OEMatchBase

class OEMatchBase : public OESystem::OERoleSet

The OEMatchBase class is the abstract interface for representing the equivalences or correspondences found in a substructure (or similar) match. The OEMatchBase class can represent substructure hits, maximal common subgraph fragments, tautomer equivalences, automorphisms and sequence alignments.

The following methods are publicly inherited from OERoleSet:

AddRole GetRoles  
ClearRoles HasRole  
DeleteRole NumRoles  
The following classes derive from this class:

operator bool

operator bool() const

Same as the OEMatchBase.IsValid method.

Clear

void Clear()=0

Removes all atom and bond of pairs from any object derived from OEMatchBase and clears the OERoleSet.

CreateCopy

OEMatchBase *CreateCopy() const

Deep copy constructor that returns a copy of the object. The memory for the returned object derived from OEMatchBase is dynamically allocated and owned by the caller.

GetAtoms

OESystem::OEIterBase<OEMatchPair<OEAtomBase> > *GetAtoms() const =0

Returns an iterator over OEMatchPairs which contain the atom to atom correspondences in the OEMatchBase object. The returned OEIterBase pointer should be assigned to an OEIter object to prevent memory leaks.

GetBonds

OESystem::OEIterBase<OEMatchPair<OEBondBase> > *GetBonds() const =0

Returns an iterator over OEMatchPairs which contain the bond to bond correspondences in the OEMatchBase object. The returned OEIterBase pointer should be assigned to an OEIter object to prevent memory leaks.

GetPatternAtoms

OESystem::OEIterBase<OEAtomBase> *GetPatternAtoms() const

Returns an iterator over the match-ordered atoms of the pattern molecule. The returned OEIterBase pointer should be assigned to an OEIter object to prevent memory leaks.

GetPatternBonds

OESystem::OEIterBase<OEBondBase> *GetPatternBonds() const

Returns an iterator over the match-ordered bonds of the pattern molecule. The returned OEIterBase pointer should be assigned to an OEIter object to prevent memory leaks.

GetTargetAtoms

OESystem::OEIterBase<OEAtomBase> *GetTargetAtoms() const

Returns an iterator over the match-ordered atoms of the target molecule. The returned OEIterBase pointer should be assigned to an OEIter object to prevent memory leaks.

GetTargetBonds

OESystem::OEIterBase<OEBondBase> *GetTargetBonds() const

Returns an iterator over the match-ordered bonds of the target molecule. The returned OEIterBase pointer should be assigned to an OEIter object to prevent memory leaks.

IsValid

bool IsValid() const

Returns if at least one atom or one bond equivalence is stored in the OEMatchBase object.

NumAtoms

unsigned int NumAtoms() const =0

Returns the number of atom equivalences in a match.

NumBonds

unsigned int NumBonds() const =0

Returns the number of bond equivalences in a match.