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

#include <FingerprintGenerator.h>

Public Attributes

std::vector< std::vector< std::uint64_t > > * atomToBits
 
std::map< std::uint32_t, std::vector< std::pair< std::uint32_t, std::uint32_t > > > * bitInfoMap
 
std::pair< std::vector< std::vector< std::uint32_t > >, std::map< std::uint32_t, std::vector< std::vector< int > > > > * bitInfo
 
std::vector< unsigned int > * atomCounts
 

Detailed Description

Definition at line 23 of file FingerprintGenerator.h.

Member Data Documentation

◆ atomCounts

std::vector<unsigned int>* RDKit::AdditionalOutput::atomCounts

Definition at line 40 of file FingerprintGenerator.h.

◆ atomToBits

std::vector<std::vector<std::uint64_t> >* RDKit::AdditionalOutput::atomToBits

Definition at line 26 of file FingerprintGenerator.h.

◆ bitInfo

std::pair<std::vector<std::vector<std::uint32_t> >, std::map<std::uint32_t, std::vector<std::vector<int> > > >* RDKit::AdditionalOutput::bitInfo

Definition at line 34 of file FingerprintGenerator.h.

◆ bitInfoMap

std::map<std::uint32_t, std::vector<std::pair<std::uint32_t, std::uint32_t> > >* RDKit::AdditionalOutput::bitInfoMap

Definition at line 29 of file FingerprintGenerator.h.


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