OECountΒΆ

unsigned int OECount(const OEMolBase &mol, const OESubSearch &ss, bool uniquematch=false)

Returns the number of substructure search matches for the given molecule.

uniquematch
If true then only the unique matches will be counted. See more details in OESubSearch.Match method.
unsigned int OECount(const OEMolBase &mol,
                     const OESystem::OEUnaryPredicate<OEAtomBase> &)

Returns the number of atoms (OEAtomBase) matching the given predicate.

unsigned int OECount(const OEAtomBondSet &abset,
                     const OESystem::OEUnaryPredicate<OEAtomBase> &)

Returns the number of atoms (OEAtomBase) matching the given predicate from the provided container.

unsigned int OECount(const OEMolBase &mol,
                     const OESystem::OEUnaryPredicate<OEBondBase> &)

Returns the number of bonds (OEBondBase) matching the given predicate.

unsigned int OECount(const OEAtomBondSet &abset,
                     const OESystem::OEUnaryPredicate<OEBondBase> &)

Returns the number of bonds (OEBondBase) matching the given predicate from the provided container.

unsigned int OECount(const OEMolBase &mol,
                     const OESystem::OEUnaryPredicate<OEGroupBase> &)

Returns the number of groups (OEGroupBase) matching the given predicate.