CDPL.Chem.ConjugatedRingBondPatternSwitching Class Reference

Chem.TautomerizationRule implementation that enumerates tautomers obtained by switching the single/double bond pattern of conjugated rings (e.g. More...

Inheritance diagram for CDPL.Chem.ConjugatedRingBondPatternSwitching:

Public Member Functions
None	__init__ ()
	Initializes the ConjugatedRingBondPatternSwitching instance.
None	__init__ (ConjugatedRingBondPatternSwitching rule)
	Initializes a copy of the ConjugatedRingBondPatternSwitching instance rule. More...
ConjugatedRingBondPatternSwitching	assign (ConjugatedRingBondPatternSwitching rule)
	Replaces the current state of self with a copy of the state of the ConjugatedRingBondPatternSwitching instance rule. More...
Public Member Functions inherited from CDPL.Chem.TautomerizationRule
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
int	getID ()
	Returns the rule identifier. More...
bool	setup (MolecularGraph parent_molgraph)
	Performs rule-specific setup work for the given molecular graph that shall be tautomerized. More...
bool	generate (Molecule tautomer)
	Generates the next tautomer of the parent molecular graph and stores it in molecule. More...
TautomerizationRule	clone ()
	Returns a deep copy of this rule instance. More...

Additional Inherited Members
Properties inherited from CDPL.Chem.TautomerizationRule
	objectID = property(getObjectID)

Detailed Description

Chem.TautomerizationRule implementation that enumerates tautomers obtained by switching the single/double bond pattern of conjugated rings (e.g.

the two Kekulé forms of benzene).

Since

1.3

Constructor & Destructor Documentation

__init__()

None CDPL.Chem.ConjugatedRingBondPatternSwitching.__init__

(

ConjugatedRingBondPatternSwitching

rule

)

Initializes a copy of the ConjugatedRingBondPatternSwitching instance rule.

Parameters

rule	The ConjugatedRingBondPatternSwitching instance to copy.

Member Function Documentation

assign()

ConjugatedRingBondPatternSwitching CDPL.Chem.ConjugatedRingBondPatternSwitching.assign

(

ConjugatedRingBondPatternSwitching

rule

)

Replaces the current state of self with a copy of the state of the ConjugatedRingBondPatternSwitching instance rule.

Parameters

rule	The ConjugatedRingBondPatternSwitching instance to copy.

Returns

self