BALL 1.5.0
extractors.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4// $Id: extractors.h,v 1.2.8.3 2007/03/27 22:41:31 amoll Exp $
5//
6// Author:
7// Oliver Kohlbacher
8//
9
10#ifndef BALL_KERNEL_EXTRACTORS_H
11#define BALL_KERNEL_EXTRACTORS_H
12
13#ifndef BALL_COMMON_H
14# include <BALL/common.h>
15#endif
16
17#ifndef BALL_DATATYPE_STRING_H
18# include <BALL/DATATYPE/string.h>
19#endif
20
21namespace BALL
22{
23
24 class Atom;
25 class PDBAtom;
26 class Bond;
27 class AtomContainer;
28 class Fragment;
29 class Molecule;
30 class Residue;
31 class SecondaryStructure;
32 class Chain;
33 class Protein;
34 class Nucleotide;
35 class NucleicAcid;
36
51 typedef std::list<Atom*> AtomList;
53 typedef std::list<Bond*> BondList;
55 typedef std::list<AtomContainer*> AtomContainerList;
57 typedef std::list<PDBAtom*> PDBAtomList;
59 typedef std::list<Residue*> ResidueList;
61 typedef std::list<Fragment*> FragmentList;
63 typedef std::list<Molecule*> MoleculeList;
65 typedef std::list<Protein*> ProteinList;
67 typedef std::list<SecondaryStructure*> SecondaryStructureList;
69 typedef std::list<Chain*> ChainList;
71 typedef std::list<Nucleotide*> NucleotideList;
73 typedef std::list<NucleicAcid*> NucleicAcidList;
74
76
84
92 BALL_EXPORT AtomList atoms(const AtomContainer& fragment, const String& expression = String());
93
100 BALL_EXPORT AtomList atoms(const AtomList& atoms, const String& expression);
101
109 BALL_EXPORT PDBAtomList PDBAtoms(const AtomContainer& fragment, const String& expression = String());
110
116 BALL_EXPORT BondList bonds(const AtomContainer& fragment, bool selected_only = false);
117
122
125 BALL_EXPORT AtomContainerList atomContainers(const AtomContainer& fragment, bool selected_only = false);
126
129 BALL_EXPORT ResidueList residues(const AtomContainer& fragment, bool selected_only = false);
130
133 BALL_EXPORT FragmentList fragments(const AtomContainer& fragment, bool selected_only = false);
134
137 BALL_EXPORT MoleculeList molecules(const AtomContainer& fragment, bool selected_only = false);
138
141 BALL_EXPORT ProteinList proteins(const AtomContainer& fragment, bool selected_only = false);
142
145 BALL_EXPORT SecondaryStructureList secondaryStructures(const AtomContainer& fragment, bool selected_only = false);
146
149 BALL_EXPORT ChainList chains(const AtomContainer& fragment, bool selected_only = false);
150
153 BALL_EXPORT NucleicAcidList nucleicAcids(const AtomContainer& fragment, bool selected_only = false);
154
157 BALL_EXPORT NucleotideList nucleotides(const AtomContainer& fragment, bool selected_only = false);
158
160
161} // namespace BALL
162
163#endif // BALL_KERNEL_EXTRACTORS_H
BALL_EXPORT AtomList atoms(const AtomContainer &fragment, const String &expression=String())
std::list< Atom * > AtomList
Definition: extractors.h:51
Definition: constants.h:13
BALL_EXPORT AtomContainerList atomContainers(const AtomContainer &fragment, bool selected_only=false)
std::list< Nucleotide * > NucleotideList
Definition: extractors.h:71
std::list< Residue * > ResidueList
Definition: extractors.h:59
std::list< Molecule * > MoleculeList
Definition: extractors.h:63
std::list< PDBAtom * > PDBAtomList
Definition: extractors.h:57
BALL_EXPORT PDBAtomList PDBAtoms(const AtomContainer &fragment, const String &expression=String())
BALL_EXPORT ProteinList proteins(const AtomContainer &fragment, bool selected_only=false)
std::list< Bond * > BondList
Definition: extractors.h:53
std::list< SecondaryStructure * > SecondaryStructureList
Definition: extractors.h:67
BALL_EXPORT MoleculeList molecules(const AtomContainer &fragment, bool selected_only=false)
std::list< Chain * > ChainList
Definition: extractors.h:69
BALL_EXPORT NucleotideList nucleotides(const AtomContainer &fragment, bool selected_only=false)
BALL_EXPORT FragmentList fragments(const AtomContainer &fragment, bool selected_only=false)
BALL_EXPORT SecondaryStructureList secondaryStructures(const AtomContainer &fragment, bool selected_only=false)
BALL_EXPORT ChainList chains(const AtomContainer &fragment, bool selected_only=false)
std::list< AtomContainer * > AtomContainerList
Definition: extractors.h:55
BALL_EXPORT ResidueList residues(const AtomContainer &fragment, bool selected_only=false)
BALL_EXPORT NucleicAcidList nucleicAcids(const AtomContainer &fragment, bool selected_only=false)
std::list< Protein * > ProteinList
Definition: extractors.h:65
std::list< Fragment * > FragmentList
Definition: extractors.h:61
std::list< NucleicAcid * > NucleicAcidList
Definition: extractors.h:73
BALL_EXPORT BondList bonds(const AtomContainer &fragment, bool selected_only=false)
char Atom[5]
Definition: PDBdefs.h:257
#define BALL_EXPORT
Definition: COMMON/global.h:50