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extractors.h
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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// $Id: extractors.h,v 1.2.8.3 2007/03/27 22:41:31 amoll Exp $
//
// Author:
// Oliver Kohlbacher
//
#ifndef BALL_KERNEL_EXTRACTORS_H
#define BALL_KERNEL_EXTRACTORS_H
#ifndef BALL_COMMON_H
# include <BALL/common.h>
#endif
#ifndef BALL_DATATYPE_STRING_H
# include <BALL/DATATYPE/string.h>
#endif
namespace BALL
{
class Atom;
class PDBAtom;
class Bond;
class AtomContainer;
class Fragment;
class Molecule;
class Residue;
class SecondaryStructure;
class Chain;
class Protein;
class Nucleotide;
class NucleicAcid;
typedef std::list<Atom*> AtomList;
typedef std::list<Bond*> BondList;
typedef std::list<AtomContainer*> AtomContainerList;
typedef std::list<PDBAtom*> PDBAtomList;
typedef std::list<Residue*> ResidueList;
typedef std::list<Fragment*> FragmentList;
typedef std::list<Molecule*> MoleculeList;
typedef std::list<Protein*> ProteinList;
typedef std::list<SecondaryStructure*> SecondaryStructureList;
typedef std::list<Chain*> ChainList;
typedef std::list<Nucleotide*> NucleotideList;
typedef std::list<NucleicAcid*> NucleicAcidList;
BALL_EXPORT AtomList atoms(const AtomContainer& fragment, const String& expression = String());
BALL_EXPORT AtomList atoms(const AtomList& atoms, const String& expression);
BALL_EXPORT PDBAtomList PDBAtoms(const AtomContainer& fragment, const String& expression = String());
BALL_EXPORT BondList bonds(const AtomContainer& fragment, bool selected_only = false);
BALL_EXPORT BondList bonds(const Atom& atom);
BALL_EXPORT AtomContainerList atomContainers(const AtomContainer& fragment, bool selected_only = false);
BALL_EXPORT ResidueList residues(const AtomContainer& fragment, bool selected_only = false);
BALL_EXPORT FragmentList fragments(const AtomContainer& fragment, bool selected_only = false);
BALL_EXPORT MoleculeList molecules(const AtomContainer& fragment, bool selected_only = false);
BALL_EXPORT ProteinList proteins(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);
BALL_EXPORT NucleicAcidList nucleicAcids(const AtomContainer& fragment, bool selected_only = false);
BALL_EXPORT NucleotideList nucleotides(const AtomContainer& fragment, bool selected_only = false);
} // namespace BALL
#endif // BALL_KERNEL_EXTRACTORS_H
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
BALL::AtomContainer
Definition atomContainer.h:32
BALL::Atom
Definition atom.h:90
BALL::Bond
Definition bond.h:57
BALL::Chain
Definition chain.h:32
BALL::Fragment
Definition fragment.h:22
BALL::Molecule
Definition molecule.h:31
BALL::NucleicAcid
Definition nucleicAcid.h:29
BALL::Nucleotide
Definition nucleotide.h:37
BALL::PDBAtom
Definition PDBAtom.h:40
BALL::Protein
Definition protein.h:30
BALL::Residue
Definition residue.h:38
BALL::SecondaryStructure
Definition secondaryStructure.h:31
BALL::String
Definition string.h:57
common.h
BALL::atoms
BALL_EXPORT AtomList atoms(const AtomContainer &fragment, const String &expression=String())
BALL::AtomList
std::list< Atom * > AtomList
Definition extractors.h:51
BALL
Definition constants.h:13
BALL::atomContainers
BALL_EXPORT AtomContainerList atomContainers(const AtomContainer &fragment, bool selected_only=false)
BALL::NucleotideList
std::list< Nucleotide * > NucleotideList
Definition extractors.h:71
BALL::ResidueList
std::list< Residue * > ResidueList
Definition extractors.h:59
BALL::MoleculeList
std::list< Molecule * > MoleculeList
Definition extractors.h:63
BALL::PDBAtomList
std::list< PDBAtom * > PDBAtomList
Definition extractors.h:57
BALL::PDBAtoms
BALL_EXPORT PDBAtomList PDBAtoms(const AtomContainer &fragment, const String &expression=String())
BALL::proteins
BALL_EXPORT ProteinList proteins(const AtomContainer &fragment, bool selected_only=false)
BALL::BondList
std::list< Bond * > BondList
Definition extractors.h:53
BALL::SecondaryStructureList
std::list< SecondaryStructure * > SecondaryStructureList
Definition extractors.h:67
BALL::molecules
BALL_EXPORT MoleculeList molecules(const AtomContainer &fragment, bool selected_only=false)
BALL::ChainList
std::list< Chain * > ChainList
Definition extractors.h:69
BALL::nucleotides
BALL_EXPORT NucleotideList nucleotides(const AtomContainer &fragment, bool selected_only=false)
BALL::fragments
BALL_EXPORT FragmentList fragments(const AtomContainer &fragment, bool selected_only=false)
BALL::secondaryStructures
BALL_EXPORT SecondaryStructureList secondaryStructures(const AtomContainer &fragment, bool selected_only=false)
BALL::chains
BALL_EXPORT ChainList chains(const AtomContainer &fragment, bool selected_only=false)
BALL::AtomContainerList
std::list< AtomContainer * > AtomContainerList
Definition extractors.h:55
BALL::residues
BALL_EXPORT ResidueList residues(const AtomContainer &fragment, bool selected_only=false)
BALL::nucleicAcids
BALL_EXPORT NucleicAcidList nucleicAcids(const AtomContainer &fragment, bool selected_only=false)
BALL::ProteinList
std::list< Protein * > ProteinList
Definition extractors.h:65
BALL::FragmentList
std::list< Fragment * > FragmentList
Definition extractors.h:61
BALL::NucleicAcidList
std::list< NucleicAcid * > NucleicAcidList
Definition extractors.h:73
BALL::bonds
BALL_EXPORT BondList bonds(const AtomContainer &fragment, bool selected_only=false)
string.h