RDKit
Open-source cheminformatics and machine learning.
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Public Attributes | List of all members
RDKit::EnumerateStereoisomers::StereoEnumerationOptions Struct Reference

#include <EnumerateStereoisomers.h>

Public Attributes

bool tryEmbedding {false}
 
bool onlyUnassigned {true}
 
bool onlyStereoGroups {false}
 
bool unique {true}
 
std::uint64_t maxIsomers {0}
 
int randomSeed {-1}
 

Detailed Description

Definition at line 32 of file EnumerateStereoisomers.h.

Member Data Documentation

◆ maxIsomers

std::uint64_t RDKit::EnumerateStereoisomers::StereoEnumerationOptions::maxIsomers {0}

Definition at line 50 of file EnumerateStereoisomers.h.

◆ onlyStereoGroups

bool RDKit::EnumerateStereoisomers::StereoEnumerationOptions::onlyStereoGroups {false}

Definition at line 45 of file EnumerateStereoisomers.h.

◆ onlyUnassigned

bool RDKit::EnumerateStereoisomers::StereoEnumerationOptions::onlyUnassigned {true}

Definition at line 41 of file EnumerateStereoisomers.h.

◆ randomSeed

int RDKit::EnumerateStereoisomers::StereoEnumerationOptions::randomSeed {-1}

Definition at line 58 of file EnumerateStereoisomers.h.

◆ tryEmbedding

bool RDKit::EnumerateStereoisomers::StereoEnumerationOptions::tryEmbedding {false}

Definition at line 33 of file EnumerateStereoisomers.h.

◆ unique

bool RDKit::EnumerateStereoisomers::StereoEnumerationOptions::unique {true}

Definition at line 48 of file EnumerateStereoisomers.h.

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