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OELibraryGen()
OELibraryGen(const char *smirks, bool strictSmirks=true)
Initialize an OELibraryGen instance with a SMIRKS pattern.
Success of initialization can be tested using the operator bool
method. The second constructor argument is used to specify whether
the SMIRKS string should be interpreted using strict SMIRKS semantics.
If the default value of true is used, the SMIRKS string must have
corresponding reaction mapped reactant and product atoms. Mapped
product atoms that do not have corresponding mapped reactant atoms are
considered invalid SMIRKS and will result in a failure to initialize
the OELibraryGen instance. Strict SMIRKS also requires
unmapped reactant atoms to be destroyed in the reaction. Passing a
boolean value of false to the second method argument will relax both
of the strict SMIRKS restrictions.
OELibraryGen(const OELibraryGen &rhs)
Copy constructor. Constructs a copy of the OELibraryGen
instance given as the argument to the constructor.
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