Chemical Data Processing Library C++ API - Version 1.1.1
BondDirectionMatchExpression.hpp
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1 /*
2  * BondDirectionMatchExpression.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_BONDDIRECTIONMATCHEXPRESSION_HPP
30 #define CDPL_CHEM_BONDDIRECTIONMATCHEXPRESSION_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 
50  class CDPL_CHEM_API BondDirectionMatchExpression : public MatchExpression<Bond, MolecularGraph>
51  {
52 
53  public:
57  typedef std::shared_ptr<BondDirectionMatchExpression> SharedPointer;
58 
66  BondDirectionMatchExpression(unsigned int dir_flags, bool not_match);
67 
90  bool operator()(const Bond& query_bond, const MolecularGraph& query_molgraph,
91  const Bond& target_bond, const MolecularGraph& target_molgraph,
92  const AtomBondMapping& mapping, const Base::Any& target_bond_dir) const;
93 
94  private:
95  unsigned int dirFlags;
96  bool notMatch;
97  };
98  } // namespace Chem
99 } // namespace CDPL
100 
101 #endif // CDPL_CHEM_BONDDIRECTIONMATCHEXPRESSION_HPP
CDPL::Chem::BondDirectionMatchExpression::BondDirectionMatchExpression
BondDirectionMatchExpression(unsigned int dir_flags, bool not_match)
Constructs an BondDirectionMatchExpression instance for the specified matching mode and bond directio...
APIPrefix.hpp
Definition of the preprocessor macro CDPL_CHEM_API.
CDPL_CHEM_API
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL::Chem::Bond
Bond.
Definition: Bond.hpp:50
CDPL::Chem::BondDirectionMatchExpression
BondDirectionMatchExpression.
Definition: BondDirectionMatchExpression.hpp:51
CDPL::Chem::MolecularGraph
MolecularGraph.
Definition: MolecularGraph.hpp:52
CDPL::Base::Any
A safe, type checked container for arbitrary data of variable type.
Definition: Any.hpp:59
CDPL::Chem::BondDirectionMatchExpression::operator()
bool operator()(const Bond &query_bond, const MolecularGraph &query_molgraph, const Bond &target_bond, const MolecularGraph &target_molgraph, const AtomBondMapping &mapping, const Base::Any &target_bond_dir) const
Checks whether the direction given by target_bond_dir matches (or does not match) the direction const...
CDPL::Chem::MatchExpression
A generic boolean expression interface for the implementation of query/target object equivalence test...
Definition: MatchExpression.hpp:75
MatchExpression.hpp
Definition of the class CDPL::Chem::MatchExpression.
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::AtomBondMapping
A data structure for the common storage of related atom to atom and bond to bond mappings.
Definition: AtomBondMapping.hpp:55
CDPL::Chem::BondDirectionMatchExpression::SharedPointer
std::shared_ptr< BondDirectionMatchExpression > SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated BondDirectionMatchExpression inst...
Definition: BondDirectionMatchExpression.hpp:57