OEHasFormalCharge
class OEHasFormalCharge : public OESystem::OEUnaryPredicate<OEChem::OEAtomBase>
This class represents OEHasFormalCharge functor that identifies atoms (OEAtomBase) with a specific formal charge.
The following methods are publicly inherited from OEUnaryPredicate:
The following methods are publicly inherited from OEUnaryFunction:
Constructors
OEHasFormalCharge(c: int) -> OEHasFormalCharge
Constructs the functor with the given formal charge.
operator()
__call__(atom: OEAtomBase) -> bool
Returns true, if the charge returned by the
OEAtomBase.GetFormalCharge method for the given OEAtomBase
object is equivalent to the charge with which the functor is constructed.
CreateCopy
CreateCopy() -> OEHasFormalCharge
Deep copy constructor that returns a copy of the object. The memory for the returned OEHasFormalCharge object is dynamically allocated and owned by the caller.