OEIsRotor
class OEIsRotor : public OESystem::OEUnaryPredicate<OEChem::OEBondBase>
This class represents OEIsRotor functor that identifies rotatable bonds (OEBondBase).
See also
OEGetRotatableBondCountfunction in OEMolProp TK
Example programs molstats.py and rotorcount.py
The following methods are publicly inherited from OEUnaryPredicate:
The following methods are publicly inherited from OEUnaryFunction:
Constructors
OEIsRotor(includeHydrogen: bool = False) -> OEIsRotor
Default and copy constructors.
operator()
__call__(bond: OEBondBase) -> bool
Returns true, if the OEBondBase.IsRotor
method returns true for the given
OEBondBase object.
CreateCopy
CreateCopy() -> OEIsRotor
Deep copy constructor that returns a copy of the object. The memory for the returned OEIsRotor object is dynamically allocated and owned by the caller.