mirror of
https://github.com/triqs/dft_tools
synced 2024-12-26 22:33:48 +01:00
4af1afbdaf
- For users : only change is :
H5::H5File in apps. to be replaced by triqs::h5::file, same API.
- using only the C API because :
- it is cleaner, better documented, more examples.
- it is the native hdf5 interface.
- simplify the installation e.g. on mac. Indeed, hdf5 is
usually installed without C++ interface, which is optional.
E.g. EPD et al., brew by default.
Also the infamous mpi+ hdf5_cpp bug, for which we have no clean solution.
- clean the notion of parent of a group. Not needed, better iterate function in C LT API.
- modified doc : no need for C++ bindings any more.
- modified cmake to avoid requiring CPP bindings.
106 lines
2.5 KiB
C++
106 lines
2.5 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::params;
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using namespace triqs::arrays;
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namespace h5 = triqs::h5;
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int main() {
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try {
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parameters P,P2;
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P.add_field("A", no_default<int>(), "really ?")
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.add_field("D", 2.0, " int ")
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.add_field("E", 3u, " unsigned int ")
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.add_field("F", long(4), " long ")
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.add_field("B", short(0), " short ")
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.add_field("C", 1u, " unsigned short ")
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.add_field("G", 5ll, " long ")
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.add_field("I", double(7.8), " doube ")
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.add_field("K", std::complex<double>(12), " double complex ")
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.add_field("L", std::string("13"), " string ")
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.add_field("M", std::vector<double>{1, 4}, " vector ")
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.add_field("Ml", std::vector<double>{1, 2, 3, 4, 5, 6, 7, 8, 9}, " a long vector ")
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.add_field("N", double(15), "")
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.add_field("s", no_default<std::string>(), "")
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.add_field("sc", no_default<std::string>(), "")
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.add_field("a1", no_default<array<double, 2>>(), " A nice array")
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.add_field("a2", no_default<array<long, 1>>(), "")
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.add_field("W", int(16), "");
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std::cout << P << std::endl;
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P2 = P;
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P2.sort_by_key();
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std::cout << P2 << std::endl;
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auto P_vide = P ;
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P["A"] = long(1);
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std::cout << P["A"];
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P["D"] = 2;
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P["D"] = 2.5;
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P["s"] = std::string("-14.3");
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P["sc"] = "-14.3";
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array<double,2> A(2,2); A()=0;A(0,0) = 1.3; A(1,1) = -8.2;
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array<long,1> B(100); B()=8; B(0) = 3; B(1) = -8;
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P["a1"] = std::move(A);
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P["a2"] =B;
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// errors
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//P["D"] = "eee";
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//int i = P["D"];
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std::cout << P << std::endl;
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// P2.update(pdef);
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// testing that copy is a copy
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P2["A"] = 12;
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std::cout << P["A"] << std::endl;
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std::cout << P2["A"] << std::endl;
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// put a subparameter ...
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P.add_group("Group1", " doc ");
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P["Group1"].add_field("a", 1, "sub a 1");
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P["Group1"]["a"] = 10;
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P["Group1"].add_group("subgroup1.2", " doc ");
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P["Group1"]["subgroup1.2"].add_field("d", 1.8, "d is a double");
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P["Group1"]["subgroup1.2"]["d"] = 10.2;
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std::cout << P << std::endl;
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//std::cout << P["Group1"] << std::endl;
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// hdf5
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{
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h5::file 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::file file( "ess.h5", H5F_ACC_RDONLY );
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h5_read( file, "Parameters", P_vide);
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}
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std::cout << P_vide << std::endl;
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{
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h5::file file( "ess.h5", H5F_ACC_RDONLY );
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h5_read( file, "Parameters", P);
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}
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//std::cout << P << std::endl;
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}
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catch (triqs::runtime_error const & e) {
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std::cout<< " Caught "<< e.what() << std::endl ;
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}
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}
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