RDKit::FMCS::TargetMatch Struct Reference

#include <TargetMatch.h>

Public Member Functions
	TargetMatch ()
	TargetMatch (const TargetMatch &src)
TargetMatch &	operator= (const TargetMatch &src)
bool	empty () const
void	clear ()
void	init (const Seed &seed, const match_V_t &match, const ROMol &query, const Target &target)

Public Attributes
bool	Empty {true}
size_t	MatchedAtomSize {0}
size_t	MatchedBondSize {0}
std::vector< unsigned int >	TargetAtomIdx
std::vector< unsigned int >	TargetBondIdx
boost::dynamic_bitset	VisitedTargetBonds
boost::dynamic_bitset	VisitedTargetAtoms

Detailed Description

Definition at line 19 of file TargetMatch.h.

Constructor & Destructor Documentation

TargetMatch() [1/2]

RDKit::FMCS::TargetMatch::TargetMatch ( )

inline

Definition at line 28 of file TargetMatch.h.

TargetMatch() [2/2]

RDKit::FMCS::TargetMatch::TargetMatch ( const TargetMatch & src )

inline

Definition at line 29 of file TargetMatch.h.

References RDKit::rdvalue_is().

Member Function Documentation

clear()

void RDKit::FMCS::TargetMatch::clear ( )

inline

Definition at line 43 of file TargetMatch.h.

References Empty, TargetAtomIdx, TargetBondIdx, VisitedTargetAtoms, and VisitedTargetBonds.

empty()

bool RDKit::FMCS::TargetMatch::empty ( ) const

inline

Definition at line 42 of file TargetMatch.h.

References Empty.

init()

void RDKit::FMCS::TargetMatch::init ( const Seed & seed, const match_V_t & match, const ROMol & query, const Target & target )

inline

Definition at line 51 of file TargetMatch.h.

References Empty, RDKit::ROMol::getNumAtoms(), RDKit::ROMol::getNumBonds(), MatchedAtomSize, MatchedBondSize, RDKit::FMCS::NotSet, RDKit::rdvalue_is(), TargetAtomIdx, TargetBondIdx, VisitedTargetAtoms, and VisitedTargetBonds.

operator=()

TargetMatch & RDKit::FMCS::TargetMatch::operator= ( const TargetMatch & src )

inline

Definition at line 30 of file TargetMatch.h.

References Empty, MatchedAtomSize, MatchedBondSize, RDKit::rdvalue_is(), TargetAtomIdx, TargetBondIdx, VisitedTargetAtoms, and VisitedTargetBonds.

Member Data Documentation

Empty

bool RDKit::FMCS::TargetMatch::Empty {true}

Definition at line 20 of file TargetMatch.h.

Referenced by clear(), empty(), init(), and operator=().

MatchedAtomSize

size_t RDKit::FMCS::TargetMatch::MatchedAtomSize {0}

Definition at line 21 of file TargetMatch.h.

Referenced by init(), and operator=().

MatchedBondSize

size_t RDKit::FMCS::TargetMatch::MatchedBondSize {0}

Definition at line 22 of file TargetMatch.h.

Referenced by init(), and operator=().

TargetAtomIdx

std::vector<unsigned int> RDKit::FMCS::TargetMatch::TargetAtomIdx

Definition at line 23 of file TargetMatch.h.

Referenced by clear(), init(), and operator=().

TargetBondIdx

std::vector<unsigned int> RDKit::FMCS::TargetMatch::TargetBondIdx

Definition at line 24 of file TargetMatch.h.

Referenced by clear(), init(), and operator=().

VisitedTargetAtoms

boost::dynamic_bitset RDKit::FMCS::TargetMatch::VisitedTargetAtoms

Definition at line 26 of file TargetMatch.h.

Referenced by clear(), init(), and operator=().

VisitedTargetBonds

boost::dynamic_bitset RDKit::FMCS::TargetMatch::VisitedTargetBonds

Definition at line 25 of file TargetMatch.h.

Referenced by clear(), init(), and operator=().

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

• TargetMatch.h