ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
Loading...
Searching...
No Matches
electrostatics/Actor.impl.hpp
Go to the documentation of this file.
1/*
2 * Copyright (C) 2022 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
20#pragma once
21
22#include "config/config.hpp"
23
24#ifdef ELECTROSTATICS
25
26#include "Actor.hpp"
27
30
32
33#include <cassert>
34#include <stdexcept>
35#include <string>
36
37namespace ScriptInterface {
38namespace Coulomb {
39
40template <class SIClass, class CoreClass> Actor<SIClass, CoreClass>::Actor() {
41 add_parameters({
42 {"prefactor", AutoParameter::read_only,
43 [this]() { return m_actor->prefactor; }},
44 {"check_neutrality",
45 [this](Variant const &value) {
46 auto const flag = get_value<bool>(value);
47 auto &tolerance = m_actor->charge_neutrality_tolerance;
48 if (flag) {
49 if (tolerance == -1.) {
50 tolerance = m_actor->charge_neutrality_tolerance_default;
51 }
52 } else {
53 tolerance = -1.;
54 }
55 },
56 [this]() {
57 auto const tolerance = m_actor->charge_neutrality_tolerance;
58 return Variant{tolerance != -1.};
59 }},
60 {"charge_neutrality_tolerance",
61 [this](Variant const &value) {
62 auto &tolerance = m_actor->charge_neutrality_tolerance;
63 if (is_none(value)) {
64 tolerance = -1.;
65 } else {
66 auto const new_tolerance = get_value<double>(value);
67 if (new_tolerance < 0.) {
68 if (context()->is_head_node()) {
69 throw std::domain_error(
70 "Parameter 'charge_neutrality_tolerance' must be >= 0");
71 }
72 throw Exception("");
73 }
74 tolerance = new_tolerance;
75 }
76 },
77 [this]() {
78 auto const tolerance = m_actor->charge_neutrality_tolerance;
79 if (tolerance == -1.) {
80 return make_variant(none);
81 }
82 return Variant{tolerance};
83 }},
84 });
85}
86
87template <class SIClass, class CoreClass>
89 VariantMap const &params) {
90 assert(params.empty());
91 if (name == "activate") {
92 context()->parallel_try_catch([this]() {
93 auto &system = get_system();
94 add_actor(context()->get_comm(), m_system.lock(),
95 system.coulomb.impl->solver, m_actor,
96 [&system]() { system.on_coulomb_change(); });
97 });
98 return {};
99 }
100 return {};
101}
102
103} // namespace Coulomb
104} // namespace ScriptInterface
105
106#endif // ELECTROSTATICS
Variant do_call_method(std::string const &name, VariantMap const &params) override
This file contains the defaults for ESPResSo.
std::unordered_map< std::string, Variant > VariantMap
Definition Variant.hpp:69
Variant make_variant(const T &x)
Make a Variant from argument.
Definition Variant.hpp:77
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
bool is_none(Variant const &v)
Definition Variant.hpp:115
constexpr const None none
None-"literal".
Definition Variant.hpp:50
void add_actor(boost::mpi::communicator const &comm, std::shared_ptr< System::System > const &system, std::optional< Variant > &active_actor, std::shared_ptr< T > const &actor, F &&on_actor_change)
static SteepestDescentParameters params
Currently active steepest descent instance.
static constexpr const ReadOnly read_only