Chemical Data Processing Library C++ API - Version 1.1.1
SybylBondType.hpp
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1 /*
2  * SybylBondType.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_SYBYLBONDTYPE_HPP
30 #define CDPL_CHEM_SYBYLBONDTYPE_HPP
31 
32 
33 namespace CDPL
34 {
35 
36  namespace Chem
37  {
38 
42  namespace SybylBondType
43  {
44 
48  const unsigned int UNKNOWN = 0;
49 
53  const unsigned int SINGLE = 1;
54 
58  const unsigned int DOUBLE = 2;
59 
63  const unsigned int TRIPLE = 3;
64 
68  const unsigned int AROMATIC = 4;
69 
73  const unsigned int AMIDE = 5;
74 
78  const unsigned int DUMMY = 6;
79 
83  const unsigned int NOT_CONNECTED = 7;
84  } // namespace SybylBondType
85  } // namespace Chem
86 } // namespace CDPL
87 
88 #endif // CDPL_CHEM_SYBYLBONDTYPE_HPP
CDPL::Chem::SybylBondType::TRIPLE
const unsigned int TRIPLE
Specifies a triple bond.
Definition: SybylBondType.hpp:63
CDPL::Chem::SybylBondType::AMIDE
const unsigned int AMIDE
Specifies an amide bond.
Definition: SybylBondType.hpp:73
CDPL::Chem::SybylBondType::NOT_CONNECTED
const unsigned int NOT_CONNECTED
Specifies a pseudo bond.
Definition: SybylBondType.hpp:83
CDPL::Chem::SybylBondType::DUMMY
const unsigned int DUMMY
Specifies a dummy bond.
Definition: SybylBondType.hpp:78
CDPL::Chem::SybylBondType::SINGLE
const unsigned int SINGLE
Specifies a single bond.
Definition: SybylBondType.hpp:53
CDPL::Chem::SybylBondType::DOUBLE
const unsigned int DOUBLE
Specifies a double bond.
Definition: SybylBondType.hpp:58
CDPL::Chem::SybylBondType::UNKNOWN
const unsigned int UNKNOWN
Specifies an unknown bond (cannot be determined from the parameter tables).
Definition: SybylBondType.hpp:48
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::SybylBondType::AROMATIC
const unsigned int AROMATIC
Specifies an aromatic bond.
Definition: SybylBondType.hpp:68