Chemical Data Processing Library Python API - Version 1.2.0
Public Member Functions | List of all members
CDPL.Chem.DefaultTautomerGenerator Class Reference

DefaultTautomerGenerator. More...

+ Inheritance diagram for CDPL.Chem.DefaultTautomerGenerator:

Public Member Functions

None __init__ ()
 Constructs the DefaultTautomerGenerator instance.
 
None __init__ (DefaultTautomerGenerator gen)
 Initializes a copy of the DefaultTautomerGenerator instance gen. More...
 
- Public Member Functions inherited from CDPL.Chem.TautomerGenerator
None __init__ (TautomerGenerator gen)
 Initializes a copy of the TautomerGenerator instance gen. More...
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
None addTautomerizationRule (TautomerizationRule rule)
 
None removeTautomerizationRule (int idx)
 
TautomerizationRule getTautomerizationRule (int idx)
 
int getNumTautomerizationRules ()
 
None setCallbackFunction (BoolMolecularGraphFunctor func)
 
BoolMolecularGraphFunctor getCallbackFunction ()
 
None setMode (Mode mode)
 
Mode getMode ()
 
None regardStereochemistry (bool regard)
 
bool stereochemistryRegarded ()
 
None regardIsotopes (bool regard)
 
bool isotopesRegarded ()
 
None removeResonanceDuplicates (bool remove)
 
bool resonanceDuplicatesRemoved ()
 
None setCustomSetupFunction (VoidMolecularGraphFunctor func)
 
None generate (MolecularGraph molgraph)
 Generates all unique tautomers of the molecular graph molgraph. More...
 
TautomerGenerator assign (TautomerGenerator gen)
 Replaces the current state of self with a copy of the state of the TautomerGenerator instance gen. More...
 

Additional Inherited Members

- Properties inherited from CDPL.Chem.TautomerGenerator
 objectID = property(getObjectID)
 
 callbackFunction = property(getCallbackFunction, setCallbackFunction)
 
 mode = property(getMode, setMode)
 
 regStereo = property(stereochemistryRegarded, regardStereochemistry)
 
 regIsotopes = property(isotopesRegarded, regardIsotopes)
 
 remResonanceDuplicates = property(getRemResonanceDuplicates, setRemResonanceDuplicates)
 FIXME!
 
 numTautomerizationRules = property(getNumTautomerizationRules)
 

Detailed Description

DefaultTautomerGenerator.

Constructor & Destructor Documentation

◆ __init__()

None CDPL.Chem.DefaultTautomerGenerator.__init__ ( DefaultTautomerGenerator  gen)

Initializes a copy of the DefaultTautomerGenerator instance gen.

Parameters
genThe DefaultTautomerGenerator instance to copy.