Chemical Data Processing Library C++ API - Version 1.1.1
RECAPAtomLabel.hpp
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1 /*
2  * RECAPAtomLabel.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_RECAPATOMLABEL_HPP
30 #define CDPL_CHEM_RECAPATOMLABEL_HPP
31 
32 
33 namespace CDPL
34 {
35 
36  namespace Chem
37  {
38 
43  namespace RECAPAtomLabel
44  {
45 
46  const unsigned int NONE = 0;
47  const unsigned int AMIDE_N = 1;
48  const unsigned int AMIDE_C = 2;
49  const unsigned int ESTER_O = 3;
50  const unsigned int ESTER_C = 4;
51  const unsigned int AMINE_N = 5;
52  const unsigned int AMINE_C = 6;
53  const unsigned int UREA_N = 7;
54  const unsigned int UREA_C = 8;
55  const unsigned int ETHER_O = 9;
56  const unsigned int ETHER_C = 10;
57  const unsigned int OLEFIN_C = 11;
58  const unsigned int QUARTERNARY_N_N = 12;
59  const unsigned int QUARTERNARY_N_C = 13;
60  const unsigned int AROMATIC_N_ALIPHATIC_C_N = 14;
61  const unsigned int AROMATIC_N_ALIPHATIC_C_C = 15;
62  const unsigned int LACTAM_N_ALIPHATIC_C_N = 16;
63  const unsigned int LACTAM_N_ALIPHATIC_C_C = 17;
64  const unsigned int AROMATIC_C_AROMATIC_C_C = 18;
65  const unsigned int SULFONAMIDE_N = 19;
66  const unsigned int SULFONAMIDE_S = 20;
67  } // namespace RECAPAtomLabel
68  } // namespace Chem
69 } // namespace CDPL
70 
71 #endif // CDPL_CHEM_RECAPATOMLABEL_HPP
CDPL::Chem::RECAPAtomLabel::AMINE_N
const unsigned int AMINE_N
Definition: RECAPAtomLabel.hpp:51
CDPL::Chem::RECAPAtomLabel::SULFONAMIDE_S
const unsigned int SULFONAMIDE_S
Definition: RECAPAtomLabel.hpp:66
CDPL::Chem::RECAPAtomLabel::UREA_N
const unsigned int UREA_N
Definition: RECAPAtomLabel.hpp:53
CDPL::Chem::RECAPAtomLabel::AMINE_C
const unsigned int AMINE_C
Definition: RECAPAtomLabel.hpp:52
CDPL::Chem::RECAPAtomLabel::OLEFIN_C
const unsigned int OLEFIN_C
Definition: RECAPAtomLabel.hpp:57
CDPL::Chem::RECAPAtomLabel::NONE
const unsigned int NONE
Definition: RECAPAtomLabel.hpp:46
CDPL::Chem::RECAPAtomLabel::UREA_C
const unsigned int UREA_C
Definition: RECAPAtomLabel.hpp:54
CDPL::Chem::RECAPAtomLabel::QUARTERNARY_N_C
const unsigned int QUARTERNARY_N_C
Definition: RECAPAtomLabel.hpp:59
CDPL::Chem::RECAPAtomLabel::ESTER_O
const unsigned int ESTER_O
Definition: RECAPAtomLabel.hpp:49
CDPL::Chem::RECAPAtomLabel::AROMATIC_C_AROMATIC_C_C
const unsigned int AROMATIC_C_AROMATIC_C_C
Definition: RECAPAtomLabel.hpp:64
CDPL::Chem::RECAPAtomLabel::ESTER_C
const unsigned int ESTER_C
Definition: RECAPAtomLabel.hpp:50
CDPL::Chem::RECAPAtomLabel::AROMATIC_N_ALIPHATIC_C_C
const unsigned int AROMATIC_N_ALIPHATIC_C_C
Definition: RECAPAtomLabel.hpp:61
CDPL::Chem::RECAPAtomLabel::AMIDE_N
const unsigned int AMIDE_N
Definition: RECAPAtomLabel.hpp:47
CDPL::Chem::RECAPAtomLabel::LACTAM_N_ALIPHATIC_C_C
const unsigned int LACTAM_N_ALIPHATIC_C_C
Definition: RECAPAtomLabel.hpp:63
CDPL::Chem::RECAPAtomLabel::ETHER_C
const unsigned int ETHER_C
Definition: RECAPAtomLabel.hpp:56
CDPL::Chem::RECAPAtomLabel::AROMATIC_N_ALIPHATIC_C_N
const unsigned int AROMATIC_N_ALIPHATIC_C_N
Definition: RECAPAtomLabel.hpp:60
CDPL::Chem::RECAPAtomLabel::AMIDE_C
const unsigned int AMIDE_C
Definition: RECAPAtomLabel.hpp:48
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::RECAPAtomLabel::QUARTERNARY_N_N
const unsigned int QUARTERNARY_N_N
Definition: RECAPAtomLabel.hpp:58
CDPL::Chem::RECAPAtomLabel::LACTAM_N_ALIPHATIC_C_N
const unsigned int LACTAM_N_ALIPHATIC_C_N
Definition: RECAPAtomLabel.hpp:62
CDPL::Chem::RECAPAtomLabel::SULFONAMIDE_N
const unsigned int SULFONAMIDE_N
Definition: RECAPAtomLabel.hpp:65
CDPL::Chem::RECAPAtomLabel::ETHER_O
const unsigned int ETHER_O
Definition: RECAPAtomLabel.hpp:55