RDKit::detail::MCSParametersInternal Struct Reference

#include <FMCS.h>

Inheritance diagram for RDKit::detail::MCSParametersInternal:

Public Member Functions
	MCSParametersInternal ()
	~MCSParametersInternal () override
	MCSParametersInternal (const MCSParameters *params)
Public Member Functions inherited from RDKit::MCSParameters
	MCSParameters ()
	MCSParameters (const MCSParameters *other)
	MCSParameters (const MCSParameters &other)=default
MCSParameters &	operator= (const MCSParameters &other)=default
virtual	~MCSParameters ()
void	setMCSAtomTyperFromEnum (AtomComparator atomComp)
void	setMCSAtomTyperFromConstChar (const char *atomComp)
void	setMCSBondTyperFromEnum (BondComparator bondComp)
void	setMCSBondTyperFromConstChar (const char *bondComp)

Public Attributes
MCSFinalMatchCheckFunction	UserFinalMatchChecker = nullptr
Public Attributes inherited from RDKit::MCSParameters
bool	StoreAll = false
bool	MaximizeBonds = true
double	Threshold = 1.0
unsigned int	Timeout = 0
bool	Verbose = false
MCSAtomCompareParameters	AtomCompareParameters
MCSBondCompareParameters	BondCompareParameters
MCSAtomCompareFunction	AtomTyper = MCSAtomCompareElements
MCSBondCompareFunction	BondTyper = MCSBondCompareOrder
void *	CompareFunctionsUserData = nullptr
MCSProgressCallback	ProgressCallback
void *	ProgressCallbackUserData = nullptr
MCSFinalMatchCheckFunction	FinalMatchChecker = nullptr
void *	FinalMatchCheckerUserData = nullptr
MCSAcceptanceFunction	ShouldAcceptMCS = nullptr
void *	ShouldAcceptMCSUserData = nullptr
std::string	InitialSeed = ""

Detailed Description

Definition at line 186 of file FMCS.h.

Constructor & Destructor Documentation

MCSParametersInternal() [1/2]

RDKit::detail::MCSParametersInternal::MCSParametersInternal ( )

inline

Definition at line 187 of file FMCS.h.

~MCSParametersInternal()

RDKit::detail::MCSParametersInternal::~MCSParametersInternal ( )

inlineoverride

Definition at line 188 of file FMCS.h.

MCSParametersInternal() [2/2]

RDKit::detail::MCSParametersInternal::MCSParametersInternal

(

const MCSParameters *

params

)

References RDKit::MCSParameters::MCSParameters().

Member Data Documentation

UserFinalMatchChecker

MCSFinalMatchCheckFunction RDKit::detail::MCSParametersInternal::UserFinalMatchChecker = nullptr

Definition at line 190 of file FMCS.h.

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

• FMCS.h