RDKit
Open-source cheminformatics and machine learning.
Public Member Functions | Public Attributes | List of all members
RDKit::RGroupMatch Struct Reference

RGroupMatch is the decomposition for a single molecule. More...

#include <RGroupMatch.h>

Public Member Functions

 RGroupMatch (size_t core_index, R_DECOMP input_rgroups)
 

Public Attributes

size_t core_idx
 
R_DECOMP rgroups
 

Detailed Description

RGroupMatch is the decomposition for a single molecule.

Definition at line 19 of file RGroupMatch.h.

Constructor & Destructor Documentation

◆ RGroupMatch()

RDKit::RGroupMatch::RGroupMatch ( size_t  core_index,
R_DECOMP  input_rgroups 
)
inline

Definition at line 23 of file RGroupMatch.h.

Member Data Documentation

◆ core_idx

size_t RDKit::RGroupMatch::core_idx

Definition at line 20 of file RGroupMatch.h.

◆ rgroups

R_DECOMP RDKit::RGroupMatch::rgroups

Definition at line 21 of file RGroupMatch.h.

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