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:

OEMatch

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.

The returned copy should be deallocated using C++ delete operator in order to prevent a memory leak.

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.