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.

See also

unsigned OECount(const OEMonomerSet& monomers,
                 const OESystem::OEUnaryPredicate<OEMonomer>& pred)

Attention

This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.

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