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RDKit
Open-source cheminformatics and machine learning.
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#include <FMCS.h>
Public Member Functions | |
MCSParameters () | |
Public Attributes | |
bool | MaximizeBonds |
double | Threshold |
unsigned | Timeout |
bool | Verbose |
MCSAtomCompareParameters | AtomCompareParameters |
MCSBondCompareParameters | BondCompareParameters |
MCSAtomCompareFunction | AtomTyper |
MCSBondCompareFunction | BondTyper |
void * | CompareFunctionsUserData |
MCSProgressCallback | ProgressCallback |
void * | ProgressCallbackUserData |
MCSFinalMatchCheckFunction | FinalMatchChecker |
std::string | InitialSeed |
MCSAtomCompareParameters RDKit::MCSParameters::AtomCompareParameters |
Definition at line 106 of file FMCS.h.
Referenced by RDKit::FMCS::RingMatchTableSet::computeRingMatchTable().
MCSAtomCompareFunction RDKit::MCSParameters::AtomTyper |
Definition at line 108 of file FMCS.h.
Referenced by RDKit::FMCS::RingMatchTableSet::computeRingMatchTable().
MCSBondCompareParameters RDKit::MCSParameters::BondCompareParameters |
Definition at line 107 of file FMCS.h.
Referenced by RDKit::FMCS::RingMatchTableSet::computeRingMatchTable().
MCSBondCompareFunction RDKit::MCSParameters::BondTyper |
Definition at line 109 of file FMCS.h.
Referenced by RDKit::FMCS::RingMatchTableSet::computeRingMatchTable().
MCSFinalMatchCheckFunction RDKit::MCSParameters::FinalMatchChecker |
MCSProgressCallback RDKit::MCSParameters::ProgressCallback |