mc_measure_set.hpp

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// Copyright (c) 2013-2018 Commissariat à l'énergie atomique et aux énergies alternatives (CEA)
// Copyright (c) 2013-2018 Centre national de la recherche scientifique (CNRS)
// Copyright (c) 2018-2022 Simons Foundation
//
// This program 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.
//
// This program 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 may obtain a copy of the License at
//     https://www.gnu.org/licenses/gpl-3.0.txt
//
// Authors: Michel Ferrero, Olivier Parcollet, Nils Wentzell

 
#pragma once
 
#include "./concepts.hpp"
#include "./mc_measure.hpp"
 
#include <fmt/format.h>
#include <h5/h5.hpp>
#include <mpi/communicator.hpp>
 
#include <cassert>
#include <complex>
#include <map>
#include <stdexcept>
#include <string>
#include <utility>
#include <vector>
 
namespace triqs::mc_tools {

  template <DoubleOrComplex MCSignType> class measure_set {
    public:
    using measure_map_t = std::map<std::string, measure<MCSignType>>;

    using measure_itr_t = measure_map_t::iterator;

    measure_set() = default;

    measure_set(measure_set const &) = delete;

    measure_set &operator=(measure_set const &) = delete;

    measure_set(measure_set &&) = default;

    measure_set &operator=(measure_set &&) = default;

    template <typename T>
      requires(MCMeasure<T, MCSignType>)
    measure_itr_t insert(T &&m, std::string name, bool enable_timer, bool enable_report) {
      if (has(name)) throw std::runtime_error(fmt::format("Error in measure_set: Measure with name {} already exists", name));
      return measures_.emplace(name, measure<MCSignType>{std::forward<T>(m), enable_timer, enable_report}).first;
    }

    void remove(measure_itr_t const &it) { measures_.erase(it); }

    void clear() { measures_.clear(); }

    [[nodiscard]] bool has(std::string const &name) const { return measures_.find(name) != measures_.end(); }

    [[nodiscard]] std::vector<std::string> names() const;

    void accumulate(MCSignType sign) {
      for (auto &[name, m] : measures_) m.accumulate(sign);
    }

    void collect_results(const mpi::communicator &c);

    [[nodiscard]] std::string report() const;

    [[nodiscard]] std::string get_timings(std::string const &prefix = "") const;

    [[nodiscard]] double total_duration() const {
      double total = 0.0;
      for (auto const &[name, m] : measures_) total += m.duration();
      return total;
    }

    [[nodiscard]] static std::string hdf5_format() { return "measure_set"; }

    friend void h5_write(h5::group g, std::string const &key, measure_set const &ms) {
      auto gr = g.create_group(key);
      h5::write_hdf5_format(gr, ms);
      for (auto const &[name, m] : ms.measures_) h5::write(gr, name, m);
    }

    friend void h5_read(h5::group g, std::string const &key, measure_set &ms) {
      auto gr = g.open_group(key);
      h5::assert_hdf5_format(gr, ms);
      for (auto &[name, m] : ms.measures_) h5::read(gr, name, m);
    }
 
    private:
    measure_map_t measures_;
  };
 
  // Explicit template instantiation declarations.
  extern template class measure_set<double>;
  extern template class measure_set<std::complex<double>>;
 
} // namespace triqs::mc_tools