CDPL.Chem.PatternAtomTyper Class Reference

PatternAtomTyper. More...

Inheritance diagram for CDPL.Chem.PatternAtomTyper:

Classes
class	Pattern

Public Member Functions
None	__init__ ()
	Initializes the PatternAtomTyper instance.
None	__init__ (PatternAtomTyper typer)
	Initializes a copy of the PatternAtomTyper instance typer. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
None	addPattern (MolecularGraph structure, int atom_label=0, int priority=0, bool all_matches=True, bool unique_matches=False)
None	addPattern (Pattern ptn)
Pattern	getPattern (int idx)
None	removePattern (int idx)
None	clear ()
int	getNumPatterns ()
int	getAtomLabel (int idx)
int	getPatternIndex (int idx)
bool	hasAtomLabel (int idx)
None	execute (MolecularGraph molgraph)
PatternAtomTyper	assign (PatternAtomTyper typer)
	Replaces the current state of self with a copy of the state of the PatternAtomTyper instance typer. More...

Properties
	objectID = property(getObjectID)
	numPatterns = property(getNumPatterns)

Detailed Description

PatternAtomTyper.

Constructor & Destructor Documentation

__init__()

None CDPL.Chem.PatternAtomTyper.__init__

(

PatternAtomTyper

typer

)

Initializes a copy of the PatternAtomTyper instance typer.

Parameters

typer

The PatternAtomTyper instance to copy.

Member Function Documentation

getObjectID()

int CDPL.Chem.PatternAtomTyper.getObjectID

(

)

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

Different Python PatternAtomTyper 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 PatternAtomTyper 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.

addPattern() [1/2]

None CDPL.Chem.PatternAtomTyper.addPattern	(	MolecularGraph	structure,
		int	atom_label = 0,
		int	priority = 0,
		bool	all_matches = True,
		bool	unique_matches = False
	)

Parameters

structure
atom_label
priority
all_matches
unique_matches

addPattern() [2/2]

None CDPL.Chem.PatternAtomTyper.addPattern

(

Pattern

ptn

)

Parameters

ptn

getPattern()

Pattern CDPL.Chem.PatternAtomTyper.getPattern

(

int

idx

)

Parameters

idx

Returns

removePattern()

None CDPL.Chem.PatternAtomTyper.removePattern

(

int

idx

)

Parameters

idx

getNumPatterns()

int CDPL.Chem.PatternAtomTyper.getNumPatterns

(

)

Returns

getAtomLabel()

int CDPL.Chem.PatternAtomTyper.getAtomLabel

(

int

idx

)

Parameters

idx

Returns

getPatternIndex()

int CDPL.Chem.PatternAtomTyper.getPatternIndex

(

int

idx

)

Parameters

idx

Returns

hasAtomLabel()

bool CDPL.Chem.PatternAtomTyper.hasAtomLabel

(

int

idx

)

Parameters

idx

Returns

execute()

None CDPL.Chem.PatternAtomTyper.execute

(

MolecularGraph

molgraph

)

Parameters

molgraph

assign()

PatternAtomTyper CDPL.Chem.PatternAtomTyper.assign

(

PatternAtomTyper

typer

)

Replaces the current state of self with a copy of the state of the PatternAtomTyper instance typer.

Parameters

typer

The PatternAtomTyper instance to copy.

Returns

self