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ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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h5md.hpp
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1/*
2 * Copyright (C) 2010-2025 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 *
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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 *
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19 * along with this program. If not, see <http://www.gnu.org/licenses/>.
20 */
21
22#pragma once
23
24#include "config/config.hpp"
25
26#ifdef H5MD
27
30
31#include <boost/mpi/environment.hpp>
32
33#include <memory>
34#include <string>
35#include <vector>
36
37namespace Writer::H5md {
38class File;
39} // namespace Writer::H5md
40
41namespace ScriptInterface {
42namespace Writer {
43
44class H5md : public AutoParameters<H5md> {
45public:
46 H5md();
47
48 Variant do_call_method(const std::string &name,
49 const VariantMap &parameters) override;
50
51 void do_construct(VariantMap const &params) override;
52
53 ~H5md() override;
54
55private:
56 std::shared_ptr<boost::mpi::environment> m_mpi_env_lock;
57 std::shared_ptr<::Writer::H5md::File> m_h5md;
58 std::vector<std::string> m_output_fields;
59};
60
61} // namespace Writer
62} // namespace ScriptInterface
63
64#endif // H5MD
Bind parameters in the script interface.
boost::string_ref name() const
void do_construct(VariantMap const &params) override
Definition h5md.cpp:56
Variant do_call_method(const std::string &name, const VariantMap &parameters) override
Definition h5md.cpp:75
This file contains the defaults for ESPResSo.
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
static SteepestDescentParameters params
Currently active steepest descent instance.