RDKit::MolStandardize::TautomerScoringFunctions Namespace Reference

Functions
RDKIT_MOLSTANDARDIZE_EXPORT int	scoreRings (const ROMol &mol)
RDKIT_MOLSTANDARDIZE_EXPORT int	scoreSubstructs (const ROMol &mol)
RDKIT_MOLSTANDARDIZE_EXPORT int	scoreHeteroHs (const ROMol &mol)
int	scoreTautomer (const ROMol &mol)

Variables
const std::string	tautomerScoringVersion = "1.0.0"

Function Documentation

scoreHeteroHs()

RDKIT_MOLSTANDARDIZE_EXPORT int RDKit::MolStandardize::TautomerScoringFunctions::scoreHeteroHs

(

const ROMol &

mol

)

Referenced by scoreTautomer().

scoreRings()

RDKIT_MOLSTANDARDIZE_EXPORT int RDKit::MolStandardize::TautomerScoringFunctions::scoreRings

(

const ROMol &

mol

)

Referenced by scoreTautomer().

scoreSubstructs()

RDKIT_MOLSTANDARDIZE_EXPORT int RDKit::MolStandardize::TautomerScoringFunctions::scoreSubstructs

(

const ROMol &

mol

)

Referenced by scoreTautomer().

scoreTautomer()

int RDKit::MolStandardize::TautomerScoringFunctions::scoreTautomer ( const ROMol &  mol )

inline

Definition at line 42 of file MolStandardize/Tautomer.h.

References scoreHeteroHs(), scoreRings(), and scoreSubstructs().

Variable Documentation

tautomerScoringVersion

const std::string RDKit::MolStandardize::TautomerScoringFunctions::tautomerScoringVersion = "1.0.0"

Definition at line 36 of file MolStandardize/Tautomer.h.