CDPL.Chem.StringDataBlock Class Reference

Array of Chem.StringDataBlockEntry instances. More...

Inheritance diagram for CDPL.Chem.StringDataBlock:

Public Member Functions
None	__init__ ()
	Contructs the StringDataBlock instance.
None	__init__ (StringDataBlock data_block)
	Contructs 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 with a copy of the state of the StringDataBlock instance array. More...
None	assign (int num_elem, StringDataBlockEntry value)
	Replaces the current state with a copy of the state of the int instance num_elem. More...
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 idx, StringDataBlock values)
	Insert the elements of values before the location specified by the index idx. More...
None	popLastElement ()
None	removeElement (int idx)
None	removeElements (int begin_idx, int end_idx)
	Removes the elements at indices in the range [begin_idx, end_idx). More...
StringDataBlockEntry	getFirstElement ()
StringDataBlockEntry	getLastElement ()
StringDataBlockEntry	getElement (int idx)
None	setElement (int idx, StringDataBlockEntry value)
None	addEntry (str header, str data)
	Appends a new entry with the supplied data header and content to the block. More...
None	__delitem__ (int idx)
StringDataBlockEntry	__getitem__ (int idx)
int	__len__ ()
None	__setitem__ (int idx, 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

Array of Chem.StringDataBlockEntry instances.

Used to store the structure or reaction data block of an MDL SD- or RD-File record (see [CTFILE]).

Constructor & Destructor Documentation

__init__()

None CDPL.Chem.StringDataBlock.__init__

(

StringDataBlock

data_block

)

Contructs 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.

assign() [1/2]

StringDataBlock CDPL.Chem.StringDataBlock.assign

(

StringDataBlock

array

)

Replaces the current state 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
	)

Replaces the current state with a copy of the state of the int instance num_elem.

Parameters

num_elem

The int instance to copy.

Returns

self.

insertElements()

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

Insert the elements of values before the location specified by the index idx.

Parameters

idx	The zero-based insertion index.
values	The StringDataBlock instance providing the elements to insert.

Exceptions

Base.IndexError

if idx is not in the range [0, getSize()].

removeElements()

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

Removes the elements at indices in the range [begin_idx, end_idx).

Parameters

begin_idx	The zero-based index range start.
end_idx	The zero-based index range end.

Exceptions

Base.IndexError

if begin_idx or end_idx is not in the range [0, getSize()] or end_idx < begin_idx.

addEntry()

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

Appends a new entry with the supplied data header and content to the block.

Parameters

header	The data header of the new entry.
data	The data content of the new entry.

__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.