RDKit
Open-source cheminformatics and machine learning.
RDKit::FMCS::TargetMatch Struct Reference

#include <TargetMatch.h>

Public Member Functions

 TargetMatch ()
 
 TargetMatch (const TargetMatch &src)
 
TargetMatchoperator= (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
 
size_t MatchedAtomSize
 
size_t MatchedBondSize
 
std::vector< unsigned > TargetAtomIdx
 
std::vector< unsigned > TargetBondIdx
 
std::vector< bool > VisitedTargetBonds
 
std::vector< bool > VisitedTargetAtoms
 

Detailed Description

Definition at line 18 of file TargetMatch.h.

Constructor & Destructor Documentation

◆ TargetMatch() [1/2]

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

Definition at line 27 of file TargetMatch.h.

◆ TargetMatch() [2/2]

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

Definition at line 28 of file TargetMatch.h.

Member Function Documentation

◆ clear()

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

Definition at line 46 of file TargetMatch.h.

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

◆ empty()

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

Definition at line 45 of file TargetMatch.h.

References Empty.

◆ init()

◆ operator=()

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

Member Data Documentation

◆ Empty

bool RDKit::FMCS::TargetMatch::Empty

Definition at line 19 of file TargetMatch.h.

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

◆ MatchedAtomSize

size_t RDKit::FMCS::TargetMatch::MatchedAtomSize

Definition at line 20 of file TargetMatch.h.

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

◆ MatchedBondSize

size_t RDKit::FMCS::TargetMatch::MatchedBondSize

Definition at line 21 of file TargetMatch.h.

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

◆ TargetAtomIdx

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

Definition at line 22 of file TargetMatch.h.

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

◆ TargetBondIdx

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

Definition at line 23 of file TargetMatch.h.

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

◆ VisitedTargetAtoms

std::vector<bool> RDKit::FMCS::TargetMatch::VisitedTargetAtoms

Definition at line 25 of file TargetMatch.h.

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

◆ VisitedTargetBonds

std::vector<bool> RDKit::FMCS::TargetMatch::VisitedTargetBonds

Definition at line 24 of file TargetMatch.h.

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


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