RDKit::detail Namespace Reference

Classes
struct	MCSParametersInternal
struct	RecursiveLocker

Typedefs
using	SUBQUERY_MAP = std::map<unsigned int, QueryAtom::QUERYATOM_QUERY *>

Functions
std::string	qhelper (const Atom::QUERYATOM_QUERY *q, unsigned int depth)
std::string	qhelper (const Bond::QUERYBOND_QUERY *q, unsigned int depth)
RDKIT_SUBSTRUCTMATCH_EXPORT void	MatchSubqueries (const ROMol &mol, QueryAtom::QUERYATOM_QUERY *q, const SubstructMatchParameters &params, SUBQUERY_MAP &subqueryMap, std::vector< RecursiveStructureQuery * > &locked)
template<typename CompareFunc>
bool	hanoi (int *base, int nel, int *temp, int *count, int *changed, CompareFunc compar)

Variables
constexpr std::string_view	computedPropName = "__computedProps"

Typedef Documentation

SUBQUERY_MAP

using RDKit::detail::SUBQUERY_MAP = std::map<unsigned int, QueryAtom::QUERYATOM_QUERY *>

Definition at line 34 of file SubstructDetails.h.

Function Documentation

hanoi()

template<typename CompareFunc>

bool RDKit::detail::hanoi	(	int *	base,
		int	nel,
		int *	temp,
		int *	count,
		int *	changed,
		CompareFunc	compar )

changed ||

changed ||

Definition at line 29 of file hanoiSort.h.

References hanoi().

Referenced by hanoi(), RDKit::hanoisort(), and RDKit::Canon::RefinePartitions().

MatchSubqueries()

RDKIT_SUBSTRUCTMATCH_EXPORT void RDKit::detail::MatchSubqueries	(	const ROMol &	mol,
		QueryAtom::QUERYATOM_QUERY *	q,
		const SubstructMatchParameters &	params,
		SUBQUERY_MAP &	subqueryMap,
		std::vector< RecursiveStructureQuery * > &	locked )

References RDKIT_SUBSTRUCTMATCH_EXPORT.

qhelper() [1/2]

std::string RDKit::detail::qhelper ( const Atom::QUERYATOM_QUERY * q, unsigned int depth )

inline

Definition at line 140 of file QueryAtom.h.

References Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::beginChildren(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::endChildren(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::getFullDescription(), and qhelper().

Referenced by RDKit::describeQuery(), RDKit::describeQuery(), qhelper(), and qhelper().

qhelper() [2/2]

std::string RDKit::detail::qhelper ( const Bond::QUERYBOND_QUERY * q, unsigned int depth )

inline

Definition at line 121 of file QueryBond.h.

References Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::beginChildren(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::endChildren(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::getFullDescription(), and qhelper().

Variable Documentation

computedPropName

std::string_view RDKit::detail::computedPropName = "__computedProps"

inlineconstexpr

Definition at line 51 of file types.h.

Referenced by RDKit::RDProps::clearComputedProps(), RDKit::RDProps::clearProp(), RDKit::RDProps::getPropList(), and RDKit::RDProps::setProp().