CDPL.Chem.StringDataBlock Class Reference

An array of Chem.StringDataBlockEntry objects used to store the structure or reaction data block of a STRING SD- or RD-File data record (see [CTFILE]). More...

Inheritance diagram for CDPL.Chem.StringDataBlock:

Public Member Functions
None	__init__ ()
	Initializes the StringDataBlock instance.
None	__init__ (StringDataBlock data_block)
	Initializes a copy of the StringDataBlock instance data_block. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
int	getSize ()
bool	isEmpty ()
None	resize (int num_elem, StringDataBlockEntry value)
None	reserve (int num_elem)
int	getCapacity ()
None	clear ()
StringDataBlock	assign (StringDataBlock array)
	Replaces the current state of self with a copy of the state of the StringDataBlock instance array. More...
None	assign (int num_elem, StringDataBlockEntry value)
None	addElement (StringDataBlockEntry value)
None	addElements (StringDataBlock values)
None	insertElement (int idx, StringDataBlockEntry value)
None	insertElements (int idx, int num_elem, StringDataBlockEntry value)
None	insertElements (int index, StringDataBlock values)
None	popLastElement ()
None	removeElement (int idx)
None	removeElements (int begin_idx, int end_idx)
StringDataBlockEntry	getFirstElement ()
StringDataBlockEntry	getLastElement ()
StringDataBlockEntry	getElement (int idx)
None	setElement (int idx, StringDataBlockEntry value)
None	addEntry (str header, str data)
None	__delitem__ (int idx)
StringDataBlockEntry	__getitem__ (int idx)
int	__len__ ()
None	__setitem__ (int index, StringDataBlockEntry value)
bool	__eq__ (object data_block)
	Returns the result of the comparison operation self == data_block. More...
bool	__ne__ (object data_block)
	Returns the result of the comparison operation self != data_block. More...

Properties
	objectID = property(getObjectID)
	size = property(getSize)

Detailed Description

An array of Chem.StringDataBlockEntry objects used to store the structure or reaction data block of a STRING SD- or RD-File data record (see [CTFILE]).

Constructor & Destructor Documentation

__init__()

None CDPL.Chem.StringDataBlock.__init__

(

StringDataBlock

data_block

)

Initializes a copy of the StringDataBlock instance data_block.

Parameters

data_block

The StringDataBlock instance to copy.

Member Function Documentation

getObjectID()

int CDPL.Chem.StringDataBlock.getObjectID

(

)

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

Different Python StringDataBlock 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 StringDataBlock 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.

getSize()

int CDPL.Chem.StringDataBlock.getSize

(

)

Returns

isEmpty()

bool CDPL.Chem.StringDataBlock.isEmpty

(

)

Returns

resize()

None CDPL.Chem.StringDataBlock.resize	(	int	num_elem,
		StringDataBlockEntry	value
	)

Parameters

num_elem
value

reserve()

None CDPL.Chem.StringDataBlock.reserve

(

int

num_elem

)

Parameters

num_elem

getCapacity()

int CDPL.Chem.StringDataBlock.getCapacity

(

)

Returns

assign() [1/2]

StringDataBlock CDPL.Chem.StringDataBlock.assign

(

StringDataBlock

array

)

Replaces the current state of self with a copy of the state of the StringDataBlock instance array.

Parameters

array

The StringDataBlock instance to copy.

Returns

self

assign() [2/2]

None CDPL.Chem.StringDataBlock.assign	(	int	num_elem,
		StringDataBlockEntry	value
	)

Parameters

num_elem
value

addElement()

None CDPL.Chem.StringDataBlock.addElement

(

StringDataBlockEntry

value

)

Parameters

value

addElements()

None CDPL.Chem.StringDataBlock.addElements

(

StringDataBlock

values

)

Parameters

values

insertElement()

None CDPL.Chem.StringDataBlock.insertElement	(	int	idx,
		StringDataBlockEntry	value
	)

Parameters

idx
value

insertElements() [1/2]

None CDPL.Chem.StringDataBlock.insertElements	(	int	idx,
		int	num_elem,
		StringDataBlockEntry	value
	)

Parameters

idx
num_elem
value

insertElements() [2/2]

None CDPL.Chem.StringDataBlock.insertElements	(	int	index,
		StringDataBlock	values
	)

Parameters

index
values

removeElement()

None CDPL.Chem.StringDataBlock.removeElement

(

int

idx

)

Parameters

idx

removeElements()

None CDPL.Chem.StringDataBlock.removeElements	(	int	begin_idx,
		int	end_idx
	)

Parameters

begin_idx
end_idx

getFirstElement()

StringDataBlockEntry CDPL.Chem.StringDataBlock.getFirstElement

(

)

Returns

getLastElement()

StringDataBlockEntry CDPL.Chem.StringDataBlock.getLastElement

(

)

Returns

getElement()

StringDataBlockEntry CDPL.Chem.StringDataBlock.getElement

(

int

idx

)

Parameters

idx

Returns

setElement()

None CDPL.Chem.StringDataBlock.setElement	(	int	idx,
		StringDataBlockEntry	value
	)

Parameters

idx
value

addEntry()

None CDPL.Chem.StringDataBlock.addEntry	(	str	header,
		str	data
	)

Parameters

header
data

__delitem__()

None CDPL.Chem.StringDataBlock.__delitem__

(

int

idx

)

Parameters

idx

__getitem__()

StringDataBlockEntry CDPL.Chem.StringDataBlock.__getitem__

(

int

idx

)

Parameters

idx

Returns

__len__()

int CDPL.Chem.StringDataBlock.__len__

(

)

Returns

__setitem__()

None CDPL.Chem.StringDataBlock.__setitem__	(	int	index,
		StringDataBlockEntry	value
	)

Parameters

index
value

__eq__()

bool CDPL.Chem.StringDataBlock.__eq__

(

object

data_block

)

Returns the result of the comparison operation self == data_block.

Parameters

data_block

The object instance to be compared with.

Returns

The result of the comparison operation.

__ne__()

bool CDPL.Chem.StringDataBlock.__ne__

(

object

data_block

)

Returns the result of the comparison operation self != data_block.

Parameters

data_block

The object instance to be compared with.

Returns

The result of the comparison operation.