Describe the bug
In the current documentation of python's Chem.GetSSSR,
the return value description mistakenly states the the return value is not an int (the SSSR size), but a sequence
> RETURNS: a sequence of sequences containing the rings found as atom ids
> The length of this will be equal to NumBonds-NumAtoms+1 for single-fragment molecules.
which is misleading. It would be nice to
- change the wording
- explicitly mention
GetSymmSSSR for those who need a sequence and not the count
- [Feature request] add
FindSSSR to the python's wrap to have both strict and SymmSSSR ways to compute SSSR.
Also, the function names themselves are misleading since GetSSSR returns an int, and GetSymmSSSR returns a sequence of tuples, but I guess that changing them would spoil the backward compatibility.
Configuration (please complete the following information):
Describe the bug
In the current documentation of python's
Chem.GetSSSR,the return value description mistakenly states the the return value is not an
int(the SSSR size), but a sequencewhich is misleading. It would be nice to
GetSymmSSSRfor those who need a sequence and not the countFindSSSRto the python's wrap to have both strict and SymmSSSR ways to compute SSSR.Also, the function names themselves are misleading since
GetSSSRreturns anint, andGetSymmSSSRreturns a sequence of tuples, but I guess that changing them would spoil the backward compatibility.Configuration (please complete the following information):