Chemical Data Processing Library C++ API - Version 1.1.1
ReactionMatchConstraint.hpp
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1 /*
2  * ReactionMatchConstraint.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_REACTIONMATCHCONSTRAINT_HPP
30 #define CDPL_CHEM_REACTIONMATCHCONSTRAINT_HPP
31 
32 
33 namespace CDPL
34 {
35 
36  namespace Chem
37  {
38 
42  namespace ReactionMatchConstraint
43  {
44 
49  const unsigned int CONSTRAINT_LIST = 0;
50 
55  const unsigned int ATOM_MAPPING = 1;
56 
67  const unsigned int COMPONENT_GROUPING = 2;
68  } // namespace ReactionMatchConstraint
69  } // namespace Chem
70 } // namespace CDPL
71 
72 #endif // CDPL_CHEM_REACTIONMATCHCONSTRAINT_HPP
CDPL::Chem::ReactionMatchConstraint::COMPONENT_GROUPING
const unsigned int COMPONENT_GROUPING
Specifies a constraint which requires the target reaction to match any component level groupings defi...
Definition: ReactionMatchConstraint.hpp:67
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::ReactionMatchConstraint::ATOM_MAPPING
const unsigned int ATOM_MAPPING
Specifies a constraint which requires the target reaction to match the reactant to product atom mappi...
Definition: ReactionMatchConstraint.hpp:55
CDPL::Chem::ReactionMatchConstraint::CONSTRAINT_LIST
const unsigned int CONSTRAINT_LIST
Specifies a constraint which requires the target reaction to fulfill additional contraints specified ...
Definition: ReactionMatchConstraint.hpp:49