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

#include <Seed.h>

Public Attributes

std::vector< const Atom * > Atoms
 
std::vector< const Bond * > Bonds
 
std::vector< unsigned > AtomsIdx
 
std::vector< unsigned > BondsIdx
 
std::map< unsigned, unsigned > SeedAtomIdxMap
 

Detailed Description

Definition at line 23 of file Seed.h.

Member Data Documentation

std::vector<const Atom*> RDKit::FMCS::MolFragment::Atoms

Definition at line 24 of file Seed.h.

std::vector<unsigned> RDKit::FMCS::MolFragment::AtomsIdx

Definition at line 26 of file Seed.h.

Referenced by RDKit::FMCS::Seed::getNumAtoms(), and RDKit::FMCS::TargetMatch::init().

std::vector<const Bond*> RDKit::FMCS::MolFragment::Bonds

Definition at line 25 of file Seed.h.

Referenced by RDKit::FMCS::TargetMatch::init().

std::vector<unsigned> RDKit::FMCS::MolFragment::BondsIdx

Definition at line 27 of file Seed.h.

Referenced by RDKit::FMCS::Seed::getNumBonds().

std::map<unsigned,unsigned> RDKit::FMCS::MolFragment::SeedAtomIdxMap

Definition at line 28 of file Seed.h.


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