CDPL.Chem.MultiSubstructureSearch Class Reference

MultiSubstructureSearch. More...

Inheritance diagram for CDPL.Chem.MultiSubstructureSearch:

Public Member Functions
None	__init__ ()
	Constructs and initializes a MultiSubstructureSearch instance.
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
None	addSubstructure (MolecularGraph molgraph)
int	getNumSubstructures ()
None	clear ()
bool	matches (MolecularGraph target)
None	setup (str expr='')
str	validate (str expr, int max_substr_id)

Properties
	objectID = property(getObjectID)
	numSubstructures = property(getNumSubstructures)

Detailed Description

MultiSubstructureSearch.

Since

1.2

Member Function Documentation

getObjectID()

int CDPL.Chem.MultiSubstructureSearch.getObjectID

(

)

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

Different Python MultiSubstructureSearch 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 MultiSubstructureSearch 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.

addSubstructure()

None CDPL.Chem.MultiSubstructureSearch.addSubstructure

(

MolecularGraph

molgraph

)

Parameters

molgraph

getNumSubstructures()

int CDPL.Chem.MultiSubstructureSearch.getNumSubstructures

(

)

Returns

matches()

bool CDPL.Chem.MultiSubstructureSearch.matches

(

MolecularGraph

target

)

Parameters

target

Returns

setup()

None CDPL.Chem.MultiSubstructureSearch.setup

(

str

expr = ''

)

Parameters

expr

validate()

str CDPL.Chem.MultiSubstructureSearch.validate	(	str	expr,
		int	max_substr_id
	)

Parameters

expr
max_substr_id

Returns