ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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ParticleHandle.hpp
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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
25
26#include "core/Particle.hpp"
28
29#include <cassert>
30#include <functional>
31#include <memory>
32#include <string>
33
34namespace ScriptInterface {
35namespace CellSystem {
36class CellSystem;
37}
38namespace Particles {
39
40class ParticleHandle : public AutoParameters<ParticleHandle> {
41 std::function<Variant(VariantMap const &)> cb_get_bond;
42 int m_pid;
43 mutable std::weak_ptr<CellSystem::CellSystem> m_cell_structure;
44 mutable std::weak_ptr<Interactions::BondedInteractions> m_bonded_ias;
45 mutable std::weak_ptr<::System::System> m_system;
46 auto get_cell_structure() const {
47 auto ptr = m_cell_structure.lock();
48 assert(ptr != nullptr);
49 return ptr;
50 }
51 auto get_bonded_ias() const {
52 auto ptr = m_bonded_ias.lock();
53 assert(ptr != nullptr);
54 return ptr;
55 }
56 auto get_system() const {
57 auto ptr = m_system.lock();
58 assert(ptr != nullptr);
59 return ptr;
60 }
61
62 template <typename T>
63 T get_particle_property(T const &(Particle::*getter)() const) const;
64 template <typename T, class F> T get_particle_property(F const &fun) const;
65
66 template <typename T>
67 void set_particle_property(T &(Particle::*setter)(),
68 Variant const &value) const;
69
70 template <class F> void set_particle_property(F const &fun) const;
71#ifdef EXCLUSIONS
72 void particle_exclusion_sanity_checks(int pid1, int pid2) const;
73#endif // EXCLUSIONS
74
75public:
77
78 Variant do_call_method(std::string const &name,
79 VariantMap const &params) override;
80
81 void do_construct(VariantMap const &params) override;
82
83 void attach(std::weak_ptr<::System::System> system) {
84 assert(m_system.expired());
85 m_system = system;
86 }
87};
88
89} // namespace Particles
90} // namespace ScriptInterface
Bind parameters in the script interface.
boost::string_ref name() const
Variant do_call_method(std::string const &name, VariantMap const &params) override
void attach(std::weak_ptr<::System::System > system)
void do_construct(VariantMap const &params) override
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.
Struct holding all information for one particle.
Definition Particle.hpp:395