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

#include <MolFragmenter.h>

Public Attributes

unsigned int atom1Label
 
unsigned int atom2Label
 
unsigned int atom1Type
 
unsigned int atom2Type
 
Bond::BondType bondType
 
ROMOL_SPTR query
 

Detailed Description

Definition at line 18 of file MolFragmenter.h.

Member Data Documentation

unsigned int RDKit::MolFragmenter::FragmenterBondType::atom1Label

Definition at line 19 of file MolFragmenter.h.

unsigned int RDKit::MolFragmenter::FragmenterBondType::atom1Type

Definition at line 20 of file MolFragmenter.h.

unsigned int RDKit::MolFragmenter::FragmenterBondType::atom2Label

Definition at line 19 of file MolFragmenter.h.

unsigned int RDKit::MolFragmenter::FragmenterBondType::atom2Type

Definition at line 20 of file MolFragmenter.h.

Bond::BondType RDKit::MolFragmenter::FragmenterBondType::bondType

Definition at line 21 of file MolFragmenter.h.

ROMOL_SPTR RDKit::MolFragmenter::FragmenterBondType::query

Definition at line 22 of file MolFragmenter.h.


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