Inheritance diagram for CDPL::Chem::DefaultTautomerGenerator:

Public Member Functions
	DefaultTautomerGenerator ()
	Constructs the `DefaultTautomerGenerator` instance. More...

Public Member Functions inherited from CDPL::Chem::TautomerGenerator
	TautomerGenerator ()
	Constructs the `TautomerGenerator` instance. More...

	TautomerGenerator (const TautomerGenerator &gen)

virtual	~TautomerGenerator ()

TautomerGenerator &	operator= (const TautomerGenerator &gen)

void	addTautomerizationRule (const TautomerizationRule::SharedPointer &rule)

const TautomerizationRule::SharedPointer &	getTautomerizationRule (std::size_t idx) const

void	removeTautomerizationRule (std::size_t idx)

std::size_t	getNumTautomerizationRules () const

void	setCallbackFunction (const CallbackFunction &func)

const CallbackFunction &	getCallbackFunction () const

void	setMode (Mode mode)

Mode	getMode () const

void	regardStereochemistry (bool regard)

bool	stereochemistryRegarded () const

void	regardIsotopes (bool regard)

bool	isotopesRegarded () const

void	removeResonanceDuplicates (bool remove)

bool	resonanceDuplicatesRemoved () const

void	setCustomSetupFunction (const CustomSetupFunction &func)

void	generate (const MolecularGraph &molgraph)
	Generates all unique tautomers of the molecular graph molgraph. More...

Additional Inherited Members
Public Types inherited from CDPL::Chem::TautomerGenerator
enum	Mode { TOPOLOGICALLY_UNIQUE, GEOMETRICALLY_UNIQUE, EXHAUSTIVE }

typedef std::shared_ptr< TautomerGenerator >	SharedPointer

typedef std::function< bool(MolecularGraph &)>	CallbackFunction

typedef std::function< void(MolecularGraph &)>	CustomSetupFunction

Detailed Description

Constructor & Destructor Documentation

CDPL::Chem::DefaultTautomerGenerator::DefaultTautomerGenerator ( )

Constructs the DefaultTautomerGenerator instance.

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