ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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ScafacosContext.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
24/**
25 * @file
26 * @ref ScafacosContext implements the interface of the ScaFaCoS bridge.
27 * It is further derived for the coulombic and dipolar versions of ScaFaCoS.
28 */
29
30#include "config/config.hpp"
31
32#if defined(SCAFACOS) or defined(SCAFACOS_DIPOLES)
33
35
36#include <cstddef>
37#include <string>
38#include <tuple>
39
40namespace detail {
41std::tuple<Utils::Vector3d const &, Utils::Vector3i, std::size_t>
42get_system_params();
43}
44
45template <class ScafacosInterface>
46struct ScafacosContext : virtual public ScafacosContextBase,
47 public ScafacosInterface {
49 using ScafacosInterface::ScafacosInterface;
50
51 void update_system_params() override {
52 auto params = detail::get_system_params();
53 ScafacosInterface::set_runtime_parameters(
54 std::get<0>(params).data(), std::get<1>(params).data(),
55 static_cast<int>(std::get<2>(params)));
56 }
57
58 std::string get_method() const override {
59 return ScafacosInterface::get_method();
60 }
61
62 std::string get_parameters() const override {
63 return ScafacosInterface::get_parameters();
64 }
65};
66
67#endif // SCAFACOS or SCAFACOS_DIPOLES
ScafacosContextBase provides the public interface of the ScaFaCoS bridge.
This file contains the defaults for ESPResSo.
static SteepestDescentParameters params
Currently active steepest descent instance.
Public interface to the ScaFaCoS context.
ScafacosContextBase()=default
void update_system_params() override
std::string get_method() const override
std::string get_parameters() const override