BALL
1.5.0
include
BALL
CONCEPT
molecularInformation.h
Go to the documentation of this file.
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// -*- Mode: C++; tab-width: 2; -*-
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// vi: set ts=2:
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//
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#ifndef BALL_CONCEPT_MOLECULARINFORMATION_H
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#define BALL_CONCEPT_MOLECULARINFORMATION_H
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#ifndef BALL_CONCEPT_COMPOSITE_H
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# include <
BALL/CONCEPT/composite.h
>
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#endif
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namespace
BALL
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{
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class
Atom
;
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class
BALL_EXPORT
MolecularInformation
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:
public
Visitor
<Composite>
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{
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public
:
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enum
Type
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{
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TYPE__UNKNOWN = -1,
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TYPE__SYSTEM = 0,
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TYPE__PROTEIN = 1,
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TYPE__MOLECULE = 2,
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TYPE__CHAIN = 3,
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TYPE__FRAGMENT = 4,
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TYPE__RESIDUE = 5,
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TYPE__SECONDARY_STRUCTURE = 6,
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TYPE__ATOM = 7,
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TYPE__BOND = 8
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};
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MolecularInformation
()
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;
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virtual
~MolecularInformation
()
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;
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virtual
void
clear
()
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;
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Type
getType
()
const
{
return
type_;}
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String
getName
()
const
{
return
name_;}
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String
getTypeName
()
const
{
return
type_name_;}
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virtual
void
visit
(
Composite
& composite);
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private
:
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String
getBondAtomName_(
Atom
* atom);
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void
getType_(
Composite
& composite);
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void
getTypeName_();
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void
getName_(
Composite
& composite);
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Type
type_;
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String
name_;
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String
type_name_;
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};
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}
// namespace BALL
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#endif // BALL_CONCEPT_MOLECULARINFORMATION_H
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
BALL::MolecularInformation::visit
virtual void visit(Composite &composite)
BALL::MolecularInformation
Definition:
molecularInformation.h:23
BALL::MolecularInformation::getType
Type getType() const
Definition:
molecularInformation.h:101
BALL::MolecularInformation::getName
String getName() const
Definition:
molecularInformation.h:104
BALL::MolecularInformation::Type
Type
Definition:
molecularInformation.h:33
BALL::MolecularInformation::MolecularInformation
MolecularInformation()
BALL::Atom
Definition:
atom.h:90
BALL::String
Definition:
string.h:57
BALL
Definition:
constants.h:13
BALL::PDB::Atom
char Atom[5]
Definition:
PDBdefs.h:257
BALL::Composite
Definition:
composite.h:74
composite.h
BALL::Visitor
Definition:
visitor.h:23
BALL::MolecularInformation::clear
virtual void clear()
BALL::MolecularInformation::~MolecularInformation
virtual ~MolecularInformation()
BALL::MolecularInformation::getTypeName
String getTypeName() const
Definition:
molecularInformation.h:107
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