Chemical Data Processing Library C++ API - Version 1.1.1
Chem/DataFormat.hpp
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1 /*
2  * DataFormat.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_DATAFORMAT_HPP
30 #define CDPL_CHEM_DATAFORMAT_HPP
31 
32 #include "CDPL/Chem/APIPrefix.hpp"
33 
34 
35 namespace CDPL
36 {
37 
38  namespace Base
39  {
40 
41  class DataFormat;
42  }
43 
44  namespace Chem
45  {
46 
50  namespace DataFormat
51  {
52 
57  extern CDPL_CHEM_API const Base::DataFormat JME;
58 
62  extern CDPL_CHEM_API const Base::DataFormat MOL;
63 
67  extern CDPL_CHEM_API const Base::DataFormat SDF;
68 
73 
78 
82  extern CDPL_CHEM_API const Base::DataFormat RXN;
83 
87  extern CDPL_CHEM_API const Base::DataFormat RDF;
88 
93 
98 
103 
108 
113 
118 
123  extern CDPL_CHEM_API const Base::DataFormat INCHI;
124 
128  extern CDPL_CHEM_API const Base::DataFormat CDF;
129 
134 
139 
143  extern CDPL_CHEM_API const Base::DataFormat MOL2;
144 
149 
154 
158  extern CDPL_CHEM_API const Base::DataFormat XYZ;
159 
164 
169 
170  } // namespace DataFormat
171  } // namespace Chem
172 } // namespace CDPL
173 
174 #endif // CDPL_CHEM_DATAFORMAT_HPP
CDPL::Chem::DataFormat::XYZ
CDPL_CHEM_API const Base::DataFormat XYZ
Provides meta-information about the XYZ format.
CDPL::Chem::DataFormat::XYZ_GZ
CDPL_CHEM_API const Base::DataFormat XYZ_GZ
Provides meta-information about the gzip-compressed XYZ format.
CDPL::Chem::DataFormat::XYZ_BZ2
CDPL_CHEM_API const Base::DataFormat XYZ_BZ2
Provides meta-information about the bzip2-compressed XYZ format.
CDPL::Chem::DataFormat::CDF_GZ
CDPL_CHEM_API const Base::DataFormat CDF_GZ
Provides meta-information about the gzip-compressed native CDPL format.
CDPL::Base::DataFormat
Provides meta-information about a particular data storage format.
Definition: Base/DataFormat.hpp:49
APIPrefix.hpp
Definition of the preprocessor macro CDPL_CHEM_API.
CDPL::Chem::DataFormat::RDF_GZ
CDPL_CHEM_API const Base::DataFormat RDF_GZ
Provides meta-information about the gzip-compressed MDL RD-File [CTFILE] format.
CDPL_CHEM_API
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL::Chem::DataFormat::SMILES
CDPL_CHEM_API const Base::DataFormat SMILES
Provides meta-information about the Daylight SMILES [SMILES] format.
CDPL::Chem::DataFormat::MOL2_BZ2
CDPL_CHEM_API const Base::DataFormat MOL2_BZ2
Provides meta-information about the bzip2-compressed Sybyl MOL2 format.
CDPL::Chem::DataFormat::CDF_BZ2
CDPL_CHEM_API const Base::DataFormat CDF_BZ2
Provides meta-information about the bzip2-compressed native CDPL format.
CDPL::Chem::DataFormat::RXN
CDPL_CHEM_API const Base::DataFormat RXN
Provides meta-information about the MDL Rxn-File [CTFILE] format.
CDPL::Chem::DataFormat::RDF
CDPL_CHEM_API const Base::DataFormat RDF
Provides meta-information about the MDL RD-File [CTFILE] format.
CDPL::Chem::DataFormat::MOL2
CDPL_CHEM_API const Base::DataFormat MOL2
Provides meta-information about the Sybyl MOL2 format.
CDPL::Chem::DataFormat::SDF_GZ
CDPL_CHEM_API const Base::DataFormat SDF_GZ
Provides meta-information about the gzip-compressed MDL SD-File [CTFILE] format.
CDPL::Chem::DataFormat::RDF_BZ2
CDPL_CHEM_API const Base::DataFormat RDF_BZ2
Provides meta-information about the bzip2-compressed MDL RD-File [CTFILE] format.
CDPL::Chem::DataFormat::SMILES_BZ2
CDPL_CHEM_API const Base::DataFormat SMILES_BZ2
Provides meta-information about the bzip2-compressed Daylight SMILES [SMILES] format.
CDPL::Chem::DataFormat::CDF
CDPL_CHEM_API const Base::DataFormat CDF
Provides meta-information about the native CDPL format.
CDPL::Chem::DataFormat::JME
CDPL_CHEM_API const Base::DataFormat JME
Provides meta-information about the native I/O format of the JME Molecular Editor [JME] java applet.
CDPL::Chem::DataFormat::SMILES_GZ
CDPL_CHEM_API const Base::DataFormat SMILES_GZ
Provides meta-information about the gzip-compressed Daylight SMILES [SMILES] format.
CDPL::Chem::DataFormat::MOL2_GZ
CDPL_CHEM_API const Base::DataFormat MOL2_GZ
Provides meta-information about the gzip-compressed Sybyl MOL2 format.
CDPL::Chem::DataFormat::SMARTS
CDPL_CHEM_API const Base::DataFormat SMARTS
Provides meta-information about the Daylight SMARTS [SMARTS] format.
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::DataFormat::INCHI
CDPL_CHEM_API const Base::DataFormat INCHI
Provides meta-information about the IUPAC International Chemical Identifier (InChI) [INCHI] format.
CDPL::Chem::DataFormat::SDF
CDPL_CHEM_API const Base::DataFormat SDF
Provides meta-information about the MDL SD-File [CTFILE] format.
CDPL::Chem::DataFormat::SDF_BZ2
CDPL_CHEM_API const Base::DataFormat SDF_BZ2
Provides meta-information about the bzip2-compressed MDL SD-File [CTFILE] format.
CDPL::Chem::DataFormat::MOL
CDPL_CHEM_API const Base::DataFormat MOL
Provides meta-information about the MDL Mol-File [CTFILE] format.