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RDKit
Open-source cheminformatics and machine learning.
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#include <FMCS.h>
Public Member Functions | |
void | setMCSAtomTyperFromEnum (AtomComparator atomComp) |
void | setMCSAtomTyperFromConstChar (const char *atomComp) |
void | setMCSBondTyperFromEnum (BondComparator bondComp) |
void | setMCSBondTyperFromConstChar (const char *bondComp) |
void RDKit::MCSParameters::setMCSAtomTyperFromEnum | ( | AtomComparator | atomComp | ) |
void RDKit::MCSParameters::setMCSBondTyperFromEnum | ( | BondComparator | bondComp | ) |
MCSAtomCompareParameters RDKit::MCSParameters::AtomCompareParameters |
Definition at line 143 of file FMCS.h.
Referenced by RDKit::FMCS::RingMatchTableSet::computeRingMatchTable().
MCSAtomCompareFunction RDKit::MCSParameters::AtomTyper = MCSAtomCompareElements |
Definition at line 145 of file FMCS.h.
Referenced by RDKit::FMCS::RingMatchTableSet::computeRingMatchTable().
MCSBondCompareParameters RDKit::MCSParameters::BondCompareParameters |
Definition at line 144 of file FMCS.h.
Referenced by RDKit::FMCS::RingMatchTableSet::computeRingMatchTable().
MCSBondCompareFunction RDKit::MCSParameters::BondTyper = MCSBondCompareOrder |
Definition at line 146 of file FMCS.h.
Referenced by RDKit::FMCS::RingMatchTableSet::computeRingMatchTable().
Definition at line 147 of file FMCS.h.
Referenced by RDKit::FMCS::RingMatchTableSet::computeRingMatchTable().
MCSFinalMatchCheckFunction RDKit::MCSParameters::FinalMatchChecker |
MCSProgressCallback RDKit::MCSParameters::ProgressCallback |