OEIsRotor¶
class OEIsRotor : public OESystem::OEUnaryPredicate<OEChem::OEBondBase>
This class represents OEIsRotor
functor that
identifies rotatable bonds (OEBondBase
).
See also
rotatable bond definition in the Glossary chapter
OEGetRotatableBondCount
function in OEMolProp TK
Example programs molstats.cpp and rotorcount.cpp
The following methods are publicly inherited from OEUnaryPredicate
:
The following methods are publicly inherited from OEUnaryFunction
:
operator()¶
bool operator()(const OEBondBase &bond) const
Returns true
, if the OEBondBase::IsRotor
method returns true
for the given
OEBondBase
object.
CreateCopy¶
OESystem::OEUnaryFunction<OEChem::OEBondBase , bool> *CreateCopy() const
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.
The returned copy should be deallocated using C++ delete operator in order to prevent a memory leak.