Pteros  2.0
Molecular modeling library for human beings!
babel_utils.h
1 /*
2  *
3  * This source code is part of
4  * ******************
5  * *** Pteros ***
6  * ******************
7  * molecular modeling library
8  *
9  * Copyright (c) 2009-2021, Semen Yesylevskyy
10  *
11  * This program is free software; you can redistribute it and/or
12  * modify it under the terms of Artistic License:
13  *
14  * Please note, that Artistic License is slightly more restrictive
15  * then GPL license in terms of distributing the modified versions
16  * of this software (they should be approved first).
17  * Read http://www.opensource.org/licenses/artistic-license-2.0.php
18  * for details. Such license fits scientific software better then
19  * GPL because it prevents the distribution of bugged derivatives.
20  *
21 */
22 
23 
24 #pragma once
25 
26 #include <openbabel/mol.h>
27 #include <openbabel/obiter.h>
28 #include "pteros/core/selection.h"
29 
30 namespace pteros {
31 
33 void selection_to_obmol(const Selection& sel, OpenBabel::OBMol &mol, bool babel_bonds = true);
34 
35 }