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 17 of file TargetMatch.h.

Constructor & Destructor Documentation

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

Definition at line 26 of file TargetMatch.h.

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

Definition at line 27 of file TargetMatch.h.

Member Function Documentation

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

Definition at line 45 of file TargetMatch.h.

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

Definition at line 44 of file TargetMatch.h.

References Empty.

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

Member Data Documentation

bool RDKit::FMCS::TargetMatch::Empty

Definition at line 18 of file TargetMatch.h.

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

size_t RDKit::FMCS::TargetMatch::MatchedAtomSize

Definition at line 19 of file TargetMatch.h.

Referenced by operator=().

size_t RDKit::FMCS::TargetMatch::MatchedBondSize

Definition at line 20 of file TargetMatch.h.

Referenced by operator=().

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

Definition at line 21 of file TargetMatch.h.

Referenced by operator=().

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

Definition at line 22 of file TargetMatch.h.

Referenced by operator=().

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

Definition at line 24 of file TargetMatch.h.

Referenced by operator=().

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

Definition at line 23 of file TargetMatch.h.

Referenced by operator=().


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