BALL 1.5.0
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staticLigandFragment.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4
5#ifndef BALL_DOCKING_COMMON_STATICLIGANDFRAGMENT
6#define BALL_DOCKING_COMMON_STATICLIGANDFRAGMENT
7
8#ifndef BALL_MATH_MATRIX44_H
10#endif
11
12#ifndef BALL_KERNEL_ATOM_H
13#include <BALL/KERNEL/atom.h>
14#endif
15
16namespace BALL
17{
19 {
20 public:
21 class Connection;
22
24 int ID;
25
27 list<Atom*> atoms;
28
29 vector<Connection> connections;
30
33
36
39
41 //void rotate(const Connection* rotation_bond, int degree, int static_fragment);
42
44 //void rotate(TMatrix4x4<float>& M, Vector3& origin, int static_fragment);
45
48 {
49 // /** the position of this connection within neighbor_connections */
50 //int ID;
51
54
57
58 StaticLigandFragment* fragment; // the neighboring fragment
59 };
60 };
61}
62
63#endif // BALL_DOCKING_COMMON_STATICLIGANDFRAGMENT
vector< Connection > connections
#define BALL_EXPORT