Chemical Data Processing Library C++ API - Version 1.1.1
SMARTSMoleculeReader.hpp
Go to the documentation of this file.
1 /*
2  * SMARTSMoleculeReader.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_SMARTSMOLECULEREADER_HPP
30 #define CDPL_CHEM_SMARTSMOLECULEREADER_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 SMARTSDataReader;
45  class Molecule;
46 
63  class CDPL_CHEM_API SMARTSMoleculeReader : public Util::StreamDataReader<Molecule, SMARTSMoleculeReader>
64  {
65 
66  public:
72  SMARTSMoleculeReader(std::istream& is);
73 
78 
79  private:
81 
83 
84  SMARTSMoleculeReader& operator=(const SMARTSMoleculeReader&);
85 
86  bool readData(std::istream&, Molecule&, bool overwrite);
87  bool skipData(std::istream&);
88  bool moreData(std::istream&);
89 
90  typedef std::unique_ptr<SMARTSDataReader> SMARTSDataReaderPtr;
91 
92  SMARTSDataReaderPtr reader;
93  };
94  } // namespace Chem
95 } // namespace CDPL
96 
97 #endif // CDPL_CHEM_SMARTSMOLECULEREADER_HPP
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::SMARTSMoleculeReader::~SMARTSMoleculeReader
~SMARTSMoleculeReader()
Destructor.
CDPL::Chem::Molecule
Molecule.
Definition: Molecule.hpp:49
CDPL::Chem::SMARTSMoleculeReader
A reader for molecule data in the Daylight SMARTS [SMARTS] format.
Definition: SMARTSMoleculeReader.hpp:64
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::SMARTSMoleculeReader::SMARTSMoleculeReader
SMARTSMoleculeReader(std::istream &is)
Constructs a SMARTSMoleculeReader instance that will read the molecule data from the input stream is.
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