ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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shapes/include/shapes/Shape.hpp
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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#ifndef SHAPES_SHAPE_HPP
23#define SHAPES_SHAPE_HPP
24
25#include <utils/Vector.hpp>
26
27namespace Shapes {
28
29class Shape {
30public:
31 /**
32 * @brief Calculate the minimum distance and the corresponding
33 * distance vector between a given position and the shape.
34 * @param[in] pos Position for which to calculate the distance.
35 * @param[out] dist Minimum distance between @p pos and the shape. Value
36 * is negative when @c pos is inside the shape, zero if
37 * @c pos is on the shape surface or positive if @c pos
38 * is outside the shape.
39 * @param[out] vec Distance vector.
40 */
41 virtual void calculate_dist(const Utils::Vector3d &pos, double &dist,
42 Utils::Vector3d &vec) const = 0;
43 /**
44 * @brief Check whether the given point is inside the shape or not.
45 * For the edge case where the point is on the surface (zero distance),
46 * it is considered to be inside the shape.
47 * @param pos Position to check.
48 */
49 virtual bool is_inside(Utils::Vector3d const &pos) const {
51 double dist;
52 calculate_dist(pos, dist, vec);
53 return dist <= 0.0;
54 }
55 /**
56 * @brief Rasterize a shape on a regular grid.
57 * @param grid_size Number of grid points in every direction.
58 * @param grid_spacing Lattice distance.
59 * @param grid_offset Lattice offset.
60 * @return Flattened 3D matrix with 1's inside the shape and 0's outside.
61 */
62 std::vector<int> rasterize(Utils::Vector3i const &grid_size,
63 double grid_spacing, double grid_offset) const;
64 virtual ~Shape() = default;
65};
66
67} /* namespace Shapes */
68
69#endif
Vector implementation and trait types for boost qvm interoperability.
virtual ~Shape()=default
std::vector< int > rasterize(Utils::Vector3i const &grid_size, double grid_spacing, double grid_offset) const
Rasterize a shape on a regular grid.
Definition Shape.cpp:29
virtual bool is_inside(Utils::Vector3d const &pos) const
Check whether the given point is inside the shape or not.
virtual void calculate_dist(const Utils::Vector3d &pos, double &dist, Utils::Vector3d &vec) const =0
Calculate the minimum distance and the corresponding distance vector between a given position and the...