Chemical Data Processing Library C++ API - Version 1.1.1
MolecularGraph.hpp
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1 /*
2  * MolecularGraph.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_MOLECULARGRAPH_HPP
30 #define CDPL_CHEM_MOLECULARGRAPH_HPP
31 
32 #include <memory>
33 
34 #include "CDPL/Chem/APIPrefix.hpp"
38 
39 
40 namespace CDPL
41 {
42 
43  namespace Chem
44  {
45 
50  public BondContainer,
52  {
53 
54  public:
58  typedef std::shared_ptr<MolecularGraph> SharedPointer;
59 
63  virtual ~MolecularGraph() {}
64 
69  virtual SharedPointer clone() const = 0;
70 
71  protected:
78  };
79  } // namespace Chem
80 } // namespace CDPL
81 
82 #endif // CDPL_CHEM_MOLECULARGRAPH_HPP
CDPL::Chem::MolecularGraph::SharedPointer
std::shared_ptr< MolecularGraph > SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated MolecularGraph instances.
Definition: MolecularGraph.hpp:58
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::MolecularGraph::operator=
MolecularGraph & operator=(const MolecularGraph &molgraph)
Assignment operator.
BondContainer.hpp
Definition of the class CDPL::Chem::BondContainer.
CDPL::Chem::MolecularGraph
MolecularGraph.
Definition: MolecularGraph.hpp:52
CDPL::Chem::AtomContainer
A common interface for data-structures that support a random access to stored Chem::Atom instances.
Definition: AtomContainer.hpp:55
AtomContainer.hpp
Definition of the class CDPL::Chem::AtomContainer.
CDPL::Base::PropertyContainer
A class providing methods for the storage and lookup of object properties.
Definition: PropertyContainer.hpp:75
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::BondContainer
A common interface for data-structures that support a random access to stored Chem::Bond instances.
Definition: BondContainer.hpp:54
PropertyContainer.hpp
Definition of the class CDPL::Base::PropertyContainer.
CDPL::Chem::MolecularGraph::clone
virtual SharedPointer clone() const =0
Creates a copy of the molecular graph.
CDPL::Chem::MolecularGraph::~MolecularGraph
virtual ~MolecularGraph()
Virtual destructor.
Definition: MolecularGraph.hpp:63