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

#include <FMCS.h>

Public Member Functions

 MCSResult ()
 
bool isCompleted () const
 

Public Attributes

unsigned NumAtoms
 
unsigned NumBonds
 
std::string SmartsString
 
bool Canceled
 

Detailed Description

Definition at line 128 of file FMCS.h.

Constructor & Destructor Documentation

◆ MCSResult()

RDKit::MCSResult::MCSResult ( )
inline

Definition at line 135 of file FMCS.h.

Member Function Documentation

◆ isCompleted()

bool RDKit::MCSResult::isCompleted ( ) const
inline

Definition at line 136 of file FMCS.h.

References RDKit::findMCS(), RDKit::findMCS_P(), and RDKit::parseMCSParametersJSON().

Member Data Documentation

◆ Canceled

bool RDKit::MCSResult::Canceled

Definition at line 132 of file FMCS.h.

◆ NumAtoms

unsigned RDKit::MCSResult::NumAtoms

Definition at line 129 of file FMCS.h.

◆ NumBonds

unsigned RDKit::MCSResult::NumBonds

Definition at line 130 of file FMCS.h.

◆ SmartsString

std::string RDKit::MCSResult::SmartsString

Definition at line 131 of file FMCS.h.

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