#include <RingMatchTableSet.h>
Definition at line 17 of file RingMatchTableSet.h.
RDKit::FMCS::RingMatchTableSet::RingMatchTableSet |
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inline |
void RDKit::FMCS::RingMatchTableSet::addTargetBondRingsIndeces |
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const ROMol * |
mol2 | ) |
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inline |
void RDKit::FMCS::RingMatchTableSet::clear |
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inline |
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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const std::vector<size_t>& RDKit::FMCS::RingMatchTableSet::getQueryBondRings |
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unsigned |
bi | ) |
const |
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inline |
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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inline |
void RDKit::FMCS::RingMatchTableSet::init |
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const ROMol * |
query | ) |
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inline |
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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inline |
bool RDKit::FMCS::RingMatchTableSet::isQueryBondInRing |
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unsigned |
bi | ) |
const |
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inline |
bool RDKit::FMCS::RingMatchTableSet::isTargetBondInRing |
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const ROMol * |
target, |
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unsigned |
bi |
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| const |
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inline |
The documentation for this class was generated from the following file: