Chemical Data Processing Library C++ API - Version 1.1.1
MDLParity.hpp
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1 /*
2  * MDLParity.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_MDLPARITY_HPP
30 #define CDPL_CHEM_MDLPARITY_HPP
31 
32 
33 namespace CDPL
34 {
35 
36  namespace Chem
37  {
38 
42  namespace MDLParity
43  {
44 
48  const unsigned int UNDEF = 0;
49 
53  const unsigned int NONE = 0x1;
54 
58  const unsigned int ODD = 0x2;
59 
63  const unsigned int EVEN = 0x4;
64 
68  const unsigned int EITHER = 0x8;
69  } // namespace MDLParity
70  } // namespace Chem
71 } // namespace CDPL
72 
73 #endif // CDPL_CHEM_MDLPARITY_HPP
CDPL::Chem::MDLParity::EVEN
const unsigned int EVEN
Specifies that the atom has an even parity.
Definition: MDLParity.hpp:63
CDPL::Chem::MDLParity::EITHER
const unsigned int EITHER
Specifies that the atom is a stereogenic center but has no defined parity.
Definition: MDLParity.hpp:68
CDPL::Chem::MDLParity::ODD
const unsigned int ODD
Specifies that the atom has an odd parity.
Definition: MDLParity.hpp:58
CDPL::Chem::MDLParity::UNDEF
const unsigned int UNDEF
Specifies that the parity of the atom is undefined.
Definition: MDLParity.hpp:48
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::MDLParity::NONE
const unsigned int NONE
Specifies that the atom is not a stereogenic center and thus has no defined parity.
Definition: MDLParity.hpp:53