Chemical Data Processing Library C++ API - Version 1.4.0
StructureGenerationMode.hpp
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1 /*
2  * StructureGenerationMode.hpp
3  *
4  * This file is part of the Chemical Data Processing Toolkit
5  *
6  * Copyright (C) 2003 Thomas Seidel <thomas.seidel@univie.ac.at>
7  *
8  * This library is free software; you can redistribute it and/or
9  * modify it under the terms of the GNU Lesser General Public
10  * License as published by the Free Software Foundation; either
11  * version 2 of the License, or (at your option) any later version.
12  *
13  * This library 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 GNU
16  * Lesser General Public License for more details.
17  *
18  * You should have received a copy of the GNU Lesser General Public License
19  * along with this library; see the file COPYING. If not, write to
20  * the Free Software Foundation, Inc., 59 Temple Place - Suite 330,
21  * Boston, MA 02111-1307, USA.
22  */
23 
29 #ifndef CDPL_CONFGEN_STRUCTUREGENERATIONMODE_HPP
30 #define CDPL_CONFGEN_STRUCTUREGENERATIONMODE_HPP
31 
32 
33 namespace CDPL
34 {
35 
36  namespace ConfGen
37  {
38 
42  namespace StructureGenerationMode
43  {
44 
48  constexpr unsigned int AUTO = 0;
49 
53  constexpr unsigned int FRAGMENT = 1;
54 
59  constexpr unsigned int DISTANCE_GEOMETRY = 2;
60  } // namespace StructureGenerationMode
61  } // namespace ConfGen
62 } // namespace CDPL
63 
64 #endif // CDPL_CONFGEN_STRUCTUREGENERATIONMODE_HPP
constexpr unsigned int FRAGMENT
Specifies to perform structure generation by assembly of pre-built fragment conformers.
Definition: StructureGenerationMode.hpp:53
constexpr unsigned int DISTANCE_GEOMETRY
Specifies to perform structure generation by a combination of distance geometry-based raw coordinates...
Definition: StructureGenerationMode.hpp:59
constexpr unsigned int AUTO
Specifies to select the structure generation strategy heuristically based on characteristics of the i...
Definition: StructureGenerationMode.hpp:48
The namespace of the Chemical Data Processing Library.