class OETyperMolFunction : public OEMolFunctionBase
This class represents
OETyperMolFunction and OETautomerMolFunction
are similar, however it is expected that they will diverge more
over time. They share the same first four arguments. The first
argument is the oemolstream where the enumerated molecules will be
placed. The second argument is a boolean indicating whether
aromaticity should be calculated for the enumerated structure. The
third argument is a boolean indicating whether the enumerated
states should only be counted (rather than actually listed). The
fourth argument is an unsigned int indicating the maximum number of
states that should be enumerated for any single input molecule.
OETyperMolFunction(OEChem::oemolostream &ofp, bool arom, bool ct=false, unsigned int max=0)
Default and copy constructors.
bool operator()(const OEChem::OEMolBase &inmol)
base_type *CreateCopy() const
This method will reset the internal counter and should be called before reusing an OETyperMolFunction instance.