Open-source cheminformatics and machine learning.
RDKit::MolHash::HashSet Struct Reference

#include <MolHash.h>

Public Member Functions

 HashSet ()

Public Attributes

boost::uint16_t Version
boost::uint16_t Reserved
boost::uint16_t NumAtoms
boost::uint16_t NumBonds
boost::uint32_t FormulaCRC32
HashCodeType NonChiralAtomsHash
HashCodeType NonChiralBondsHash
HashCodeType ChiralAtomsHash
HashCodeType ChiralBondsHash
HashCodeType ChiralityHash

Detailed Description

Definition at line 59 of file MolHash.h.

Constructor & Destructor Documentation

RDKit::MolHash::HashSet::HashSet ( )

Member Data Documentation

HashCodeType RDKit::MolHash::HashSet::ChiralAtomsHash

Definition at line 67 of file MolHash.h.

HashCodeType RDKit::MolHash::HashSet::ChiralBondsHash

Definition at line 68 of file MolHash.h.

HashCodeType RDKit::MolHash::HashSet::ChiralityHash

Definition at line 69 of file MolHash.h.

boost::uint32_t RDKit::MolHash::HashSet::FormulaCRC32

Definition at line 64 of file MolHash.h.

HashCodeType RDKit::MolHash::HashSet::NonChiralAtomsHash

Definition at line 65 of file MolHash.h.

HashCodeType RDKit::MolHash::HashSet::NonChiralBondsHash

Definition at line 66 of file MolHash.h.

boost::uint16_t RDKit::MolHash::HashSet::NumAtoms

Definition at line 62 of file MolHash.h.

boost::uint16_t RDKit::MolHash::HashSet::NumBonds

Definition at line 63 of file MolHash.h.

boost::uint16_t RDKit::MolHash::HashSet::Reserved

Definition at line 61 of file MolHash.h.

boost::uint16_t RDKit::MolHash::HashSet::Version

Definition at line 60 of file MolHash.h.

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