CDPL.Biomol.PDBData Class Reference

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

Inheritance diagram for CDPL.Biomol.PDBData:

Classes
class	RecordType
	Identifies a PDB record type. More...

Public Member Functions
None	__init__ ()
	Constructs an empty PDBData instance.
None	__init__ (PDBData data)
	Initializes a copy of the PDBData instance data. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
int	getNumRecords ()
	Returns the number of stored records. More...
bool	isEmpty ()
	Tells whether no records are stored. More...
None	clear ()
	Removes all stored records.
PDBData	assign (PDBData data)
	Replaces the current state of self with a copy of the state of the PDBData instance data. More...
bool	containsRecord (RecordType type)
	Tells whether a record of the given type is stored. More...
str	getData (RecordType type)
	Returns the data string associated with the given record type. More...
bool	removeRecord (RecordType type)
	Removes the record of the given type. More...
None	setRecord (RecordType type, str data)
	Stores a record built from type and data. More...
object	getRecordTypes ()
object	getRecordData ()
object	getRecords ()
int	__len__ ()
str	__getitem__ (RecordType type)
None	__setitem__ (RecordType type, str data)
bool	__delitem__ (RecordType type)
bool	__contains__ (RecordType type)
	Returns the result of the membership test operation type in self. More...

Properties
	objectID = property(getObjectID)
	numRecords = property(getNumRecords)
	recordTypes = property(getRecordTypes)
	recordData = property(getRecordData)
	records = property(getRecords)

Detailed Description

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

Constructor & Destructor Documentation

__init__()

None CDPL.Biomol.PDBData.__init__

(

PDBData

data

)

Initializes a copy of the PDBData instance data.

Parameters

data	The PDBData instance to copy.

Member Function Documentation

getObjectID()

int CDPL.Biomol.PDBData.getObjectID

(

)

Returns the numeric identifier (ID) of the wrapped C++ class instance.

Different Python PDBData instances may reference the same underlying C++ class instance. The commonly used Python expression a is not b thus cannot tell reliably whether the two PDBData instances a and b reference different C++ objects. The numeric identifier returned by this method allows to correctly implement such an identity test via the simple expression a.getObjectID() != b.getObjectID().

Returns

The numeric ID of the internally referenced C++ class instance.

getNumRecords()

int CDPL.Biomol.PDBData.getNumRecords

(

)

Returns the number of stored records.

Returns

The number of records.

isEmpty()

bool CDPL.Biomol.PDBData.isEmpty

(

)

Tells whether no records are stored.

Returns

True if no records are stored, and False otherwise.

assign()

PDBData CDPL.Biomol.PDBData.assign

(

PDBData

data

)

Replaces the current state of self with a copy of the state of the PDBData instance data.

Parameters

data	The PDBData instance to copy.

Returns

self

containsRecord()

bool CDPL.Biomol.PDBData.containsRecord

(

RecordType

type

)

Tells whether a record of the given type is stored.

Parameters

type	The queried record type.

Returns

True if a record of the given type is stored, and False otherwise.

getData()

str CDPL.Biomol.PDBData.getData

(

RecordType

type

)

Returns the data string associated with the given record type.

Parameters

type	The record type whose data is requested.

Returns

A reference to the data string.

Exceptions

Base.ItemNotFound

if no record of the given type is stored.

removeRecord()

bool CDPL.Biomol.PDBData.removeRecord

(

RecordType

type

)

Removes the record of the given type.

Parameters

type	The type of the record to remove.

Returns

True if the record was removed, and False if no matching record existed.

setRecord()

None CDPL.Biomol.PDBData.setRecord	(	RecordType	type,
		str	data
	)

Stores a record built from type and data.

Any pre-existing record of the same type is replaced.

Parameters

type	The record type.
data	The record data string.

Returns

An iterator referencing the stored record.

getRecordTypes()

object CDPL.Biomol.PDBData.getRecordTypes

(

)

Returns

getRecordData()

object CDPL.Biomol.PDBData.getRecordData

(

)

Returns

getRecords()

object CDPL.Biomol.PDBData.getRecords

(

)

Returns

__len__()

int CDPL.Biomol.PDBData.__len__

(

)

Returns

__getitem__()

str CDPL.Biomol.PDBData.__getitem__

(

RecordType

type

)

Parameters

type

Returns

__setitem__()

None CDPL.Biomol.PDBData.__setitem__	(	RecordType	type,
		str	data
	)

Parameters

type
data

__delitem__()

bool CDPL.Biomol.PDBData.__delitem__

(

RecordType

type

)

Parameters

type

Returns

__contains__()

bool CDPL.Biomol.PDBData.__contains__

(

RecordType

type

)

Returns the result of the membership test operation type in self.

Parameters

type	The value to test for membership.

Returns

The result of the membership test operation.