RDKit
Open-source cheminformatics and machine learning.
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#include <RascalOptions.h>
Public Attributes | |
double | similarityThreshold |
bool | completeAromaticRings |
bool | ringMatchesRingOnly |
bool | singleLargestFrag |
int | minFragSize |
int | maxFragSeparation = -1 |
bool | allBestMCESs |
int | timeout = 60 |
bool | doEquivBondPruning |
bool | returnEmptyMCES = false |
unsigned int | maxBondMatchPairs = 1000 |
Definition at line 19 of file RascalOptions.h.
bool RDKit::RascalMCES::RascalOptions::allBestMCESs |
Definition at line 33 of file RascalOptions.h.
bool RDKit::RascalMCES::RascalOptions::completeAromaticRings |
Definition at line 22 of file RascalOptions.h.
bool RDKit::RascalMCES::RascalOptions::doEquivBondPruning |
Definition at line 37 of file RascalOptions.h.
Definition at line 43 of file RascalOptions.h.
int RDKit::RascalMCES::RascalOptions::maxFragSeparation = -1 |
Definition at line 31 of file RascalOptions.h.
int RDKit::RascalMCES::RascalOptions::minFragSize |
Definition at line 29 of file RascalOptions.h.
Definition at line 40 of file RascalOptions.h.
bool RDKit::RascalMCES::RascalOptions::ringMatchesRingOnly |
Definition at line 24 of file RascalOptions.h.
double RDKit::RascalMCES::RascalOptions::similarityThreshold |
Definition at line 20 of file RascalOptions.h.
bool RDKit::RascalMCES::RascalOptions::singleLargestFrag |
Definition at line 26 of file RascalOptions.h.
int RDKit::RascalMCES::RascalOptions::timeout = 60 |
Definition at line 36 of file RascalOptions.h.