Chemical Data Processing Library C++ API - Version 1.2.0
BondReactionCenterStatusMatchExpression.hpp
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1 /*
2  * BondReactionCenterStatusMatchExpression.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_BONDREACTIONCENTERSTATUSMATCHEXPRESSION_HPP
30 #define CDPL_CHEM_BONDREACTIONCENTERSTATUSMATCHEXPRESSION_HPP
31 
32 #include <memory>
33 
34 #include "CDPL/Chem/APIPrefix.hpp"
36 
37 
38 namespace CDPL
39 {
40 
41  namespace Chem
42  {
43 
44  class Bond;
45  class MolecularGraph;
46 
51  {
52 
53  public:
58  typedef std::shared_ptr<BondReactionCenterStatusMatchExpression> SharedPointer;
59 
68 
114  bool operator()(const Bond& query_bond, const MolecularGraph& query_molgraph, const Bond& target_bond,
115  const MolecularGraph& target_molgraph, const Base::Any& aux_data) const;
116 
117  private:
118  unsigned int rxnCtrStatus;
119  };
120  } // namespace Chem
121 } // namespace CDPL
122 
123 #endif // CDPL_CHEM_BONDREACTIONCENTERSTATUSMATCHEXPRESSION_HPP
Definition of the preprocessor macro CDPL_CHEM_API.
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Definition of the class CDPL::Chem::MatchExpression.
A safe, type checked container for arbitrary data of variable type.
Definition: Any.hpp:59
BondReactionCenterStatusMatchExpression.
Definition: BondReactionCenterStatusMatchExpression.hpp:51
std::shared_ptr< BondReactionCenterStatusMatchExpression > SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated BondReactionCenterStatusMatchExpr...
Definition: BondReactionCenterStatusMatchExpression.hpp:58
BondReactionCenterStatusMatchExpression(unsigned int status)
Constructs a BondReactionCenterStatusMatchExpression instance for the specified query reaction center...
bool operator()(const Bond &query_bond, const MolecularGraph &query_molgraph, const Bond &target_bond, const MolecularGraph &target_molgraph, const Base::Any &aux_data) const
Checks whether the reaction center status of target_bond matches the query reaction center status spe...
Bond.
Definition: Bond.hpp:50
A generic boolean expression interface for the implementation of query/target object equivalence test...
Definition: MatchExpression.hpp:75
MolecularGraph.
Definition: MolecularGraph.hpp:52
The namespace of the Chemical Data Processing Library.