ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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script_interface/mpiio/mpiio.hpp
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1/*
2 * Copyright (C) 2010-2022 The ESPResSo project
3 * Copyright (C) 2002,2003,2004,2005,2006,2007,2008,2009,2010
4 * Max-Planck-Institute for Polymer Research, Theory Group
5 *
6 * This file is part of ESPResSo.
7 *
8 * ESPResSo is free software: you can redistribute it and/or modify
9 * it under the terms of the GNU General Public License as published by
10 * the Free Software Foundation, either version 3 of the License, or
11 * (at your option) any later version.
12 *
13 * ESPResSo is distributed in the hope that it will be useful,
14 * but WITHOUT ANY WARRANTY; without even the implied warranty of
15 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
16 * GNU General Public License for more details.
17 *
18 * You should have received a copy of the GNU General Public License
19 * along with this program. If not, see <http://www.gnu.org/licenses/>.
20 */
21
22#pragma once
23
28
33
34#include <memory>
35#include <string>
36
37namespace ScriptInterface {
38namespace MPIIO {
39
40class MPIIOScript : public ObjectHandle {
41 std::weak_ptr<System::System> m_system;
42 std::shared_ptr<Mpiio::write_buffers> m_buffers;
43
44public:
45 void do_construct(VariantMap const &parameters) override {
47 m_buffers = std::make_shared<Mpiio::write_buffers>();
48 }
49
50 Variant do_call_method(std::string const &name,
51 VariantMap const &parameters) override {
52
53 auto prefix = get_value<std::string>(parameters.at("prefix"));
54 auto pos = get_value<bool>(parameters.at("pos"));
55 auto vel = get_value<bool>(parameters.at("vel"));
56 auto typ = get_value<bool>(parameters.at("typ"));
57 auto bnd = get_value<bool>(parameters.at("bond"));
58
59 auto const fields = ((pos) ? Mpiio::MPIIO_OUT_POS : Mpiio::MPIIO_OUT_NON) |
63
64 if (name == "write") {
65 auto const system_si = m_system.lock();
66 auto &system = system_si->get_system();
67 auto &cell_structure = *system.cell_structure;
68 auto &bonded_ias = *system.bonded_ias;
69 Mpiio::mpi_mpiio_common_write(prefix, fields, bonded_ias,
70 cell_structure.local_particles(),
71 *m_buffers);
72 } else if (name == "read") {
73 auto const system_si = m_system.lock();
74 auto &system = system_si->get_system();
75 auto &cell_structure = *system.cell_structure;
76 Mpiio::mpi_mpiio_common_read(prefix, fields, cell_structure);
77 }
78
79 return {};
80 }
81};
82
83} // namespace MPIIO
84} // namespace ScriptInterface
Data structures for bonded interactions.
void do_construct(VariantMap const &parameters) override
Variant do_call_method(std::string const &name, VariantMap const &parameters) override
Base class for interface handles.
boost::string_ref name() const
Implements binary output using MPI-IO.
void mpi_mpiio_common_write(std::string const &prefix, unsigned fields, BondedInteractionsMap const &bonded_ias, ParticleRange const &particles, write_buffers &buffers)
Parallel binary output using MPI-IO.
Definition mpiio.cpp:214
void mpi_mpiio_common_read(const std::string &prefix, unsigned fields, CellStructure &cell_structure)
Parallel binary input using MPI-IO.
Definition mpiio.cpp:406
T get_value(Variant const &v)
Extract value of specific type T from a Variant.
std::unordered_map< std::string, Variant > VariantMap
Definition Variant.hpp:69
boost::make_recursive_variant< None, bool, int, std::size_t, double, std::string, ObjectRef, Utils::Vector3b, Utils::Vector3i, Utils::Vector2d, Utils::Vector3d, Utils::Vector4d, std::vector< int >, std::vector< double >, std::vector< boost::recursive_variant_ >, std::unordered_map< int, boost::recursive_variant_ >, std::unordered_map< std::string, boost::recursive_variant_ > >::type Variant
Possible types for parameters.
Definition Variant.hpp:67