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
:
- The following classes derive from this class:
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.