CDPL.Chem.PatternBasedTautomerizationRule Class Reference

PatternBasedTautomerizationRule. More...

Inheritance diagram for CDPL.Chem.PatternBasedTautomerizationRule:

Classes
class	BondOrderChange

Public Member Functions
None	__init__ (int id)
	Initializes the PatternBasedTautomerizationRule instance. More...
None	__init__ (PatternBasedTautomerizationRule rule)
	Initializes a copy of the PatternBasedTautomerizationRule instance rule. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
None	addTransformationPattern (MolecularGraph pattern, object bond_chgs)
None	addExcludePattern (MolecularGraph pattern)
None	addExcludePatterns (PatternBasedTautomerizationRule rule)
None	clearExcludePatterns ()
PatternBasedTautomerizationRule	assign (PatternBasedTautomerizationRule rule)
	Replaces the current state of self with a copy of the state of the PatternBasedTautomerizationRule instance rule. More...
Public Member Functions inherited from CDPL.Chem.TautomerizationRule
None	__init__ ()
	Initializes the TautomerizationRule instance.
int	getID ()
bool	setup (MolecularGraph parent_molgraph)
bool	generate (Molecule tautomer)
	Generates the next tautomer. More...
TautomerizationRule	clone ()

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

Detailed Description

PatternBasedTautomerizationRule.

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.Chem.PatternBasedTautomerizationRule.__init__

(

int

id

)

Initializes the PatternBasedTautomerizationRule instance.

Parameters

id

__init__() [2/2]

None CDPL.Chem.PatternBasedTautomerizationRule.__init__

(

PatternBasedTautomerizationRule

rule

)

Initializes a copy of the PatternBasedTautomerizationRule instance rule.

Parameters

rule	The PatternBasedTautomerizationRule instance to copy.

Member Function Documentation

getObjectID()

int CDPL.Chem.PatternBasedTautomerizationRule.getObjectID

(

)

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

Different Python PatternBasedTautomerizationRule 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 PatternBasedTautomerizationRule 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.

Reimplemented from CDPL.Chem.TautomerizationRule.

addTransformationPattern()

None CDPL.Chem.PatternBasedTautomerizationRule.addTransformationPattern	(	MolecularGraph	pattern,
		object	bond_chgs
	)

Parameters

pattern
bond_chgs

addExcludePattern()

None CDPL.Chem.PatternBasedTautomerizationRule.addExcludePattern

(

MolecularGraph

pattern

)

Parameters

pattern

addExcludePatterns()

None CDPL.Chem.PatternBasedTautomerizationRule.addExcludePatterns

(

PatternBasedTautomerizationRule

rule

)

Parameters

rule

assign()

PatternBasedTautomerizationRule CDPL.Chem.PatternBasedTautomerizationRule.assign

(

PatternBasedTautomerizationRule

rule

)

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

Parameters

rule	The PatternBasedTautomerizationRule instance to copy.

Returns

self