Chemical Data Processing Library C++ API - Version 1.1.1
RadicalType.hpp
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1 /*
2  * RadicalType.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_RADICALTYPE_HPP
30 #define CDPL_CHEM_RADICALTYPE_HPP
31 
32 
33 namespace CDPL
34 {
35 
36  namespace Chem
37  {
38 
42  namespace RadicalType
43  {
44 
48  const unsigned int NOT_RADICALIC = 0;
49 
56  const unsigned int SINGLET = 1;
57 
63  const unsigned int DOUBLET = 2;
64 
71  const unsigned int TRIPLET = 3;
72  } // namespace RadicalType
73  } // namespace Chem
74 } // namespace CDPL
75 
76 #endif // CDPL_CHEM_RADICALTYPE_HPP
CDPL::Chem::RadicalType::DOUBLET
const unsigned int DOUBLET
Specifies that the atom is a doublet radical.
Definition: RadicalType.hpp:63
CDPL::Chem::RadicalType::TRIPLET
const unsigned int TRIPLET
Specifies that the atom is a triplet diradical.
Definition: RadicalType.hpp:71
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::RadicalType::SINGLET
const unsigned int SINGLET
Specifies that the atom is a singlet diradical.
Definition: RadicalType.hpp:56
CDPL::Chem::RadicalType::NOT_RADICALIC
const unsigned int NOT_RADICALIC
Specifies that the atom is not a radical.
Definition: RadicalType.hpp:48