CDPL::Chem::PatternBasedTautomerizationRule Class Reference

PatternBasedTautomerizationRule. More...

#include <PatternBasedTautomerizationRule.hpp>

Inheritance diagram for CDPL::Chem::PatternBasedTautomerizationRule:

Classes
struct	BondOrderChange

Public Types
typedef std::shared_ptr< PatternBasedTautomerizationRule >	SharedPointer
Public Types inherited from CDPL::Chem::TautomerizationRule
typedef std::shared_ptr< TautomerizationRule >	SharedPointer

Public Member Functions
	PatternBasedTautomerizationRule (unsigned int rule_id)
	PatternBasedTautomerizationRule (const PatternBasedTautomerizationRule &rule)
PatternBasedTautomerizationRule &	operator= (const PatternBasedTautomerizationRule &rule)
template<typename Iter >
void	addTransformationPattern (const MolecularGraph::SharedPointer &pattern, Iter bond_chgs_beg, Iter bond_chgs_end)
void	addExcludePattern (const MolecularGraph::SharedPointer &pattern)
void	addExcludePatterns (const PatternBasedTautomerizationRule &rule)
void	clearExcludePatterns ()
bool	setup (MolecularGraph &parent_molgraph)
unsigned int	getID () const
bool	generate (Molecule &tautomer)
	Generates the next tautomer. More...
TautomerizationRule::SharedPointer	clone () const
Public Member Functions inherited from CDPL::Chem::TautomerizationRule
virtual	~TautomerizationRule ()

Detailed Description

PatternBasedTautomerizationRule.

Member Typedef Documentation

SharedPointer

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

Constructor & Destructor Documentation

PatternBasedTautomerizationRule() [1/2]

CDPL::Chem::PatternBasedTautomerizationRule::PatternBasedTautomerizationRule

(

unsigned int

rule_id

)

PatternBasedTautomerizationRule() [2/2]

CDPL::Chem::PatternBasedTautomerizationRule::PatternBasedTautomerizationRule

(

const PatternBasedTautomerizationRule &

rule

)

Member Function Documentation

operator=()

PatternBasedTautomerizationRule& CDPL::Chem::PatternBasedTautomerizationRule::operator=

(

const PatternBasedTautomerizationRule &

rule

)

addTransformationPattern()

template<typename Iter >

void CDPL::Chem::PatternBasedTautomerizationRule::addTransformationPattern ( const MolecularGraph::SharedPointer &  pattern, Iter  bond_chgs_beg, Iter  bond_chgs_end  )

inline

addExcludePattern()

void CDPL::Chem::PatternBasedTautomerizationRule::addExcludePattern

(

const MolecularGraph::SharedPointer &

pattern

)

addExcludePatterns()

void CDPL::Chem::PatternBasedTautomerizationRule::addExcludePatterns

(

const PatternBasedTautomerizationRule &

rule

)

clearExcludePatterns()

void CDPL::Chem::PatternBasedTautomerizationRule::clearExcludePatterns

(

)

setup()

bool CDPL::Chem::PatternBasedTautomerizationRule::setup ( MolecularGraph &  parent_molgraph )

virtual

Implements CDPL::Chem::TautomerizationRule.

getID()

unsigned int CDPL::Chem::PatternBasedTautomerizationRule::getID ( ) const

virtual

Implements CDPL::Chem::TautomerizationRule.

generate()

bool CDPL::Chem::PatternBasedTautomerizationRule::generate ( Molecule &  tautomer )

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.

Implements CDPL::Chem::TautomerizationRule.

clone()

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

virtual

Implements CDPL::Chem::TautomerizationRule.

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

• PatternBasedTautomerizationRule.hpp