OECount

OECount(arg1: Union[OEGraphMol,OEMol,OEQMol], arg2: OESubSearch,
        uniquematch: bool = False) -> int

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.

OECount(arg1: Union[OEGraphMol,OEMol,OEQMol], arg2: OEUnaryAtomPred) -> int

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

OECount(abset: OEAtomBondSet, atompred: OEUnaryAtomPred) -> int

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

OECount(arg1: Union[OEGraphMol,OEMol,OEQMol], arg2: OEUnaryBondPred) -> int

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

OECount(abset: OEAtomBondSet, bondpred: OEUnaryBondPred) -> int

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

OECount(arg1: Union[OEGraphMol,OEMol,OEQMol], arg2: OEUnaryGroupPred) -> int

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

See also

• OECount functions in OESystem TK

OECount(monomers: OEMonomerSet, pred: OEUnaryMonomerPred) -> int

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.

See also

• OEMonomerSet class