ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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Sphere.cpp
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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#include <shapes/Sphere.hpp>
23
24#include <utils/Vector.hpp>
25
26namespace Shapes {
27void Sphere::calculate_dist(const Utils::Vector3d &pos, double &dist,
28 Utils::Vector3d &vec) const {
29 vec = m_pos - pos;
30 auto const c_dist = vec.norm();
31
32 if (m_direction == -1) {
33 /* apply force towards inside the sphere */
34 dist = m_rad - c_dist;
35 if (c_dist == 0) {
36 // any vector of length `dist` is correct in this case
37 vec = Utils::Vector3d{dist, 0, 0};
38 } else {
39 auto const fac = dist / c_dist;
40 vec *= fac;
41 }
42 } else {
43 /* apply force towards outside the sphere */
44 dist = c_dist - m_rad;
45 if (c_dist == 0) {
46 // any vector of length `dist` is correct in this case
47 vec = Utils::Vector3d{dist, 0, 0};
48 } else {
49 auto const fac = dist / c_dist;
50 vec *= -fac;
51 }
52 }
53}
54} // namespace Shapes
Vector implementation and trait types for boost qvm interoperability.
void calculate_dist(const Utils::Vector3d &pos, double &dist, Utils::Vector3d &vec) const override
Definition Sphere.cpp:27
T norm() const
Definition Vector.hpp:138