#include <FMCS.h>

Public Member Functions
	MCSResult ()

bool	isCompleted () const

Public Attributes
unsigned int	NumAtoms {0}

unsigned int	NumBonds {0}

std::string	SmartsString

bool	Canceled {false}

ROMOL_SPTR	QueryMol

std::map< std::string, ROMOL_SPTR >	DegenerateSmartsQueryMolDict

Detailed Description

Definition at line 194 of file FMCS.h.

Constructor & Destructor Documentation

◆ MCSResult()

RDKit::MCSResult::MCSResult ( )

inline

Definition at line 204 of file FMCS.h.

Member Function Documentation

◆ isCompleted()

bool RDKit::MCSResult::isCompleted ( ) const

inline

Definition at line 205 of file FMCS.h.

References Canceled.

Member Data Documentation

◆ Canceled

bool RDKit::MCSResult::Canceled {false}

Definition at line 198 of file FMCS.h.

Referenced by isCompleted().

◆ DegenerateSmartsQueryMolDict

std::map<std::string, ROMOL_SPTR> RDKit::MCSResult::DegenerateSmartsQueryMolDict

Definition at line 201 of file FMCS.h.

◆ NumAtoms

unsigned int RDKit::MCSResult::NumAtoms {0}

Definition at line 195 of file FMCS.h.

◆ NumBonds

unsigned int RDKit::MCSResult::NumBonds {0}

Definition at line 196 of file FMCS.h.

◆ QueryMol

ROMOL_SPTR RDKit::MCSResult::QueryMol

Definition at line 200 of file FMCS.h.

◆ SmartsString

std::string RDKit::MCSResult::SmartsString

Definition at line 197 of file FMCS.h.

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

FMCS.h

Public Member Functions

Public Attributes