Chemical Data Processing Library Python API - Version 1.1.1
Public Member Functions | Properties | List of all members
CDPL.Chem.TautomerizationRule Class Reference

TautomerizationRule. More...

+ Inheritance diagram for CDPL.Chem.TautomerizationRule:

Public Member Functions

None __init__ ()
 Initializes the TautomerizationRule instance.
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
int getID ()
 
bool setup (MolecularGraph parent_molgraph)
 
bool generate (Molecule tautomer)
 Generates the next tautomer. More...
 
TautomerizationRule clone ()
 

Properties

 objectID = property(getObjectID)
 

Detailed Description

TautomerizationRule.

Member Function Documentation

◆ getObjectID()

int CDPL.Chem.TautomerizationRule.getObjectID ( )

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

Different Python TautomerizationRule 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 TautomerizationRule 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 in CDPL.Chem.PatternBasedTautomerizationRule.

◆ getID()

int CDPL.Chem.TautomerizationRule.getID ( )
Returns

◆ setup()

bool CDPL.Chem.TautomerizationRule.setup ( MolecularGraph  parent_molgraph)
Parameters
parent_molgraph
Returns

◆ generate()

bool CDPL.Chem.TautomerizationRule.generate ( Molecule  tautomer)

Generates the next tautomer.

Parameters
tautomerThe tautomer output molecule object.
Returns
True if a tautomer was generated, False if no more tautomers are available.

◆ clone()

TautomerizationRule CDPL.Chem.TautomerizationRule.clone ( )
Returns