#include <RingMatchTableSet.h>
Definition at line 18 of file RingMatchTableSet.h.
◆ RingMatchTableSet()
RDKit::FMCS::RingMatchTableSet::RingMatchTableSet |
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◆ addTargetBondRingsIndeces()
void RDKit::FMCS::RingMatchTableSet::addTargetBondRingsIndeces |
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const ROMol * |
mol2 | ) |
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inline |
◆ clear()
void RDKit::FMCS::RingMatchTableSet::clear |
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◆ computeRingMatchTable()
void RDKit::FMCS::RingMatchTableSet::computeRingMatchTable |
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const ROMol * |
query, |
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const ROMol * |
targetMolecule, |
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const MCSParameters & |
parameters |
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inline |
Definition at line 134 of file RingMatchTableSet.h.
References RDKit::FMCS::Graph::addAtom(), RDKit::FMCS::Graph::addBond(), RDKit::MCSParameters::AtomCompareParameters, RDKit::MCSParameters::AtomTyper, RDKit::MCSParameters::BondCompareParameters, RDKit::RingInfo::bondRings(), RDKit::MCSParameters::BondTyper, RDKit::MCSBondCompareParameters::CompleteRingsOnly, RDKit::Bond::getBeginAtom(), RDKit::ROMol::getBondWithIdx(), RDKit::Bond::getEndAtom(), RDKit::Atom::getIdx(), RDKit::ROMol::getRingInfo(), RDKit::FMCS::NotSet, RDKit::MCSBondCompareParameters::RingMatchesRingOnly, RDKit::FMCS::SubstructMatchCustom(), and RDKit::FMCS::SubstructMatchCustomTable().
◆ getQueryBondRings()
const std::vector<size_t>& RDKit::FMCS::RingMatchTableSet::getQueryBondRings |
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unsigned |
bi | ) |
const |
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inline |
◆ getTargetBondRings()
const std::vector<size_t>& RDKit::FMCS::RingMatchTableSet::getTargetBondRings |
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const ROMol * |
target, |
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unsigned |
bi |
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◆ init()
void RDKit::FMCS::RingMatchTableSet::init |
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const ROMol * |
query | ) |
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◆ isEqual()
bool RDKit::FMCS::RingMatchTableSet::isEqual |
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const INT_VECT * |
r1, |
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const INT_VECT * |
r2, |
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const ROMol * |
mol2 |
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| const |
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◆ isQueryBondInRing()
bool RDKit::FMCS::RingMatchTableSet::isQueryBondInRing |
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unsigned |
bi | ) |
const |
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inline |
◆ isTargetBondInRing()
bool RDKit::FMCS::RingMatchTableSet::isTargetBondInRing |
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const ROMol * |
target, |
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unsigned |
bi |
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The documentation for this class was generated from the following file: