RDKit::MCSParameters Struct Reference

#include <FMCS.h>

Public Member Functions
	MCSParameters ()

Public Attributes
bool	MaximizeBonds
double	Threshold
unsigned	Timeout
bool	Verbose
MCSAtomCompareParameters	AtomCompareParameters
MCSBondCompareParameters	BondCompareParameters
MCSAtomCompareFunction	AtomTyper
MCSBondCompareFunction	BondTyper
void *	CompareFunctionsUserData
MCSProgressCallback	ProgressCallback
void *	ProgressCallbackUserData
MCSFinalMatchCheckFunction	FinalMatchChecker
std::string	InitialSeed

Detailed Description

Definition at line 97 of file FMCS.h.

Constructor & Destructor Documentation

MCSParameters()

RDKit::MCSParameters::MCSParameters ( )

inline

Definition at line 113 of file FMCS.h.

Member Data Documentation

AtomCompareParameters

MCSAtomCompareParameters RDKit::MCSParameters::AtomCompareParameters

Definition at line 102 of file FMCS.h.

Referenced by RDKit::FMCS::RingMatchTableSet::computeRingMatchTable().

AtomTyper

MCSAtomCompareFunction RDKit::MCSParameters::AtomTyper

Definition at line 104 of file FMCS.h.

Referenced by RDKit::FMCS::RingMatchTableSet::computeRingMatchTable().

BondCompareParameters

MCSBondCompareParameters RDKit::MCSParameters::BondCompareParameters

Definition at line 103 of file FMCS.h.

Referenced by RDKit::FMCS::RingMatchTableSet::computeRingMatchTable().

BondTyper

MCSBondCompareFunction RDKit::MCSParameters::BondTyper

Definition at line 105 of file FMCS.h.

Referenced by RDKit::FMCS::RingMatchTableSet::computeRingMatchTable().

CompareFunctionsUserData

void* RDKit::MCSParameters::CompareFunctionsUserData

Definition at line 106 of file FMCS.h.

FinalMatchChecker

MCSFinalMatchCheckFunction RDKit::MCSParameters::FinalMatchChecker

Definition at line 110 of file FMCS.h.

InitialSeed

std::string RDKit::MCSParameters::InitialSeed

Definition at line 111 of file FMCS.h.

MaximizeBonds

bool RDKit::MCSParameters::MaximizeBonds

Definition at line 98 of file FMCS.h.

ProgressCallback

MCSProgressCallback RDKit::MCSParameters::ProgressCallback

Definition at line 107 of file FMCS.h.

ProgressCallbackUserData

void* RDKit::MCSParameters::ProgressCallbackUserData

Definition at line 108 of file FMCS.h.

Threshold

double RDKit::MCSParameters::Threshold

Definition at line 99 of file FMCS.h.

Timeout

unsigned RDKit::MCSParameters::Timeout

Definition at line 100 of file FMCS.h.

Verbose

bool RDKit::MCSParameters::Verbose

Definition at line 101 of file FMCS.h.

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

• FMCS.h