Chemical Data Processing Library Python API - Version 1.1.1
Classes | Public Member Functions | Properties | List of all members
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
ruleThe 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
ruleThe PatternBasedTautomerizationRule instance to copy.
Returns
self