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OESubSearch()
Default constructor.
OESubSearch(const char *smarts, bool reorder=true)
Construct an instance of an OESubsearch object using a SMARTS
pattern. The SMARTS pattern is passed as the first argument to the
constructor.
The Boolean reorder flag determines the match order of the query
atoms and bonds. If reorder is set to true then the atoms and bonds will be
matched in an arbitrary order. If false, atoms and bonds will be
matched using the input order of the SMARTS pattern.
OESubSearch(const OEQMolBase &qmol, bool reorder=true)
Construct an instance of an OESubSearch object using a query
molecule (OEQMolBase). The query molecule is passed as the first
argument to the constructor. Query molecules must have atom and bond
expressions (see OEQMolBase::BuildExpressions) built for the
entire molecule before being passed to this constructor. Failure to do
so will result in the OESubSearch instance being constructed as
uninitialized. The Boolean reorder flag determines the match order of
the query atoms and bonds. If reorder is set to true then the atoms and
bonds will be matched in an arbitrary order. If false, atoms and bonds
will be matched in the order that they appear in the query molecule.
OESubSearch(const OESubSearch &ss)
Copy constructor.
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