ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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AutoUpdateAccumulators.cpp
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1/*
2 * Copyright (C) 2016-2024 The ESPResSo project
3 *
4 * This file is part of ESPResSo.
5 *
6 * ESPResSo is free software: you can redistribute it and/or modify
7 * it under the terms of the GNU General Public License as published by
8 * the Free Software Foundation, either version 3 of the License, or
9 * (at your option) any later version.
10 *
11 * ESPResSo is distributed in the hope that it will be useful,
12 * but WITHOUT ANY WARRANTY; without even the implied warranty of
13 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
14 * GNU General Public License for more details.
15 *
16 * You should have received a copy of the GNU General Public License
17 * along with this program. If not, see <http://www.gnu.org/licenses/>.
18 */
19
21
22#include <boost/mpi/communicator.hpp>
23
24#include <algorithm>
25#include <cassert>
26#include <limits>
27#include <numeric>
28#include <vector>
29
30namespace Accumulators {
31
32void AutoUpdateAccumulators::operator()(boost::mpi::communicator const &comm,
33 int steps) {
34 for (auto &acc : m_accumulators) {
35 assert(steps <= acc.frequency);
36 acc.counter -= steps;
37 if (acc.counter <= 0) {
38 acc.acc->update(comm);
39 acc.counter = acc.frequency;
40 }
41
42 assert(acc.counter > 0);
43 }
44}
45
47 return std::accumulate(m_accumulators.begin(), m_accumulators.end(),
48 std::numeric_limits<int>::max(),
49 [](int a, AutoUpdateAccumulator const &acc) {
50 return std::min(a, acc.counter);
51 });
52}
53
54namespace detail {
55struct MatchPredicate {
56 AccumulatorBase const *m_acc;
57 template <typename T> bool operator()(T const &a) const {
58 return a.acc == m_acc;
59 }
60};
61} // namespace detail
62
64 assert(not contains(acc));
65 auto const *this_system = &get_system();
66 if (acc->has_same_system_handle(nullptr)) {
67 acc->override_system_handle(this_system);
68 } else if (not acc->has_same_system_handle(this_system)) {
69 throw std::runtime_error("This accumulator is bound to another system");
70 }
71 m_accumulators.emplace_back(acc);
72}
73
75 assert(contains(acc));
76 std::erase_if(m_accumulators, detail::MatchPredicate{acc});
77}
78
80 assert(acc);
81 return std::ranges::any_of(m_accumulators, detail::MatchPredicate{acc});
82}
83
84} // namespace Accumulators
void override_system_handle(::System::System const *system)
bool has_same_system_handle(::System::System const *system) const
bool contains(AccumulatorBase const *) const
void operator()(boost::mpi::communicator const &comm, int steps)
Update accumulators.