Chemical Data Processing Library C++ API - Version 1.4.0
BRICSAtomLabel.hpp
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1 /*
2  * BRICSAtomLabel.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_BRICSATOMLABEL_HPP
30 #define CDPL_CHEM_BRICSATOMLABEL_HPP
31 
32 
33 namespace CDPL
34 {
35 
36  namespace Chem
37  {
38 
43  namespace BRICSAtomLabel
44  {
45 
47  constexpr unsigned int NONE = 0;
49  constexpr unsigned int L1 = 1;
51  constexpr unsigned int L2 = 2;
53  constexpr unsigned int L3 = 3;
55  constexpr unsigned int L4 = 4;
57  constexpr unsigned int L5 = 5;
59  constexpr unsigned int L6 = 6;
61  constexpr unsigned int L7 = 7;
63  constexpr unsigned int L8 = 8;
65  constexpr unsigned int L9 = 9;
67  constexpr unsigned int L10 = 10;
69  constexpr unsigned int L11 = 11;
71  constexpr unsigned int L12 = 12;
73  constexpr unsigned int L13 = 13;
75  constexpr unsigned int L14 = 14;
77  constexpr unsigned int L15 = 15;
79  constexpr unsigned int L16 = 16;
80  } // namespace BRICSAtomLabel
81  } // namespace Chem
82 } // namespace CDPL
83 
84 #endif // CDPL_CHEM_BRICSATOMLABEL_HPP
constexpr unsigned int L15
Specifies the BRICS atom label L15.
Definition: BRICSAtomLabel.hpp:77
constexpr unsigned int NONE
Specifies that the atom carries no BRICS label.
Definition: BRICSAtomLabel.hpp:47
constexpr unsigned int L3
Specifies the BRICS atom label L3.
Definition: BRICSAtomLabel.hpp:53
constexpr unsigned int L5
Specifies the BRICS atom label L5.
Definition: BRICSAtomLabel.hpp:57
constexpr unsigned int L2
Specifies the BRICS atom label L2.
Definition: BRICSAtomLabel.hpp:51
constexpr unsigned int L7
Specifies the BRICS atom label L7.
Definition: BRICSAtomLabel.hpp:61
constexpr unsigned int L6
Specifies the BRICS atom label L6.
Definition: BRICSAtomLabel.hpp:59
constexpr unsigned int L10
Specifies the BRICS atom label L10.
Definition: BRICSAtomLabel.hpp:67
constexpr unsigned int L14
Specifies the BRICS atom label L14.
Definition: BRICSAtomLabel.hpp:75
constexpr unsigned int L4
Specifies the BRICS atom label L4.
Definition: BRICSAtomLabel.hpp:55
constexpr unsigned int L13
Specifies the BRICS atom label L13.
Definition: BRICSAtomLabel.hpp:73
constexpr unsigned int L11
Specifies the BRICS atom label L11.
Definition: BRICSAtomLabel.hpp:69
constexpr unsigned int L8
Specifies the BRICS atom label L8.
Definition: BRICSAtomLabel.hpp:63
constexpr unsigned int L12
Specifies the BRICS atom label L12.
Definition: BRICSAtomLabel.hpp:71
constexpr unsigned int L9
Specifies the BRICS atom label L9.
Definition: BRICSAtomLabel.hpp:65
constexpr unsigned int L1
Specifies the BRICS atom label L1.
Definition: BRICSAtomLabel.hpp:49
constexpr unsigned int L16
Specifies the BRICS atom label L16.
Definition: BRICSAtomLabel.hpp:79
The namespace of the Chemical Data Processing Library.