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
std::vector<const Bond*> RDKit::FMCS::MolFragment::Bonds
std::vector<unsigned> RDKit::FMCS::MolFragment::BondsIdx
std::map<unsigned, unsigned> RDKit::FMCS::MolFragment::SeedAtomIdxMap

Definition at line 28 of file Seed.h.

Referenced by RDKit::FMCS::SubstructureCache::HashKey::computeKey().


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