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

#include <FMCS.h>

Public Attributes

bool MatchValences = false
 
bool MatchChiralTag = false
 
bool MatchFormalCharge = false
 
bool RingMatchesRingOnly = false
 
bool CompleteRingsOnly = false
 
bool MatchIsotope = false
 
double MaxDistance = -1.0
 

Detailed Description

Definition at line 41 of file FMCS.h.

Member Data Documentation

◆ CompleteRingsOnly

bool RDKit::MCSAtomCompareParameters::CompleteRingsOnly = false

Definition at line 46 of file FMCS.h.

◆ MatchChiralTag

bool RDKit::MCSAtomCompareParameters::MatchChiralTag = false

Definition at line 43 of file FMCS.h.

◆ MatchFormalCharge

bool RDKit::MCSAtomCompareParameters::MatchFormalCharge = false

Definition at line 44 of file FMCS.h.

◆ MatchIsotope

bool RDKit::MCSAtomCompareParameters::MatchIsotope = false

Definition at line 47 of file FMCS.h.

◆ MatchValences

bool RDKit::MCSAtomCompareParameters::MatchValences = false

Definition at line 42 of file FMCS.h.

◆ MaxDistance

double RDKit::MCSAtomCompareParameters::MaxDistance = -1.0

Definition at line 48 of file FMCS.h.

◆ RingMatchesRingOnly

bool RDKit::MCSAtomCompareParameters::RingMatchesRingOnly = false

Definition at line 45 of file FMCS.h.

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