Chemical Data Processing Library C++ API - Version 1.2.1
MMCIFMoleculeReader.hpp
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1 /*
2  * MMCIFMoleculeReader.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_BIOMOL_MMCIFMOLECULEREADER_HPP
30 #define CDPL_BIOMOL_MMCIFMOLECULEREADER_HPP
31 
32 #include <memory>
33 
36 
37 
38 namespace CDPL
39 {
40 
41  namespace Chem
42  {
43 
44  class Molecule;
45  }
46 
47 #ifdef _MSC_VER
48  template class __declspec(dllimport) Base::DataReader<Chem::Molecule>;
49 #endif
50 
51  namespace Biomol
52  {
53 
54  class MMCIFDataReader;
55 
60  {
61 
62  public:
68  MMCIFMoleculeReader(std::istream& is);
69 
71 
76 
78 
79  private:
81 
82  bool readData(std::istream&, Chem::Molecule&, bool overwrite);
83  bool skipData(std::istream&);
84  bool moreData(std::istream&);
85 
86  typedef std::unique_ptr<MMCIFDataReader> MMCIFDataReaderPtr;
87 
88  MMCIFDataReaderPtr reader;
89  };
90  } // namespace Biomol
91 } // namespace CDPL
92 
93 #endif // CDPL_BIOMOL_MMCIFMOLECULEREADER_HPP
Definition of the preprocessor macro CDPL_BIOMOL_API.
#define CDPL_BIOMOL_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Definition of the class CDPL::Util::StreamDataReader.
Definition: MMCIFMoleculeReader.hpp:60
MMCIFMoleculeReader(const MMCIFMoleculeReader &)=delete
MMCIFMoleculeReader(std::istream &is)
Constructs a MMCIFMoleculeReader instance that will read the molecule data from the input stream is.
MMCIFMoleculeReader & operator=(const MMCIFMoleculeReader &)=delete
Molecule.
Definition: Molecule.hpp:49
The namespace of the Chemical Data Processing Library.