Chemical Data Processing Library C++ API - Version 1.1.1
RXNReactionReader.hpp
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1 /*
2  * RXNReactionReader.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_RXNREACTIONREADER_HPP
30 #define CDPL_CHEM_RXNREACTIONREADER_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 MDLDataReader;
45  class Reaction;
46 
83  class CDPL_CHEM_API RXNReactionReader : public Util::StreamDataReader<Reaction, RXNReactionReader>
84  {
85 
86  public:
92  RXNReactionReader(std::istream& is);
93 
98 
99  private:
101 
103 
104  RXNReactionReader& operator=(const RXNReactionReader&);
105 
106  bool readData(std::istream&, Reaction&, bool overwrite);
107  bool skipData(std::istream&);
108  bool moreData(std::istream&);
109 
110  typedef std::unique_ptr<MDLDataReader> MDLDataReaderPtr;
111 
112  MDLDataReaderPtr reader;
113  };
114  } // namespace Chem
115 } // namespace CDPL
116 
117 #endif // CDPL_CHEM_RXNREACTIONREADER_HPP
CDPL::Chem::RXNReactionReader::~RXNReactionReader
~RXNReactionReader()
Destructor.
APIPrefix.hpp
Definition of the preprocessor macro CDPL_CHEM_API.
CDPL::Chem::RXNReactionReader::RXNReactionReader
RXNReactionReader(std::istream &is)
Constructs a RXNReactionReader instance that will read the reaction data from the input stream is.
CDPL_CHEM_API
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::Reaction
Reaction.
Definition: Reaction.hpp:52
CDPL::Chem::RXNReactionReader
A reader for reaction data in the MDL Rxn-File [CTFILE] format.
Definition: RXNReactionReader.hpp:84
StreamDataReader.hpp
Definition of the class CDPL::Util::StreamDataReader.
CDPL::Util::StreamDataReader
A helper class that implements Base::DataReader for std::istream based data readers.
Definition: StreamDataReader.hpp:73