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.

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

• FMCS.h