RDKit::SubstanceGroupChecks Namespace Reference

Functions
RDKIT_GRAPHMOL_EXPORT bool	isValidType (const std::string &type)
RDKIT_GRAPHMOL_EXPORT bool	isValidSubType (const std::string &type)
RDKIT_GRAPHMOL_EXPORT bool	isValidConnectType (const std::string &type)
RDKIT_GRAPHMOL_EXPORT bool	isSubstanceGroupIdFree (const ROMol &mol, unsigned int id)

Variables
const std::vector< std::string >	sGroupTypes
const std::vector< std::string >	sGroupSubtypes = {"ALT", "RAN", "BLO"}
const std::vector< std::string >	sGroupConnectTypes = {"HH", "HT", "EU"}

Function Documentation

isSubstanceGroupIdFree()

RDKIT_GRAPHMOL_EXPORT bool RDKit::SubstanceGroupChecks::isSubstanceGroupIdFree	(	const ROMol &	mol,
		unsigned int	id )

isValidConnectType()

RDKIT_GRAPHMOL_EXPORT bool RDKit::SubstanceGroupChecks::isValidConnectType

(

const std::string &

type

)

isValidSubType()

RDKIT_GRAPHMOL_EXPORT bool RDKit::SubstanceGroupChecks::isValidSubType

(

const std::string &

type

)

isValidType()

RDKIT_GRAPHMOL_EXPORT bool RDKit::SubstanceGroupChecks::isValidType

(

const std::string &

type

)

Variable Documentation

sGroupConnectTypes

const std::vector<std::string> RDKit::SubstanceGroupChecks::sGroupConnectTypes = {"HH", "HT", "EU"}

Definition at line 252 of file SubstanceGroup.h.

sGroupSubtypes

const std::vector<std::string> RDKit::SubstanceGroupChecks::sGroupSubtypes = {"ALT", "RAN", "BLO"}

Definition at line 251 of file SubstanceGroup.h.

sGroupTypes

const std::vector<std::string> RDKit::SubstanceGroupChecks::sGroupTypes

Initial value:

= {
    
    "SRU", "MON", "COP", "CRO", "GRA", "MOD", "MER", "ANY",
    
    "COM", "MIX", "FOR",
    
    "SUP", "MUL", "DAT", "GEN"}

Definition at line 243 of file SubstanceGroup.h.