Chemical Data Processing Library C++ API - Version 1.4.0
BRICSRuleID.hpp
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1 /*
2  * BRICSRuleID.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_BRICSRULEID_HPP
30 #define CDPL_CHEM_BRICSRULEID_HPP
31 
32 
33 namespace CDPL
34 {
35 
36  namespace Chem
37  {
38 
43  namespace BRICSRuleID
44  {
45 
49  constexpr unsigned int NONE = 0;
50 
54  constexpr unsigned int L1_L2 = 1;
55 
59  constexpr unsigned int L1_L3 = 2;
60 
64  constexpr unsigned int L1_L10 = 3;
65 
69  constexpr unsigned int L2_L12 = 4;
70 
74  constexpr unsigned int L2_L14 = 5;
75 
79  constexpr unsigned int L2_L16 = 6;
80 
84  constexpr unsigned int L3_L4 = 7;
85 
89  constexpr unsigned int L3_L13 = 8;
90 
94  constexpr unsigned int L3_L14 = 9;
95 
99  constexpr unsigned int L3_L15 = 10;
100 
104  constexpr unsigned int L3_L16 = 11;
105 
109  constexpr unsigned int L4_L5 = 12;
110 
114  constexpr unsigned int L4_L11 = 13;
115 
119  constexpr unsigned int L5_L13 = 14;
120 
124  constexpr unsigned int L5_L15 = 15;
125 
129  constexpr unsigned int L6_L13 = 16;
130 
134  constexpr unsigned int L6_L14 = 17;
135 
139  constexpr unsigned int L6_L15 = 18;
140 
144  constexpr unsigned int L6_L16 = 19;
145 
149  constexpr unsigned int L7_L7 = 20;
150 
154  constexpr unsigned int L8_L9 = 21;
155 
159  constexpr unsigned int L8_L10 = 22;
160 
164  constexpr unsigned int L8_L13 = 23;
165 
169  constexpr unsigned int L8_L14 = 24;
170 
174  constexpr unsigned int L8_L15 = 25;
175 
179  constexpr unsigned int L8_L16 = 26;
180 
184  constexpr unsigned int L9_L15 = 27;
185 
189  constexpr unsigned int L9_L16 = 28;
190 
194  constexpr unsigned int L10_L13 = 29;
195 
199  constexpr unsigned int L10_L14 = 30;
200 
204  constexpr unsigned int L10_L15 = 31;
205 
209  constexpr unsigned int L10_L16 = 32;
210 
214  constexpr unsigned int L11_L13 = 33;
215 
219  constexpr unsigned int L11_L14 = 34;
220 
224  constexpr unsigned int L11_L15 = 35;
225 
229  constexpr unsigned int L11_L16 = 36;
230 
234  constexpr unsigned int L13_L14 = 37;
235 
239  constexpr unsigned int L13_L15 = 38;
240 
244  constexpr unsigned int L13_L16 = 39;
245 
249  constexpr unsigned int L14_L15 = 40;
250 
254  constexpr unsigned int L14_L16 = 41;
255 
259  constexpr unsigned int L15_L16 = 42;
260  } // namespace BRICSRuleID
261  } // namespace Chem
262 } // namespace CDPL
263 
264 #endif // CDPL_CHEM_BRICSRULEID_HPP
constexpr unsigned int L8_L9
Rule cleaving the bond between atom-class L8 and L9.
Definition: BRICSRuleID.hpp:154
constexpr unsigned int L7_L7
Rule cleaving the bond between two atoms of atom-class L7.
Definition: BRICSRuleID.hpp:149
constexpr unsigned int L14_L15
Rule cleaving the bond between atom-class L14 and L15.
Definition: BRICSRuleID.hpp:249
constexpr unsigned int L10_L14
Rule cleaving the bond between atom-class L10 and L14.
Definition: BRICSRuleID.hpp:199
constexpr unsigned int L4_L11
Rule cleaving the bond between atom-class L4 and L11.
Definition: BRICSRuleID.hpp:114
constexpr unsigned int L3_L13
Rule cleaving the bond between atom-class L3 and L13.
Definition: BRICSRuleID.hpp:89
constexpr unsigned int L5_L15
Rule cleaving the bond between atom-class L5 and L15.
Definition: BRICSRuleID.hpp:124
constexpr unsigned int L11_L15
Rule cleaving the bond between atom-class L11 and L15.
Definition: BRICSRuleID.hpp:224
constexpr unsigned int L8_L16
Rule cleaving the bond between atom-class L8 and L16.
Definition: BRICSRuleID.hpp:179
constexpr unsigned int L6_L13
Rule cleaving the bond between atom-class L6 and L13.
Definition: BRICSRuleID.hpp:129
constexpr unsigned int L8_L10
Rule cleaving the bond between atom-class L8 and L10.
