Chemical Data Processing Library C++ API - Version 1.1.1
PDBMolecularGraphWriter.hpp
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1 /*
2  * PDBMolecularGraphWriter.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_PDBMOLECULARGRAPHWRITER_HPP
30 #define CDPL_BIOMOL_PDBMOLECULARGRAPHWRITER_HPP
31 
32 #include <memory>
33 #include <iosfwd>
34 
36 #include "CDPL/Base/DataWriter.hpp"
37 
38 
39 namespace CDPL
40 {
41 
42  namespace Chem
43  {
44 
45  class MolecularGraph;
46  }
47 
48  namespace Biomol
49  {
50 
51  class PDBDataWriter;
52 
56  class CDPL_BIOMOL_API PDBMolecularGraphWriter : public Base::DataWriter<Chem::MolecularGraph>
57  {
58 
59  public:
65  PDBMolecularGraphWriter(std::ostream& os);
66 
71 
78 
79  operator const void*() const;
80  bool operator!() const;
81 
82  private:
83  typedef std::unique_ptr<PDBDataWriter> PDBDataWriterPtr;
84 
86 
88 
89  std::ostream& output;
90  bool state;
91  PDBDataWriterPtr writer;
92  };
93  } // namespace Biomol
94 } // namespace CDPL
95 
96 #endif // CDPL_BIOMOL_PDBMOLECULARGRAPHWRITER_HPP
CDPL::Biomol::PDBMolecularGraphWriter::operator!
bool operator!() const
CDPL::Biomol::PDBMolecularGraphWriter::~PDBMolecularGraphWriter
~PDBMolecularGraphWriter()
Destructor.
DataWriter.hpp
Definition of the class CDPL::Base::DataWriter.
CDPL::Chem::MolecularGraph
MolecularGraph.
Definition: MolecularGraph.hpp:52
CDPL::Biomol::PDBMolecularGraphWriter
A writer for molecular graph data in the Brookhaven Protein Data Bank (PDB) [PDB] format.
Definition: PDBMolecularGraphWriter.hpp:57
APIPrefix.hpp
Definition of the preprocessor macro CDPL_BIOMOL_API.
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Biomol::PDBMolecularGraphWriter::write
Base::DataWriter< Chem::MolecularGraph > & write(const Chem::MolecularGraph &molgraph)
Writes data of the molecular graph molgraph to the output stream specified in the constructor.
CDPL::Base::DataWriter
An interface for writing data objects of a given type to an arbitrary data sink.
Definition: DataWriter.hpp:63
CDPL_BIOMOL_API
#define CDPL_BIOMOL_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL::Biomol::PDBMolecularGraphWriter::PDBMolecularGraphWriter
PDBMolecularGraphWriter(std::ostream &os)
Constructs a PDBMolecularGraphWriter instance that will write data of molecular graphs to the output ...