Chemical Data Processing Library C++ API - Version 1.4.0
PSDMoleculeInputHandler.hpp
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1 /*
2  * PSDMoleculeInputHandler.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_PHARM_PSDMOLECULEINPUTHANDLER_HPP
30 #define CDPL_PHARM_PSDMOLECULEINPUTHANDLER_HPP
31 
32 #include "CDPL/Pharm/APIPrefix.hpp"
34 
35 
36 namespace CDPL
37 {
38 
39  namespace Chem
40  {
41 
42  class Molecule;
43  }
44 
45  namespace Pharm
46  {
47 
52  {
53 
54  public:
60 
66  ReaderType::SharedPointer createReader(std::istream& is) const;
67 
74  ReaderType::SharedPointer createReader(const std::string& file_name, std::ios_base::openmode mode) const;
75  };
76  } // namespace Pharm
77 } // namespace CDPL
78 
79 #endif // CDPL_PHARM_PSDMOLECULEINPUTHANDLER_HPP
Definition of class CDPL::Base::DataInputHandler.
Definition of the preprocessor macro CDPL_PHARM_API.
#define CDPL_PHARM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Provides meta-information about a particular data storage format.
Definition: Base/DataFormat.hpp:49
Factory interface providing methods for the creation of Base::DataReader instances handling a particu...
Definition: DataInputHandler.hpp:55
std::shared_ptr< DataReader > SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated DataReader instances.
Definition: DataReader.hpp:84
Handler for the input of molecule data in the CDPL PSD-format.
Definition: PSDMoleculeInputHandler.hpp:52
ReaderType::SharedPointer createReader(const std::string &file_name, std::ios_base::openmode mode) const
Creates a Pharm::PSDMoleculeReader that reads from the file file_name.
const Base::DataFormat & getDataFormat() const
Returns the data format advertised by this handler (Pharm::DataFormat::PSD).
ReaderType::SharedPointer createReader(std::istream &is) const
Creates a Pharm::PSDMoleculeReader that reads from the input stream is.
The namespace of the Chemical Data Processing Library.