RDKit
Open-source cheminformatics and machine learning.
RDKit::MolStandardize::Tautomer Class Reference

#include <Tautomer.h>

Public Member Functions

 Tautomer ()
 
 Tautomer (const ROMOL_SPTR &t, const ROMOL_SPTR &k, size_t a=0, size_t b=0)
 

Public Attributes

ROMOL_SPTR tautomer
 
ROMOL_SPTR kekulized
 

Friends

class TautomerEnumerator
 

Detailed Description

Definition at line 53 of file MolStandardize/Tautomer.h.

Constructor & Destructor Documentation

◆ Tautomer() [1/2]

RDKit::MolStandardize::Tautomer::Tautomer ( )
inline

Definition at line 57 of file MolStandardize/Tautomer.h.

◆ Tautomer() [2/2]

RDKit::MolStandardize::Tautomer::Tautomer ( const ROMOL_SPTR t,
const ROMOL_SPTR k,
size_t  a = 0,
size_t  b = 0 
)
inline

Definition at line 58 of file MolStandardize/Tautomer.h.

Friends And Related Function Documentation

◆ TautomerEnumerator

friend class TautomerEnumerator
friend

Definition at line 54 of file MolStandardize/Tautomer.h.

Member Data Documentation

◆ kekulized

ROMOL_SPTR RDKit::MolStandardize::Tautomer::kekulized

Definition at line 64 of file MolStandardize/Tautomer.h.

◆ tautomer

ROMOL_SPTR RDKit::MolStandardize::Tautomer::tautomer

Definition at line 63 of file MolStandardize/Tautomer.h.


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