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RDKit
Open-source cheminformatics and machine learning.
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#include <FMCS.h>
Public Attributes | |
bool | MaximizeBonds = true |
double | Threshold = 1.0 |
unsigned | Timeout = -1 |
bool | Verbose = false |
MCSAtomCompareParameters | AtomCompareParameters |
MCSBondCompareParameters | BondCompareParameters |
MCSAtomCompareFunction | AtomTyper = MCSAtomCompareElements |
MCSBondCompareFunction | BondTyper = MCSBondCompareOrder |
void * | CompareFunctionsUserData = nullptr |
MCSProgressCallback | ProgressCallback |
void * | ProgressCallbackUserData = nullptr |
MCSFinalMatchCheckFunction | FinalMatchChecker |
std::string | InitialSeed = "" |
MCSAtomCompareParameters RDKit::MCSParameters::AtomCompareParameters |
Definition at line 99 of file FMCS.h.
Referenced by RDKit::FMCS::RingMatchTableSet::computeRingMatchTable().
MCSAtomCompareFunction RDKit::MCSParameters::AtomTyper = MCSAtomCompareElements |
Definition at line 101 of file FMCS.h.
Referenced by RDKit::FMCS::RingMatchTableSet::computeRingMatchTable().
MCSBondCompareParameters RDKit::MCSParameters::BondCompareParameters |
Definition at line 100 of file FMCS.h.
Referenced by RDKit::FMCS::RingMatchTableSet::computeRingMatchTable().
MCSBondCompareFunction RDKit::MCSParameters::BondTyper = MCSBondCompareOrder |
Definition at line 102 of file FMCS.h.
Referenced by RDKit::FMCS::RingMatchTableSet::computeRingMatchTable().
void* RDKit::MCSParameters::CompareFunctionsUserData = nullptr |
MCSFinalMatchCheckFunction RDKit::MCSParameters::FinalMatchChecker |
MCSProgressCallback RDKit::MCSParameters::ProgressCallback |
void* RDKit::MCSParameters::ProgressCallbackUserData = nullptr |