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< MolEnumeratorOp >	dp_operation

Detailed Description

Parameters used to control the molecule enumeration.

Definition at line 241 of file MolEnumerator.h.

Member Data Documentation

doRandom

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

Definition at line 244 of file MolEnumerator.h.

dp_operation

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

Definition at line 246 of file MolEnumerator.h.

maxToEnumerate

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

Definition at line 243 of file MolEnumerator.h.

randomSeed

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

Definition at line 245 of file MolEnumerator.h.

sanitize

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

Definition at line 242 of file MolEnumerator.h.

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

• MolEnumerator.h