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RDKit
Open-source cheminformatics and machine learning.
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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 |
Parameters used to control the molecule enumeration.
Definition at line 234 of file MolEnumerator.h.
bool RDKit::MolEnumerator::MolEnumeratorParams::doRandom = false |
Definition at line 237 of file MolEnumerator.h.
std::shared_ptr<MolEnumeratorOp> RDKit::MolEnumerator::MolEnumeratorParams::dp_operation |
Definition at line 239 of file MolEnumerator.h.
size_t RDKit::MolEnumerator::MolEnumeratorParams::maxToEnumerate = 1000 |
Definition at line 236 of file MolEnumerator.h.
int RDKit::MolEnumerator::MolEnumeratorParams::randomSeed = -1 |
Definition at line 238 of file MolEnumerator.h.
bool RDKit::MolEnumerator::MolEnumeratorParams::sanitize = false |
Definition at line 235 of file MolEnumerator.h.