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RDKit
Open-source cheminformatics and machine learning.
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#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 |
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inline |
Definition at line 68 of file MolHash.h.
References RDKit::MolHash::encode(), and RDKit::MolHash::generateMoleculeHashSet().
HashCodeType RDKit::MolHash::HashSet::ChiralAtomsHash |
HashCodeType RDKit::MolHash::HashSet::ChiralBondsHash |
HashCodeType RDKit::MolHash::HashSet::ChiralityHash |
HashCodeType RDKit::MolHash::HashSet::NonChiralAtomsHash |
HashCodeType RDKit::MolHash::HashSet::NonChiralBondsHash |