OECount¶

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.