CDPL.Chem.FragmentList Class Reference

A data type for the storage of Chem.Fragment objects. More...

Inheritance diagram for CDPL.Chem.FragmentList:

Public Member Functions
None	__init__ ()
	Creates an empty array.
None	__init__ (FragmentList list)
	Initializes a copy of the FragmentList instance list. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
int	getSize ()
	Returns the number of elements stored in the array. More...
bool	isEmpty ()
	Tells whether the array is empty (getSize() == 0). More...
None	resize (int num_elem, Fragment value)
	Inserts or erases elements at the end so that the size becomes num_elem. More...
None	reserve (int num_elem)
	Preallocates memory for (at least) num_elem elements. More...
int	getCapacity ()
	Returns the number of elements for which memory has been allocated. More...
None	clear ()
	Erases all elements.
FragmentList	assign (FragmentList array)
	Replaces the current state of self with a copy of the state of the FragmentList instance array. More...
None	assign (int num_elem, Fragment value)
	This function fills the array with num_elem copies of the given value. More...
None	addElement (Fragment value)
	Inserts a new element at the end of the array. More...
None	addElements (FragmentList values)
None	insertElement (int idx, Fragment value)
	Inserts a new element before the location specified by the index idx. More...
None	insertElements (int idx, int num_elem, Fragment value)
	Inserts num_elem copies of value before the location specified by the index idx. More...
None	insertElements (int index, FragmentList values)
None	popLastElement ()
	Removes the last element of the array. More...
None	removeElement (int idx)
	Removes the element at the position specified by the index idx. More...
None	removeElements (int begin_idx, int end_idx)
Fragment	getFirstElement ()
	Returns a reference to the first element of the array. More...
Fragment	getLastElement ()
	Returns a reference to the last element of the array. More...
Fragment	getElement (int idx)
	Returns a reference to the element at index idx. More...
None	setElement (int idx, Fragment value)
	Assigns a new value to the element specified by the index idx. More...
None	__delitem__ (int idx)
Fragment	__getitem__ (int idx)
int	__len__ ()
None	__setitem__ (int index, Fragment value)
bool	__eq__ (object list)
	Returns the result of the comparison operation self == list. More...
bool	__ne__ (object list)
	Returns the result of the comparison operation self != list. More...

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

Detailed Description

A data type for the storage of Chem.Fragment objects.

Constructor & Destructor Documentation

__init__()

None CDPL.Chem.FragmentList.__init__

(

FragmentList

list

)

Initializes a copy of the FragmentList instance list.

Parameters

list	The FragmentList instance to copy.

Member Function Documentation

getObjectID()

int CDPL.Chem.FragmentList.getObjectID

(

)

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

Different Python FragmentList 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 FragmentList 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.FragmentList.getSize

(

)

Returns the number of elements stored in the array.

Returns

The size of the array.

isEmpty()

bool CDPL.Chem.FragmentList.isEmpty

(

)

Tells whether the array is empty (getSize() == 0).

Returns

True if the array is empty, False otherwise.

resize()

None CDPL.Chem.FragmentList.resize	(	int	num_elem,
		Fragment	value
	)

Inserts or erases elements at the end so that the size becomes num_elem.

Parameters

num_elem	The new size.
value	The value for newly inserted elements.

reserve()

None CDPL.Chem.FragmentList.reserve

(

int

num_elem

)

Preallocates memory for (at least) num_elem elements.

If num_elem is less than or equal to the current capacity, this call has no effect. Otherwise, it is a request for allocation of additional memory. If the request is successful, then the capacity is greater than or equal to num_elem. Otherwise, the capacity is unchanged. In either case, the number of elements will not change.

Parameters

num_elem

The number of elements to reserve memory for.

See also

getCapacity()

getCapacity()

int CDPL.Chem.FragmentList.getCapacity

(

)

Returns the number of elements for which memory has been allocated.

The capacity is always greater than or equal to the number of currently stored elements.

