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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 |
| 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 |