Open-source cheminformatics and machine learning.
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 133 of file FMCS.h.

Constructor & Destructor Documentation

RDKit::MCSResult::MCSResult ( )

Definition at line 140 of file FMCS.h.

Member Function Documentation

bool RDKit::MCSResult::isCompleted ( ) const

Definition at line 141 of file FMCS.h.

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

Member Data Documentation

bool RDKit::MCSResult::Canceled

Definition at line 137 of file FMCS.h.

unsigned RDKit::MCSResult::NumAtoms

Definition at line 134 of file FMCS.h.

unsigned RDKit::MCSResult::NumBonds

Definition at line 135 of file FMCS.h.

std::string RDKit::MCSResult::SmartsString

Definition at line 136 of file FMCS.h.

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