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

#include <Subset.h>

Public Attributes

boost::dynamic_bitset selectedAtoms
boost::dynamic_bitset selectedBonds
std::map< unsigned int, unsigned int > atomMapping
std::map< unsigned int, unsigned int > bondMapping

Detailed Description

Definition at line 61 of file Subset.h.

Member Data Documentation

◆ atomMapping

std::map<unsigned int, unsigned int> RDKit::SubsetInfo::atomMapping

mapping of original atom indices to new ones

Definition at line 65 of file Subset.h.

◆ bondMapping

std::map<unsigned int, unsigned int> RDKit::SubsetInfo::bondMapping

mapping of original bond indices to new ones

Definition at line 67 of file Subset.h.

◆ selectedAtoms

boost::dynamic_bitset RDKit::SubsetInfo::selectedAtoms

atoms selected in the subset

Definition at line 62 of file Subset.h.

◆ selectedBonds

boost::dynamic_bitset RDKit::SubsetInfo::selectedBonds

bonds selected in the subset

Definition at line 63 of file Subset.h.

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