Chemical Data Processing Library C++ API - Version 1.4.0
RECAPRuleID.hpp
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1 /*
2  * RECAPRuleID.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_RECAPRULEID_HPP
30 #define CDPL_CHEM_RECAPRULEID_HPP
31 
32 
33 namespace CDPL
34 {
35 
36  namespace Chem
37  {
38 
43  namespace RECAPRuleID
44  {
45 
47  constexpr unsigned int NONE = 0;
49  constexpr unsigned int AMIDE = 1;
51  constexpr unsigned int ESTER = 2;
53  constexpr unsigned int AMINE = 3;
55  constexpr unsigned int UREA = 4;
57  constexpr unsigned int ETHER = 5;
59  constexpr unsigned int OLEFIN = 6;
61  constexpr unsigned int QUARTERNARY_N = 7;
63  constexpr unsigned int AROMATIC_N_ALIPHATIC_C = 8;
65  constexpr unsigned int LACTAM_N_ALIPHATIC_C = 9;
67  constexpr unsigned int AROMATIC_C_AROMATIC_C = 10;
69  constexpr unsigned int SULFONAMIDE = 11;
70  } // namespace RECAPRuleID
71  } // namespace Chem
72 } // namespace CDPL
73 
74 #endif // CDPL_CHEM_RECAPRULEID_HPP
constexpr unsigned int AMIDE
Specifies the RECAP rule for amide bond cleavage.
Definition: RECAPRuleID.hpp:49
constexpr unsigned int AROMATIC_N_ALIPHATIC_C
Specifies the RECAP rule for aromatic-N to aliphatic-C bond cleavage.
Definition: RECAPRuleID.hpp:63
constexpr unsigned int NONE
Specifies that no RECAP rule matched the bond.
Definition: RECAPRuleID.hpp:47
constexpr unsigned int QUARTERNARY_N
Specifies the RECAP rule for quaternary-nitrogen bond cleavage.
Definition: RECAPRuleID.hpp:61
constexpr unsigned int SULFONAMIDE
Specifies the RECAP rule for sulfonamide bond cleavage.
Definition: RECAPRuleID.hpp:69
constexpr unsigned int OLEFIN
Specifies the RECAP rule for olefinic-bond cleavage.
Definition: RECAPRuleID.hpp:59
constexpr unsigned int AROMATIC_C_AROMATIC_C
Specifies the RECAP rule for aromatic-C to aromatic-C bond cleavage (biaryl).
Definition: RECAPRuleID.hpp:67
constexpr unsigned int LACTAM_N_ALIPHATIC_C
Specifies the RECAP rule for lactam-N to aliphatic-C bond cleavage.
Definition: RECAPRuleID.hpp:65
constexpr unsigned int UREA
Specifies the RECAP rule for urea bond cleavage.
Definition: RECAPRuleID.hpp:55
constexpr unsigned int ESTER
Specifies the RECAP rule for ester bond cleavage.
Definition: RECAPRuleID.hpp:51
constexpr unsigned int ETHER
Specifies the RECAP rule for ether bond cleavage.
Definition: RECAPRuleID.hpp:57
constexpr unsigned int AMINE
Specifies the RECAP rule for amine bond cleavage.
Definition: RECAPRuleID.hpp:53
The namespace of the Chemical Data Processing Library.