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

#include <MolOps.h>

Public Member Functions

 AdjustQueryParameters ()
 

Public Attributes

bool adjustDegree
 
AdjustQueryWhichFlags adjustDegreeFlags
 
bool adjustRingCount
 
AdjustQueryWhichFlags adjustRingCountFlags
 
bool makeDummiesQueries
 

Detailed Description

Definition at line 250 of file MolOps.h.

Constructor & Destructor Documentation

§ AdjustQueryParameters()

RDKit::MolOps::AdjustQueryParameters::AdjustQueryParameters ( )
inline

Member Data Documentation

§ adjustDegree

bool RDKit::MolOps::AdjustQueryParameters::adjustDegree

add degree queries

Definition at line 251 of file MolOps.h.

§ adjustDegreeFlags

AdjustQueryWhichFlags RDKit::MolOps::AdjustQueryParameters::adjustDegreeFlags

Definition at line 252 of file MolOps.h.

§ adjustRingCount

bool RDKit::MolOps::AdjustQueryParameters::adjustRingCount

add ring-count queries

Definition at line 253 of file MolOps.h.

§ adjustRingCountFlags

AdjustQueryWhichFlags RDKit::MolOps::AdjustQueryParameters::adjustRingCountFlags

Definition at line 254 of file MolOps.h.

§ makeDummiesQueries

bool RDKit::MolOps::AdjustQueryParameters::makeDummiesQueries

convert dummy atoms without isotope labels to any-atom queries

Definition at line 256 of file MolOps.h.


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