RDKit::SynthonSpaceSearch Namespace Reference

Namespaces
namespace	details

Classes
class	SearchResults
class	SubstructureResults
class	Synthon
class	SynthonSet
class	SynthonSpace
class	SynthonSpaceFingerprintSearcher
struct	SynthonSpaceHitSet
class	SynthonSpaceSearcher
struct	SynthonSpaceSearchParams
class	SynthonSpaceSubstructureSearcher

Functions
RDKIT_SYNTHONSPACESEARCH_EXPORT std::unique_ptr< ROMol >	getConnRegion (const ROMol &mol)

Variables
const std::vector< std::string >	CONNECTOR_SYMBOLS {"[U]", "[Np]", "[Pu]", "[Am]"}
constexpr unsigned int	MAX_CONNECTOR_NUM {4}

Function Documentation

getConnRegion()

RDKIT_SYNTHONSPACESEARCH_EXPORT std::unique_ptr< ROMol > RDKit::SynthonSpaceSearch::getConnRegion

(

const ROMol &

mol

)

Variable Documentation

CONNECTOR_SYMBOLS

const std::vector<std::string> RDKit::SynthonSpaceSearch::CONNECTOR_SYMBOLS {"[U]", "[Np]", "[Pu]", "[Am]"}

Definition at line 41 of file SynthonSpace.h.

MAX_CONNECTOR_NUM

constexpr unsigned int RDKit::SynthonSpaceSearch::MAX_CONNECTOR_NUM {4}

constexpr

Definition at line 42 of file SynthonSpace.h.