ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
Loading...
Searching...
No Matches
core/collision_detection/BindCenters.hpp
Go to the documentation of this file.
1/*
2 * Copyright (C) 2011-2024 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 COLLISION_DETECTION
25
26#include "CollisionPair.hpp"
27#include "common.hpp"
28
29#include "Particle.hpp"
30#include "system/System.hpp"
31
32#include <vector>
33
34namespace CollisionDetection {
35
37public:
38 /// Distance at which particle are bound
39 double distance;
40 /// Square of distance at which particle are bound
42 /// bond type used between centers of colliding particles
44
48
49 void initialize(System::System &system);
50
51 auto cutoff() const { return distance; }
52
54 std::vector<CollisionPair> &local_collision_queue);
55
56 bool detect_collision(Particle const &p1, Particle const &p2,
57 double const dist_sq) const {
58 if (dist_sq > distance_sq)
59 return false;
60
62 }
63};
64
65} // namespace CollisionDetection
66#endif // COLLISION_DETECTION
bool detect_collision(Particle const &p1, Particle const &p2, double const dist_sq) const
double distance_sq
Square of distance at which particle are bound.
void handle_collisions(System::System &system, std::vector< CollisionPair > &local_collision_queue)
void initialize(System::System &system)
int bond_centers
bond type used between centers of colliding particles
double distance
Distance at which particle are bound.
Main system class.
This file contains the defaults for ESPResSo.
auto detect_collision_common(Particle const &p1, Particle const &p2, int const bond_centers)
Common functions for dipolar and charge P3M.
Struct holding all information for one particle.
Definition Particle.hpp:395