CDPL.Chem.CIPConfigurationLabeler Class Reference

CIPConfigurationLabeler. More...

Inheritance diagram for CDPL.Chem.CIPConfigurationLabeler:

Public Member Functions
None	__init__ ()
	Initializes the CIPConfigurationLabeler instance.
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
CIPConfigurationLabeler	assign (CIPConfigurationLabeler labeler)
	Replaces the current state of self with a copy of the state of the CIPConfigurationLabeler instance labeler. More...
None	setup (MolecularGraph molgraph)
int	getLabel (Atom atom)
int	getLabel (Bond bond)

Properties
	objectID = property(getObjectID)

Detailed Description

CIPConfigurationLabeler.

Code is largely based on a Java implementation of the CIP sequence rules by John Mayfield [CIPJM].

Since

1.1

Member Function Documentation

getObjectID()

int CDPL.Chem.CIPConfigurationLabeler.getObjectID

(

)

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

Different Python CIPConfigurationLabeler 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 CIPConfigurationLabeler 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()

CIPConfigurationLabeler CDPL.Chem.CIPConfigurationLabeler.assign

(

CIPConfigurationLabeler

labeler

)

Replaces the current state of self with a copy of the state of the CIPConfigurationLabeler instance labeler.

Parameters

labeler

The CIPConfigurationLabeler instance to copy.

Returns

self

setup()

None CDPL.Chem.CIPConfigurationLabeler.setup

(

MolecularGraph

molgraph

)

Parameters

molgraph

getLabel() [1/2]

int CDPL.Chem.CIPConfigurationLabeler.getLabel

(

Atom

atom

)

Parameters

atom

Returns

getLabel() [2/2]

int CDPL.Chem.CIPConfigurationLabeler.getLabel

(

Bond

bond

)

Parameters

bond

Returns