Definition: BRICSRuleID.hpp:159
constexpr unsigned int L10_L13
Rule cleaving the bond between atom-class L10 and L13.
Definition: BRICSRuleID.hpp:194
constexpr unsigned int L1_L10
Rule cleaving the bond between atom-class L1 and L10.
Definition: BRICSRuleID.hpp:64
constexpr unsigned int L2_L12
Rule cleaving the bond between atom-class L2 and L12.
Definition: BRICSRuleID.hpp:69
constexpr unsigned int L8_L15
Rule cleaving the bond between atom-class L8 and L15.
Definition: BRICSRuleID.hpp:174
constexpr unsigned int L15_L16
Rule cleaving the bond between atom-class L15 and L16.
Definition: BRICSRuleID.hpp:259
constexpr unsigned int L9_L15
Rule cleaving the bond between atom-class L9 and L15.
Definition: BRICSRuleID.hpp:184
constexpr unsigned int L2_L16
Rule cleaving the bond between atom-class L2 and L16.
Definition: BRICSRuleID.hpp:79
constexpr unsigned int L13_L16
Rule cleaving the bond between atom-class L13 and L16.
Definition: BRICSRuleID.hpp:244
constexpr unsigned int L3_L14
Rule cleaving the bond between atom-class L3 and L14.
Definition: BRICSRuleID.hpp:94
constexpr unsigned int L6_L15
Rule cleaving the bond between atom-class L6 and L15.
Definition: BRICSRuleID.hpp:139
constexpr unsigned int L6_L14
Rule cleaving the bond between atom-class L6 and L14.
Definition: BRICSRuleID.hpp:134
constexpr unsigned int L11_L13
Rule cleaving the bond between atom-class L11 and L13.
Definition: BRICSRuleID.hpp:214
constexpr unsigned int L5_L13
Rule cleaving the bond between atom-class L5 and L13.
Definition: BRICSRuleID.hpp:119
constexpr unsigned int L1_L2
Rule cleaving the bond between atom-class L1 and L2 (C-C between sp3 carbons).
Definition: BRICSRuleID.hpp:54
constexpr unsigned int L8_L14
Rule cleaving the bond between atom-class L8 and L14.
Definition: BRICSRuleID.hpp:169
constexpr unsigned int NONE
No rule applies.
Definition: BRICSRuleID.hpp:49
constexpr unsigned int L3_L16
Rule cleaving the bond between atom-class L3 and L16.
Definition: BRICSRuleID.hpp:104
constexpr unsigned int L13_L14
Rule cleaving the bond between atom-class L13 and L14.
Definition: BRICSRuleID.hpp:234
constexpr unsigned int L2_L14
Rule cleaving the bond between atom-class L2 and L14.
Definition: BRICSRuleID.hpp:74
constexpr unsigned int L8_L13
Rule cleaving the bond between atom-class L8 and L13.
Definition: BRICSRuleID.hpp:164
constexpr unsigned int L10_L15
Rule cleaving the bond between atom-class L10 and L15.
Definition: BRICSRuleID.hpp:204
constexpr unsigned int L11_L16
Rule cleaving the bond between atom-class L11 and L16.
Definition: BRICSRuleID.hpp:229
constexpr unsigned int L13_L15
Rule cleaving the bond between atom-class L13 and L15.
Definition: BRICSRuleID.hpp:239
constexpr unsigned int L3_L15
Rule cleaving the bond between atom-class L3 and L15.
Definition: BRICSRuleID.hpp:99
constexpr unsigned int L11_L14
Rule cleaving the bond between atom-class L11 and L14.
Definition: BRICSRuleID.hpp:219
constexpr unsigned int L14_L16
Rule cleaving the bond between atom-class L14 and L16.
Definition: BRICSRuleID.hpp:254
constexpr unsigned int L1_L3
Rule cleaving the bond between atom-class L1 and L3 (sp3 C - N).
Definition: BRICSRuleID.hpp:59
constexpr unsigned int L4_L5
Rule cleaving the bond between atom-class L4 and L5.
Definition: BRICSRuleID.hpp:109
constexpr unsigned int L6_L16
Rule cleaving the bond between atom-class L6 and L16.
Definition: BRICSRuleID.hpp:144
constexpr unsigned int L9_L16
Rule cleaving the bond between atom-class L9 and L16.
Definition: BRICSRuleID.hpp:189
constexpr unsigned int L3_L4
Rule cleaving the bond between atom-class L3 and L4.
Definition: BRICSRuleID.hpp:84
constexpr unsigned int L10_L16
Rule cleaving the bond between atom-class L10 and L16.
Definition: BRICSRuleID.hpp:209
The namespace of the Chemical Data Processing Library.