OEIsRxnComponentGroup

class  OEIsRxnComponentGroup : public OESystem::OEUnaryPredicate<OEGroupBase>

This class represents the OEIsRxnComponentGroup functor that identifies groups (OEGroupBase) that represent reaction component information which contain at least one atom identified by OEAtomBase::GetRxnRole as being any of:

• OERxnRole::Reactant

• OERxnRole::Agent

• OERxnRole::Catalyst

• OERxnRole::Product

See also

• OEGroupType for built-in group types.

• OERxnRole for reaction role types.

The following methods are publicly inherited from OEUnaryPredicate:

operator()

CreateCopy

CreatePredicateCopy

The following methods are publicly inherited from OEUnaryFunction:

operator()

CreateCopy

Constructors

OEIsRxnComponentGroup()

Default constructor.

operator()

bool operator()(const OEGroupBase &group) const

Returns true, if the value returned by the OEGroupBase::GetGroupType method is equal to the following constant:

• OEGroupType::Component

and which contain one or more atoms identified as either a reactant or product.

CreateCopy

OESystem::OEUnaryFunction<OEGroupBase, bool> *CreateCopy() const

Deep copy constructor that returns a copy of the object. The memory for the returned OEIsRxnComponentGroup 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.