RDKit
Open-source cheminformatics and machine learning.
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Public Attributes | List of all members
RDKit::SynthonSpaceSearch::SampleMolRec Struct Reference

#include <SynthonSet.h>

Public Attributes

const class SynthonSet * d_synthonSet {nullptr}
 
Synthon * d_synthon {nullptr}
 
std::vector< size_t > d_synthonNums
 
size_t d_synthonSetNum
 
std::unique_ptr< ROMol > d_mol {nullptr}
 
unsigned int d_numAtoms {0}
 

Detailed Description

Definition at line 39 of file SynthonSet.h.

Member Data Documentation

◆ d_mol

std::unique_ptr<ROMol> RDKit::SynthonSpaceSearch::SampleMolRec::d_mol {nullptr}

Definition at line 44 of file SynthonSet.h.

◆ d_numAtoms

unsigned int RDKit::SynthonSpaceSearch::SampleMolRec::d_numAtoms {0}

Definition at line 45 of file SynthonSet.h.

◆ d_synthon

Synthon* RDKit::SynthonSpaceSearch::SampleMolRec::d_synthon {nullptr}

Definition at line 41 of file SynthonSet.h.

◆ d_synthonNums

std::vector<size_t> RDKit::SynthonSpaceSearch::SampleMolRec::d_synthonNums

Definition at line 42 of file SynthonSet.h.

◆ d_synthonSet

const class SynthonSet* RDKit::SynthonSpaceSearch::SampleMolRec::d_synthonSet {nullptr}

Definition at line 40 of file SynthonSet.h.

◆ d_synthonSetNum

size_t RDKit::SynthonSpaceSearch::SampleMolRec::d_synthonSetNum

Definition at line 43 of file SynthonSet.h.

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