Chemical Data Processing Library C++ API - Version 1.1.1
SMILESMoleculeReader.hpp
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1 /*
2  * SMILESMoleculeReader.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_SMILESMOLECULEREADER_HPP
30 #define CDPL_CHEM_SMILESMOLECULEREADER_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 SMILESDataReader;
45  class Molecule;
46 
68  class CDPL_CHEM_API SMILESMoleculeReader : public Util::StreamDataReader<Molecule, SMILESMoleculeReader>
69  {
70 
71  public:
77  SMILESMoleculeReader(std::istream& is);
78 
83 
84  private:
86 
88 
89  SMILESMoleculeReader& operator=(const SMILESMoleculeReader&);
90 
91  bool readData(std::istream&, Molecule&, bool overwrite);
92  bool skipData(std::istream&);
93  bool moreData(std::istream&);
94 
95  typedef std::unique_ptr<SMILESDataReader> SMILESDataReaderPtr;
96 
97  SMILESDataReaderPtr reader;
98  };
99  } // namespace Chem
100 } // namespace CDPL
101 
102 #endif // CDPL_CHEM_SMILESMOLECULEREADER_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::SMILESMoleculeReader
A reader for molecule data in the Daylight SMILES [SMILES] format.
Definition: SMILESMoleculeReader.hpp:69
CDPL::Chem::Molecule
Molecule.
Definition: Molecule.hpp:49
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::SMILESMoleculeReader::SMILESMoleculeReader
SMILESMoleculeReader(std::istream &is)
Constructs a SMILESMoleculeReader instance that will read the molecule data from the input stream is.
CDPL::Chem::SMILESMoleculeReader::~SMILESMoleculeReader
~SMILESMoleculeReader()
Destructor.
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