Chemical Data Processing Library C++ API - Version 1.1.1
SMARTSMolecularGraphWriter.hpp
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1 /*
2  * SMARTSMolecularGraphWriter.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_SMARTSMOLECULARGRAPHWRITER_HPP
30 #define CDPL_CHEM_SMARTSMOLECULARGRAPHWRITER_HPP
31 
32 #include <memory>
33 #include <iosfwd>
34 
35 #include "CDPL/Chem/APIPrefix.hpp"
36 #include "CDPL/Base/DataWriter.hpp"
37 
38 
39 namespace CDPL
40 {
41 
42  namespace Chem
43  {
44 
45  class SMARTSDataWriter;
46  class MolecularGraph;
47 
70  {
71 
72  public:
78  SMARTSMolecularGraphWriter(std::ostream& os);
79 
84 
91 
92  operator const void*() const;
93  bool operator!() const;
94 
95  private:
97 
99 
100  typedef std::unique_ptr<SMARTSDataWriter> SMARTSDataWriterPtr;
101 
102  std::ostream& output;
103  bool state;
104  SMARTSDataWriterPtr writer;
105  };
106  } // namespace Chem
107 } // namespace CDPL
108 
109 #endif // CDPL_CHEM_SMARTSMOLECULARGRAPHWRITER_HPP
CDPL::Chem::SMARTSMolecularGraphWriter::operator!
bool operator!() const
DataWriter.hpp
Definition of the class CDPL::Base::DataWriter.
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
MolecularGraph.
Definition: MolecularGraph.hpp:52
CDPL::Chem::SMARTSMolecularGraphWriter
A writer for molecular graph data in the Daylight SMARTS [SMARTS] format.
Definition: SMARTSMolecularGraphWriter.hpp:70
CDPL::Chem::SMARTSMolecularGraphWriter::write
Base::DataWriter< MolecularGraph > & write(const MolecularGraph &molgraph)
Writes data of the molecular graph molgraph to the output stream specified in the constructor.
CDPL::Chem::SMARTSMolecularGraphWriter::~SMARTSMolecularGraphWriter
~SMARTSMolecularGraphWriter()
Destructor.
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::SMARTSMolecularGraphWriter::SMARTSMolecularGraphWriter
SMARTSMolecularGraphWriter(std::ostream &os)
Constructs a SMARTSMolecularGraphWriter instance that will write data of molecular graphs to the outp...
CDPL::Base::DataWriter
An interface for writing data objects of a given type to an arbitrary data sink.
Definition: DataWriter.hpp:63