4;
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parameters::register_type<triqs::arrays::array<double,1>>();
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std::cout << "P4 before : "<< P4<< std::endl ;
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{
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H5::H5File file( "ess.h5", H5F_ACC_RDONLY );
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h5_read( file.openGroup("/"), "Parameters", P4);
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}
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{
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H5::H5File file( "ess_relo.h5", H5F_ACC_TRUNC );
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h5_write( file.openGroup("/"), "Parameters", P4);
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}
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std::cout << "P4 after : "<< P4<< std::endl ;
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std::cout << "map retrieval "<<utility::extract<std::map<std::string,int>>(P4["mm"])["qwe"]<< std::endl ;
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//std::cout << triqs::deserialize<array<array<int,2>,1>>(utility::extract<std::string>(P4["aa"])) << std::endl ;
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}
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TRIQS_CATCH_AND_ABORT;
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}
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