OEIsRGroup¶
class OEIsRGroup : public OESystem::OEUnaryPredicate<OEChem::OEAtomBase>
This class represents OEIsRGroup functor that identifies atoms (OEAtomBase) with any or a specific R-group.
The following methods are publicly inherited from OEUnaryPredicate:
The following methods are publicly inherited from OEUnaryFunction:
Constructors¶
OEIsRGroup(unsigned int idx=0)
Constructs the functor with the internal R-group index.
With no arguments, this constructs a functor which returns true
for any atom with a non-zero R-group index. When constructed with a
non-zero integer, it constructs a functor which return true for
atoms which have the same R-group index as the constructor argument.
operator()¶
bool operator()(const OEAtomBase &atom) const
Returns true, if the OEAtomBase::GetAtomicNum() == 0
and the index returned by the
OEAtomBase::GetMapIdx method for the given
OEAtomBase object is equivalent to the non-zero index
number with which the functor is constructed.
Returns true, if the OEAtomBase::GetAtomicNum() == 0
and the index returned by the
OEAtomBase::GetMapIdx method for the given
OEAtomBase object is non-zero when the index
number with which the functor is constructed is 0.
CreateCopy¶
OESystem::OEUnaryFunction<OEChem::OEAtomBase , bool> *CreateCopy() const
Deep copy constructor that returns a copy of the object. The memory for the returned OEIsRGroup 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.