CDPL.Chem.MatchConstraintList Class Reference

Data structure storing a set of Chem.MatchConstraint objects together with a logical type. More...

Inheritance diagram for CDPL.Chem.MatchConstraintList:

Classes
class	Type
	Defines constants that describe the logical type of the match constraint list. More...

Public Member Functions
None	__init__ (MatchConstraintList list)
	Initializes a copy of the MatchConstraintList instance list. More...
None	__init__ (Type type=CDPL.Chem.Type.AND_LIST)
	Constructs the MatchConstraintList instance with the specified logical type. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
int	getSize ()
bool	isEmpty ()
None	resize (int num_elem, MatchConstraint value)
None	reserve (int num_elem)
int	getCapacity ()
None	clear ()
MatchConstraintList	assign (MatchConstraintList array)
	Replaces the current state of self with a copy of the state of the MatchConstraintList instance array. More...
None	assign (int num_elem, MatchConstraint value)
None	addElement (MatchConstraint value)
None	addElement (int id, Relation rel)
	Appends a new Chem.MatchConstraint element with the given identifier and relational constraint on the values of matching query/target attribute pairs. More...
None	addElement (int id, Relation rel, Base.Any val)
	Appends a new Chem.MatchConstraint element with the given identifier, relational constraint on the values of matching query/target attribute pairs and value of the query attribute. More...
None	addElements (MatchConstraintList values)
None	insertElement (int idx, MatchConstraint value)
None	insertElements (int idx, int num_elem, MatchConstraint value)
None	insertElements (int index, MatchConstraintList values)
None	popLastElement ()
None	removeElement (int idx)
None	removeElements (int begin_idx, int end_idx)
MatchConstraint	getFirstElement ()
MatchConstraint	getLastElement ()
MatchConstraint	getElement (int idx)
None	setElement (int idx, MatchConstraint value)
Type	getType ()
	Returns the logical type of the match constraint list. More...
None	setType (Type type)
	Sets the logical type of the match constraint list. More...
None	__delitem__ (int idx)
MatchConstraint	__getitem__ (int idx)
int	__len__ ()
None	__setitem__ (int index, MatchConstraint value)
str	__str__ ()
	Returns a string representation of the MatchConstraintList instance. More...

Properties
	objectID = property(getObjectID)
	size = property(getSize)
	type = property(getType, setType)

Detailed Description

Data structure storing a set of Chem.MatchConstraint objects together with a logical type.

Match constraint lists are usually stored as object properties (e.g. Chem.AtomProperty.MATCH_CONSTRAINTS) and evaluated by code building corresponding Chem.MatchExpression implementation instances for substructure searching purposes.

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.Chem.MatchConstraintList.__init__

(

MatchConstraintList

list

)

Initializes a copy of the MatchConstraintList instance list.

Parameters

list	The MatchConstraintList instance to copy.

__init__() [2/2]

None CDPL.Chem.MatchConstraintList.__init__

(

Type

type = CDPL.Chem.Type.AND_LIST

)

Constructs the MatchConstraintList instance with the specified logical type.

Parameters

type	The logical type of the match constraint list.

Member Function Documentation

getObjectID()

int CDPL.Chem.MatchConstraintList.getObjectID

(

)

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

Different Python MatchConstraintList 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 MatchConstraintList 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()

MatchConstraintList CDPL.Chem.MatchConstraintList.assign

(

MatchConstraintList

array

)

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

Parameters

array

The MatchConstraintList instance to copy.

Returns

self

addElement() [1/2]

None CDPL.Chem.MatchConstraintList.addElement	(	int	id,
		Relation	rel
	)

Appends a new Chem.MatchConstraint element with the given identifier and relational constraint on the values of matching query/target attribute pairs.

Parameters

id	The identifier of the match constraint.
rel	The relational constraint on the values of matching query/target attribute pairs.

addElement() [2/2]

None CDPL.Chem.MatchConstraintList.addElement	(	int	id,
		Relation	rel,
		Base.Any	val
	)

Appends a new Chem.MatchConstraint element with the given identifier, relational constraint on the values of matching query/target attribute pairs and value of the query attribute.

Parameters

id	The identifier of the match constraint.
rel	The relational constraint on the values of matching query/target attribute pairs.
val	The value of the query attribute.

getType()

Type CDPL.Chem.MatchConstraintList.getType

(

)

Returns the logical type of the match constraint list.

Returns

The logical type of the match constraint list.

setType()

None CDPL.Chem.MatchConstraintList.setType

(

Type

type

)

Sets the logical type of the match constraint list.

Parameters

type	The logical type of the match constraint list.

__str__()

str CDPL.Chem.MatchConstraintList.__str__

(

)

Returns a string representation of the MatchConstraintList instance.

Returns

The generated string representation.