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

#include <FMCS.h>

Public Member Functions

 MCSAtomCompareParameters ()

Public Attributes

bool MatchValences
bool MatchChiralTag
bool MatchFormalCharge

Detailed Description

Definition at line 23 of file FMCS.h.

Constructor & Destructor Documentation

RDKit::MCSAtomCompareParameters::MCSAtomCompareParameters ( )

Definition at line 29 of file FMCS.h.

Member Data Documentation

bool RDKit::MCSAtomCompareParameters::MatchChiralTag

Definition at line 25 of file FMCS.h.

bool RDKit::MCSAtomCompareParameters::MatchFormalCharge

Definition at line 26 of file FMCS.h.

bool RDKit::MCSAtomCompareParameters::MatchValences

Definition at line 24 of file FMCS.h.

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