RDKit
Open-source cheminformatics and machine learning.
RDKit::MolEnumerator::MolEnumeratorParams Struct Reference

Parameters used to control the molecule enumeration. More...

#include <MolEnumerator.h>

Public Attributes

bool sanitize = false
 
size_t maxToEnumerate = 1000
 
bool doRandom = false
 
int randomSeed = -1
 
std::shared_ptr< MolEnumeratorOpdp_operation
 

Detailed Description

Parameters used to control the molecule enumeration.

Definition at line 234 of file MolEnumerator.h.

Member Data Documentation

◆ doRandom

bool RDKit::MolEnumerator::MolEnumeratorParams::doRandom = false

Definition at line 237 of file MolEnumerator.h.

◆ dp_operation

std::shared_ptr<MolEnumeratorOp> RDKit::MolEnumerator::MolEnumeratorParams::dp_operation

Definition at line 239 of file MolEnumerator.h.

◆ maxToEnumerate

size_t RDKit::MolEnumerator::MolEnumeratorParams::maxToEnumerate = 1000

Definition at line 236 of file MolEnumerator.h.

◆ randomSeed

int RDKit::MolEnumerator::MolEnumeratorParams::randomSeed = -1

Definition at line 238 of file MolEnumerator.h.

◆ sanitize

bool RDKit::MolEnumerator::MolEnumeratorParams::sanitize = false

Definition at line 235 of file MolEnumerator.h.


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