CDPL::Biomol::PDBData Class Reference

A data structure for the storage of imported PDB data records (see [CTFILE]). More...

#include <PDBData.hpp>

Public Types
enum	RecordType {   HEADER ,   OBSLTE ,   TITLE ,   SPLIT ,   CAVEAT ,   COMPND ,   SOURCE ,   KEYWDS ,   EXPDTA ,   AUTHOR ,   REVDAT ,   SPRSDE ,   JRNL ,   REMARK ,   DBREF ,   DBREF1 ,   DBREF2 ,   SEQADV ,   SEQRES ,   MODRES ,   HET ,   FORMUL ,   HETNAM ,   HETSYN ,   HELIX ,   SHEET ,   TURN ,   SSBOND ,   LINK ,   CISPEP ,   SITE ,   CRYST1 ,   MTRIX1 ,   MTRIX2 ,   MTRIX3 ,   ORIGX1 ,   ORIGX2 ,   ORIGX3 ,   SCALE1 ,   SCALE2 ,   SCALE3 ,   STRUCTURE_ID ,   DEPOSITION_DATE ,   RESOLUTION }
typedef std::shared_ptr< PDBData >	SharedPointer
typedef TypeToDataMap::value_type	Record
typedef TypeToDataMap::const_iterator	ConstRecordIterator
typedef TypeToDataMap::iterator	RecordIterator

Public Member Functions
	PDBData ()
	PDBData (const PDBData &other)
void	clear ()
std::size_t	getNumRecords () const
bool	isEmpty () const
bool	containsRecord (const RecordType &type) const
RecordIterator	getRecord (const RecordType &type)
ConstRecordIterator	getRecord (const RecordType &type) const
std::string &	getData (const RecordType &type)
const std::string &	getData (const RecordType &type) const
void	removeRecord (const RecordIterator &it)
bool	removeRecord (const RecordType &type)
RecordIterator	setRecord (const Record &rec)
RecordIterator	setRecord (const RecordType &type, const std::string &data)
ConstRecordIterator	getRecordsBegin () const
RecordIterator	getRecordsBegin ()
ConstRecordIterator	getRecordsEnd () const
RecordIterator	getRecordsEnd ()
ConstRecordIterator	begin () const
RecordIterator	begin ()
ConstRecordIterator	end () const
RecordIterator	end ()

Detailed Description

A data structure for the storage of imported PDB data records (see [CTFILE]).

Member Typedef Documentation

SharedPointer

typedef std::shared_ptr<PDBData> CDPL::Biomol::PDBData::SharedPointer

Record

typedef TypeToDataMap::value_type CDPL::Biomol::PDBData::Record

ConstRecordIterator

typedef TypeToDataMap::const_iterator CDPL::Biomol::PDBData::ConstRecordIterator

RecordIterator

typedef TypeToDataMap::iterator CDPL::Biomol::PDBData::RecordIterator

Member Enumeration Documentation

RecordType

enum CDPL::Biomol::PDBData::RecordType

Enumerator
HEADER
OBSLTE
TITLE
SPLIT
CAVEAT
COMPND
SOURCE
KEYWDS
EXPDTA
AUTHOR
REVDAT
SPRSDE
JRNL
REMARK
DBREF
DBREF1
DBREF2
SEQADV
SEQRES
MODRES
HET
FORMUL
HETNAM
HETSYN
HELIX
SHEET
TURN
SSBOND
LINK
CISPEP
SITE
CRYST1
MTRIX1
MTRIX2
MTRIX3
ORIGX1
ORIGX2
ORIGX3
SCALE1
SCALE2
SCALE3
STRUCTURE_ID
DEPOSITION_DATE
RESOLUTION

Constructor & Destructor Documentation

PDBData() [1/2]

CDPL::Biomol::PDBData::PDBData ( )

inline

PDBData() [2/2]

CDPL::Biomol::PDBData::PDBData ( const PDBData &  other )

inline

Member Function Documentation

clear()

void CDPL::Biomol::PDBData::clear

(

)

getNumRecords()

std::size_t CDPL::Biomol::PDBData::getNumRecords

(

)

const

isEmpty()

bool CDPL::Biomol::PDBData::isEmpty

(

)

const

containsRecord()

bool CDPL::Biomol::PDBData::containsRecord

(

const RecordType &

type

)

const

getRecord() [1/2]

RecordIterator CDPL::Biomol::PDBData::getRecord

(

const RecordType &

type

)

getRecord() [2/2]

ConstRecordIterator CDPL::Biomol::PDBData::getRecord

(

const RecordType &

type

)

const

getData() [1/2]

std::string& CDPL::Biomol::PDBData::getData

(

const RecordType &

type

)

getData() [2/2]

const std::string& CDPL::Biomol::PDBData::getData

(

const RecordType &

type

)

const

removeRecord() [1/2]

void CDPL::Biomol::PDBData::removeRecord

(

const RecordIterator &

it

)

removeRecord() [2/2]

bool CDPL::Biomol::PDBData::removeRecord

(

const RecordType &

type

)

setRecord() [1/2]

RecordIterator CDPL::Biomol::PDBData::setRecord

(

const Record &

rec

)

setRecord() [2/2]

RecordIterator CDPL::Biomol::PDBData::setRecord	(	const RecordType &	type,
		const std::string &	data
	)

getRecordsBegin() [1/2]

ConstRecordIterator CDPL::Biomol::PDBData::getRecordsBegin

(

)

const

getRecordsBegin() [2/2]

RecordIterator CDPL::Biomol::PDBData::getRecordsBegin

(

)

getRecordsEnd() [1/2]

ConstRecordIterator CDPL::Biomol::PDBData::getRecordsEnd

(

)

const

getRecordsEnd() [2/2]

RecordIterator CDPL::Biomol::PDBData::getRecordsEnd

(

)

begin() [1/2]

ConstRecordIterator CDPL::Biomol::PDBData::begin

(

)

const

begin() [2/2]

RecordIterator CDPL::Biomol::PDBData::begin

(

)

end() [1/2]

ConstRecordIterator CDPL::Biomol::PDBData::end

(

)

const

end() [2/2]

RecordIterator CDPL::Biomol::PDBData::end

(

)

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The documentation for this class was generated from the following file:

• PDBData.hpp