ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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core/collision_detection/CollisionDetection.hpp
Go to the documentation of this file.
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/*
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* Copyright (C) 2011-2024 The ESPResSo project
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*
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* This file is part of ESPResSo.
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*
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* ESPResSo is free software: you can redistribute it and/or modify
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* it under the terms of the GNU General Public License as published by
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* the Free Software Foundation, either version 3 of the License, or
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* (at your option) any later version.
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*
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* ESPResSo is distributed in the hope that it will be useful,
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* but WITHOUT ANY WARRANTY; without even the implied warranty of
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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* GNU General Public License for more details.
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*
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* You should have received a copy of the GNU General Public License
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* along with this program. If not, see <http://www.gnu.org/licenses/>.
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*/
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#pragma once
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#include <
config/config.hpp
>
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#ifdef COLLISION_DETECTION
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#include "
ActiveProtocol.hpp
"
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#include "
CollisionPair.hpp
"
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#include "
Particle.hpp
"
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#include "system/Leaf.hpp"
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#include <memory>
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#include <utility>
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#include <variant>
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#include <vector>
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namespace
CollisionDetection
{
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class
CollisionDetection
:
public
System::Leaf
<CollisionDetection> {
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std::shared_ptr<ActiveProtocol> m_protocol;
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public
:
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CollisionDetection
() =
default
;
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/** @brief Get currently active collision protocol. */
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auto
get_protocol
()
const
{
return
m_protocol; }
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/** @brief Set a new collision protocol. */
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void
set_protocol(std::shared_ptr<ActiveProtocol> protocol);
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/** @brief Delete the currently active collision protocol. */
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void
unset_protocol();
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/** @brief Validate parameters and create particle types if needed. */
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void
initialize();
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auto
is_off
()
const
{
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return
m_protocol ==
nullptr
or std::holds_alternative<Off>(*m_protocol);
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}
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auto
cutoff
()
const
{
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if
(m_protocol ==
nullptr
) {
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return
INACTIVE_CUTOFF
;
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}
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return
std::visit([](
auto
const
&protocol) {
return
protocol.cutoff(); },
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*m_protocol);
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}
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/// Handle queued collisions
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void
handle_collisions();
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void
clear_queue
() { local_collision_queue.clear(); }
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/** @brief Detect (and queue) a collision between the given particles. */
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void
detect_collision
(
Particle
const
&p1,
Particle
const
&p2,
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double
const
dist_sq) {
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if
(m_protocol) {
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bool
collision_detected = std::visit(
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[&p1, &p2, dist_sq](
auto
const
&protocol) {
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return
protocol.detect_collision(p1, p2, dist_sq);
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},
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*m_protocol);
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if
(collision_detected) {
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local_collision_queue.emplace_back(p1.
id
(), p2.
id
());
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}
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}
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}
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/// During force calculation, colliding particles are recorded in the queue.
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/// The queue is processed after force calculation, when it is safe to add
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/// particles.
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std::vector<CollisionPair>
local_collision_queue
;
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};
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}
// namespace CollisionDetection
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#endif
// COLLISION_DETECTION
ActiveProtocol.hpp
CollisionPair.hpp
Particle.hpp
CollisionDetection::CollisionDetection::is_off
auto is_off() const
Definition
core/collision_detection/CollisionDetection.hpp:53
CollisionDetection::CollisionDetection::clear_queue
void clear_queue()
Definition
core/collision_detection/CollisionDetection.hpp:68
CollisionDetection::CollisionDetection::get_protocol
auto get_protocol() const
Get currently active collision protocol.
Definition
core/collision_detection/CollisionDetection.hpp:45
CollisionDetection::CollisionDetection::cutoff
auto cutoff() const
Definition
core/collision_detection/CollisionDetection.hpp:57
CollisionDetection::CollisionDetection::CollisionDetection
CollisionDetection()=default
CollisionDetection::CollisionDetection::detect_collision
void detect_collision(Particle const &p1, Particle const &p2, double const dist_sq)
Detect (and queue) a collision between the given particles.
Definition
core/collision_detection/CollisionDetection.hpp:71
CollisionDetection::CollisionDetection::local_collision_queue
std::vector< CollisionPair > local_collision_queue
During force calculation, colliding particles are recorded in the queue. The queue is processed after...
Definition
core/collision_detection/CollisionDetection.hpp:88
System::Leaf
Abstract class that represents a component of the system.
Definition
core/system/Leaf.hpp:34
config.hpp
This file contains the defaults for ESPResSo.
CollisionDetection
Definition
ActiveProtocol.hpp:33
INACTIVE_CUTOFF
constexpr double INACTIVE_CUTOFF
Cutoff for deactivated interactions.
Definition
nonbonded_interaction_data.hpp:44
Particle
Struct holding all information for one particle.
Definition
Particle.hpp:395
Particle::id
auto const & id() const
Definition
Particle.hpp:414
src
core
collision_detection
CollisionDetection.hpp
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