File: CarveHelper.h

package info (click to toggle)
pymol 3.1.0%2Bdfsg-1
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid, trixie
  • size: 74,084 kB
  • sloc: cpp: 482,660; python: 89,328; ansic: 29,512; javascript: 6,792; sh: 84; makefile: 25
file content (35 lines) | stat: -rw-r--r-- 707 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
/**
 * @file
 * Isosurface carving
 *
 * (c) 2020 Schrodinger, Inc.
 */

#pragma once

#include <cstddef>
#include <memory>

struct PyMOLGlobals;
struct MapType;

/**
 * Data structure for "carving" isosurfaces around a set of vertices.
 */
class CarveHelper
{
  std::unique_ptr<MapType> m_voxelmap;
  const float* m_vertices;
  float m_cutoff;
  bool m_avoid_flag = false;

  bool is_within(const float* v) const;

public:
  CarveHelper(PyMOLGlobals* G, float cutoff, const float* vertices,
      std::size_t n_vertices);

  bool is_excluded(const float* v0) const;
  bool is_excluded(const float* v0, const float* v1) const;
  bool is_excluded(const float* v0, const float* v1, const float* v2) const;
};