Pteros  2.0
Molecular modeling library for human beings!
distance_search_within_sel.h
1 /*
2  * This file is a part of
3  *
4  * ============================================
5  * ### Pteros molecular modeling library ###
6  * ============================================
7  *
8  * https://github.com/yesint/pteros
9  *
10  * (C) 2009-2021, Semen Yesylevskyy
11  *
12  * All works, which use Pteros, should cite the following papers:
13  *
14  * 1. Semen O. Yesylevskyy, "Pteros 2.0: Evolution of the fast parallel
15  * molecular analysis library for C++ and python",
16  * Journal of Computational Chemistry, 2015, 36(19), 1480–1488.
17  * doi: 10.1002/jcc.23943.
18  *
19  * 2. Semen O. Yesylevskyy, "Pteros: Fast and easy to use open-source C++
20  * library for molecular analysis",
21  * Journal of Computational Chemistry, 2012, 33(19), 1632–1636.
22  * doi: 10.1002/jcc.22989.
23  *
24  * This is free software distributed under Artistic License:
25  * http://www.opensource.org/licenses/artistic-license-2.0.php
26  *
27 */
28 
29 
30 #pragma once
31 
32 #include "distance_search_within_base.h"
33 
34 namespace pteros {
35 
36 
37 class DistanceSearchWithinSel: public DistanceSearchWithinBase {
38 public:
44  DistanceSearchWithinSel(float d,
45  const Selection& src,
46  const Selection& target,
47  std::vector<int> &res,
48  bool include_self=true,
49  Vector3i_const_ref pbc = noPBC);
50 };
51 
52 }
53 
54 
55 
56