Chemical Data Processing Library C++ API - Version 1.4.0
Biomol/AtomProperty.hpp
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1 /*
2  * AtomProperty.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_ATOMPROPERTY_HPP
30 #define CDPL_BIOMOL_ATOMPROPERTY_HPP
31 
33 
34 
35 namespace CDPL
36 {
37 
38  namespace Base
39  {
40 
41  class LookupKey;
42  }
43 
44  namespace Biomol
45  {
46 
50  namespace AtomProperty
51  {
52 
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151 
158  } // namespace AtomProperty
159  } // namespace Biomol
160 } // namespace CDPL
161 
162 #endif // CDPL_BIOMOL_ATOMPROPERTY_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.
Unique lookup key for control-parameter and property values.
Definition: LookupKey.hpp:54
CDPL_BIOMOL_API const Base::LookupKey B_FACTOR
Specifies the isotropic temperature (B-) factor of the atom.
CDPL_BIOMOL_API const Base::LookupKey SERIAL_NUMBER
Specifies the serial number of the atom as read from or written to the input file.
CDPL_BIOMOL_API const Base::LookupKey RESIDUE_INSERTION_CODE
Specifies the insertion code of the residue the atom belongs to.
CDPL_BIOMOL_API const Base::LookupKey ALT_LOCATION_ID
Specifies the alternate-location identifier of the atom.
CDPL_BIOMOL_API const Base::LookupKey RESIDUE_ALT_ATOM_NAME
Specifies the alternative residue-local name of the atom.
CDPL_BIOMOL_API const Base::LookupKey OCCUPANCY
Specifies the occupancy of the atom as read from or written to the input file.
CDPL_BIOMOL_API const Base::LookupKey RESIDUE_ATOM_NAME
Specifies the residue-local name of the atom (e.g. CA, CB).
CDPL_BIOMOL_API const Base::LookupKey HETERO_ATOM_FLAG
Specifies whether the atom is a heteroatom (HETATM record in PDB).
CDPL_BIOMOL_API const Base::LookupKey CHAIN_ID
Specifies the chain identifier of the chain the atom belongs to.
CDPL_BIOMOL_API const Base::LookupKey RESIDUE_LEAVING_ATOM_FLAG
Specifies whether the atom is a leaving atom in the parent residue.
CDPL_BIOMOL_API const Base::LookupKey MODEL_NUMBER
Specifies the model number of the model the atom belongs to.
CDPL_BIOMOL_API const Base::LookupKey RESIDUE_CODE
Specifies the residue code (three-letter code) of the residue the atom belongs to.
CDPL_BIOMOL_API const Base::LookupKey RESIDUE_SEQUENCE_NUMBER
Specifies the sequence number of the residue the atom belongs to.
CDPL_BIOMOL_API const Base::LookupKey ENTITY_ID
Specifies the identifier of the entity the atom belongs to (e.g. an mmCIF entity ID).
CDPL_BIOMOL_API const Base::LookupKey RESIDUE_LINKING_ATOM_FLAG
Specifies whether the atom is a linking atom between residues.
The namespace of the Chemical Data Processing Library.