CDPL::Chem::TautomerizationRule Class Reference

TautomerizationRule. More...

#include <TautomerizationRule.hpp>

Inheritance diagram for CDPL::Chem::TautomerizationRule:

Public Types
typedef std::shared_ptr< TautomerizationRule >	SharedPointer

Public Member Functions
virtual	~TautomerizationRule ()
virtual bool	setup (MolecularGraph &parent_molgraph)=0
virtual unsigned int	getID () const =0
virtual bool	generate (Molecule &tautomer)=0
	Generates the next tautomer. More...
virtual SharedPointer	clone () const =0

Detailed Description

TautomerizationRule.

Member Typedef Documentation

SharedPointer

typedef std::shared_ptr<TautomerizationRule> CDPL::Chem::TautomerizationRule::SharedPointer

Constructor & Destructor Documentation

~TautomerizationRule()

virtual CDPL::Chem::TautomerizationRule::~TautomerizationRule ( )

inlinevirtual

Member Function Documentation

setup()

virtual bool CDPL::Chem::TautomerizationRule::setup ( MolecularGraph &  parent_molgraph )

pure virtual

Implemented in CDPL::Chem::PatternBasedTautomerizationRule, and CDPL::Chem::ConjugatedRingBondPatternSwitching.

getID()

virtual unsigned int CDPL::Chem::TautomerizationRule::getID ( ) const

pure virtual

Implemented in CDPL::Chem::PatternBasedTautomerizationRule, and CDPL::Chem::ConjugatedRingBondPatternSwitching.

generate()

virtual bool CDPL::Chem::TautomerizationRule::generate ( Molecule &  tautomer )

pure virtual

Generates the next tautomer.

Parameters

tautomer

The tautomer output molecule object.

Returns

true if a tautomer was generated, false if no more tautomers are available.

Implemented in CDPL::Chem::PatternBasedTautomerizationRule, and CDPL::Chem::ConjugatedRingBondPatternSwitching.

clone()

virtual SharedPointer CDPL::Chem::TautomerizationRule::clone ( ) const

pure virtual

Implemented in CDPL::Chem::PatternBasedTautomerizationRule, and CDPL::Chem::ConjugatedRingBondPatternSwitching.

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The documentation for this class was generated from the following file:

• TautomerizationRule.hpp