Returns

The current capacity.

assign() [1/2]

FragmentList CDPL.Chem.FragmentList.assign

(

FragmentList

array

)

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

Parameters

array

The FragmentList instance to copy.

Returns

self

assign() [2/2]

None CDPL.Chem.FragmentList.assign	(	int	num_elem,
		Fragment	value
	)

This function fills the array with num_elem copies of the given value.

Note that the assignment completely changes the array and the new size is the same as the number of elements assigned. Old data will be lost.

Parameters

num_elem	The number of elements to be assigned.
value	The value to be assigned.

addElement()

None CDPL.Chem.FragmentList.addElement

(

Fragment

value

)

Inserts a new element at the end of the array.

Parameters

value

The value of the new element.

addElements()

None CDPL.Chem.FragmentList.addElements

(

FragmentList

values

)

Parameters

values

insertElement()

None CDPL.Chem.FragmentList.insertElement	(	int	idx,
		Fragment	value
	)

Inserts a new element before the location specified by the index idx.

Parameters

idx	The location where to insert the new element.
value	The value of the element to insert.

Exceptions

Base.IndexError

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

insertElements() [1/2]

None CDPL.Chem.FragmentList.insertElements	(	int	idx,
		int	num_elem,
		Fragment	value
	)

Inserts num_elem copies of value before the location specified by the index idx.

Parameters

idx	The location where to insert the new elements.
num_elem	The number of elements to insert.
value	The value of the elements to insert.

Exceptions

Base.IndexError

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

insertElements() [2/2]

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

Parameters

index
values

popLastElement()

None CDPL.Chem.FragmentList.popLastElement

(

)

Removes the last element of the array.

Exceptions

Base.OperationFailed

if the array is empty.

removeElement()

None CDPL.Chem.FragmentList.removeElement

(

int

idx

)

Removes the element at the position specified by the index idx.

Parameters

idx	The zero-based index of the element to remove.

Exceptions

Base.IndexError

if the array is empty or idx is not in the range [0, getSize() - 1].

removeElements()

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

Parameters

begin_idx
end_idx

getFirstElement()

Fragment CDPL.Chem.FragmentList.getFirstElement

(

)

Returns a reference to the first element of the array.

Returns

A reference to the first element.

Exceptions

Base.OperationFailed

if the array is empty.

getLastElement()

Fragment CDPL.Chem.FragmentList.getLastElement

(

)

Returns a reference to the last element of the array.

Returns

A reference to the last element.

Exceptions

Base.OperationFailed

if the array is empty.

getElement()

Fragment CDPL.Chem.FragmentList.getElement

(

int

idx

)

Returns a reference to the element at index idx.

The method is equivalent to operator[](std::size_t).

Parameters

idx	The zero-based index of the element.

Returns

A reference to the element.

Exceptions

Base.IndexError

if the array is empty or idx is not in the range [0, getSize() - 1].

setElement()

None CDPL.Chem.FragmentList.setElement	(	int	idx,
		Fragment	value
	)

Assigns a new value to the element specified by the index idx.

Parameters

idx	The zero-based index of the element for which to assign a new value.
value	The new value of the element after assignment.

Exceptions

Base.IndexError

if the array is empty or idx is not in the range [0, getSize() - 1].

__delitem__()

None CDPL.Chem.FragmentList.__delitem__

(

int

idx

)

Parameters

idx

__getitem__()

Fragment CDPL.Chem.FragmentList.__getitem__

(

int

idx

)

Parameters

idx

Returns

__len__()

int CDPL.Chem.FragmentList.__len__

(

)

Returns

__setitem__()

None CDPL.Chem.FragmentList.__setitem__	(	int	index,
		Fragment	value
	)

Parameters

index
value

__eq__()

bool CDPL.Chem.FragmentList.__eq__

(

object

list

)

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

Parameters

list	The object instance to be compared with.

Returns

The result of the comparison operation.

__ne__()

bool CDPL.Chem.FragmentList.__ne__

(

object

list

)

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

Parameters

list	The object instance to be compared with.

Returns

The result of the comparison operation.