Chemical Data Processing Library C++ API - Version 1.0.0
AtomConfiguration.hpp
Go to the documentation of this file.
1 /*
2  * AtomConfiguration.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_CHEM_ATOMCONFIGURATION_HPP
30 #define CDPL_CHEM_ATOMCONFIGURATION_HPP
31 
32 
33 namespace CDPL
34 {
35 
36  namespace Chem
37  {
38 
42  namespace AtomConfiguration
43  {
44 
48  const unsigned int UNDEF = 0;
49 
54  const unsigned int NONE = 0x1;
55 
59  const unsigned int R = 0x2;
60 
64  const unsigned int S = 0x4;
65 
69  const unsigned int EITHER = 0x8;
70  } // namespace AtomConfiguration
71  } // namespace Chem
72 } // namespace CDPL
73 
74 #endif // CDPL_CHEM_ATOMCONFIGURATION_HPP
CDPL::Chem::AtomConfiguration::EITHER
const unsigned int EITHER
Specifies that the atom is a stereogenic center but has no defined configuration.
Definition: AtomConfiguration.hpp:69
CDPL::Chem::AtomConfiguration::R
const unsigned int R
Specifies that the atom has R configuration.
Definition: AtomConfiguration.hpp:59
CDPL::Chem::AtomConfiguration::S
const unsigned int S
Specifies that the atom has S configuration.
Definition: AtomConfiguration.hpp:64
CDPL::Chem::AtomConfiguration::UNDEF
const unsigned int UNDEF
Specifies that the configuration of the atom is undefined.
Definition: AtomConfiguration.hpp:48
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::AtomConfiguration::NONE
const unsigned int NONE
Specifies that the atom is not a stereogenic center and thus cannot be assigned a configuration.
Definition: AtomConfiguration.hpp:54