RDKit
Open-source cheminformatics and machine learning.
Loading...
Searching...
No Matches
RDKit::SynthonSpaceSearch::SynthonSpaceHitSet Struct Reference

#include <SynthonSpace.h>

Public Member Functions

 SynthonSpaceHitSet ()=delete
 
 SynthonSpaceHitSet (const std::string &id, const std::vector< std::vector< size_t > > &stu)
 

Public Attributes

std::string reactionId
 
std::vector< std::vector< size_t > > synthonsToUse
 
size_t numHits {0}
 

Detailed Description

Definition at line 104 of file SynthonSpace.h.

Constructor & Destructor Documentation

◆ SynthonSpaceHitSet() [1/2]

RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::SynthonSpaceHitSet ( )
delete

◆ SynthonSpaceHitSet() [2/2]

RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::SynthonSpaceHitSet ( const std::string &  id,
const std::vector< std::vector< size_t > > &  stu 
)
inline

Definition at line 106 of file SynthonSpace.h.

Member Data Documentation

◆ numHits

size_t RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::numHits {0}

Definition at line 117 of file SynthonSpace.h.

◆ reactionId

std::string RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::reactionId

Definition at line 115 of file SynthonSpace.h.

◆ synthonsToUse

std::vector<std::vector<size_t> > RDKit::SynthonSpaceSearch::SynthonSpaceHitSet::synthonsToUse

Definition at line 116 of file SynthonSpace.h.


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