RDKit::MolStandardize::TautomerEnumeratorResult Class Reference

Contains results of tautomer enumeration. More...

#include <Tautomer.h>

Classes
class	const_iterator

Public Member Functions
	TautomerEnumeratorResult ()
	TautomerEnumeratorResult (const TautomerEnumeratorResult &other)
const const_iterator	begin () const
const const_iterator	end () const
size_t	size () const
bool	empty () const
const ROMOL_SPTR &	at (size_t pos) const
const ROMOL_SPTR &	operator[] (size_t pos) const
const boost::dynamic_bitset &	modifiedAtoms () const
const boost::dynamic_bitset &	modifiedBonds () const
TautomerEnumeratorStatus	status () const
std::vector< ROMOL_SPTR >	tautomers () const
std::vector< ROMOL_SPTR >	operator() () const
std::vector< std::string >	smiles () const
const SmilesTautomerMap &	smilesTautomerMap () const

Friends
class	TautomerEnumerator

Detailed Description

Contains results of tautomer enumeration.

Definition at line 125 of file MolStandardize/Tautomer.h.

Constructor & Destructor Documentation

TautomerEnumeratorResult() [1/2]

RDKit::MolStandardize::TautomerEnumeratorResult::TautomerEnumeratorResult ( )

inline

Definition at line 169 of file MolStandardize/Tautomer.h.

References RDKit::MolStandardize::Completed.

Referenced by TautomerEnumeratorResult().

TautomerEnumeratorResult() [2/2]

RDKit::MolStandardize::TautomerEnumeratorResult::TautomerEnumeratorResult ( const TautomerEnumeratorResult & other )

inline

Definition at line 170 of file MolStandardize/Tautomer.h.

References TautomerEnumeratorResult().

Member Function Documentation

at()

const ROMOL_SPTR & RDKit::MolStandardize::TautomerEnumeratorResult::at ( size_t pos ) const

inline

Definition at line 183 of file MolStandardize/Tautomer.h.

References PRECONDITION.

Referenced by operator[]().

begin()

const const_iterator RDKit::MolStandardize::TautomerEnumeratorResult::begin ( ) const

inline

Definition at line 177 of file MolStandardize/Tautomer.h.

empty()

bool RDKit::MolStandardize::TautomerEnumeratorResult::empty ( ) const

inline

Definition at line 182 of file MolStandardize/Tautomer.h.

end()

const const_iterator RDKit::MolStandardize::TautomerEnumeratorResult::end ( ) const

inline

Definition at line 180 of file MolStandardize/Tautomer.h.

modifiedAtoms()

const boost::dynamic_bitset & RDKit::MolStandardize::TautomerEnumeratorResult::modifiedAtoms ( ) const

inline

Definition at line 188 of file MolStandardize/Tautomer.h.

modifiedBonds()

const boost::dynamic_bitset & RDKit::MolStandardize::TautomerEnumeratorResult::modifiedBonds ( ) const

inline

Definition at line 191 of file MolStandardize/Tautomer.h.

operator()()

std::vector< ROMOL_SPTR > RDKit::MolStandardize::TautomerEnumeratorResult::operator() ( ) const

inline

Definition at line 203 of file MolStandardize/Tautomer.h.

References tautomers().

operator[]()

const ROMOL_SPTR & RDKit::MolStandardize::TautomerEnumeratorResult::operator[] ( size_t pos ) const

inline

Definition at line 187 of file MolStandardize/Tautomer.h.

References at().

size()

size_t RDKit::MolStandardize::TautomerEnumeratorResult::size ( ) const

inline

Definition at line 181 of file MolStandardize/Tautomer.h.

smiles()

std::vector< std::string > RDKit::MolStandardize::TautomerEnumeratorResult::smiles ( ) const

inline

Definition at line 204 of file MolStandardize/Tautomer.h.

smilesTautomerMap()

const SmilesTautomerMap & RDKit::MolStandardize::TautomerEnumeratorResult::smilesTautomerMap ( ) const

inline

Definition at line 212 of file MolStandardize/Tautomer.h.

status()

TautomerEnumeratorStatus RDKit::MolStandardize::TautomerEnumeratorResult::status ( ) const

inline

Definition at line 194 of file MolStandardize/Tautomer.h.

tautomers()

std::vector< ROMOL_SPTR > RDKit::MolStandardize::TautomerEnumeratorResult::tautomers ( ) const

inline

Definition at line 195 of file MolStandardize/Tautomer.h.

Referenced by operator()().

Friends And Related Symbol Documentation

TautomerEnumerator

friend class TautomerEnumerator

friend

Definition at line 126 of file MolStandardize/Tautomer.h.

References TautomerEnumerator.

Referenced by TautomerEnumerator.

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

• MolStandardize/Tautomer.h