#9 Allow Rgroup 'Rnumber' entry in SMILES pattern

[Joerg Kurt Wegner]

Allow Rgroup entry in SMILES patterns, analogue to
Rgroup entries in SDF files.

Please check at first if there exists not already a
'standard' entry type for such things.

Regards, Joerg

[Joerg Kurt Wegner]

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If anyone has time this is not that difficult to implement,
if having a closer look at:
joelib/src/joelib/io/types/MDLSD.java
joelib/src/joelib/smiles/JOESmilesParser.java
Only 'Rnumber' entries should be parsed and stored in
'RgroupDescriptors ' as done by MDLSD.java
Then you can use e.g. the
joelib/src/joelib/molecule/generation/MolGenerationHelper.java
to attach Rgroups to this scaffold.

[Joerg Kurt Wegner]

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Additional request for group contribution prediction, but in
this request the R-SMILES entry was requested as radical ?
So we must at first decide what R means in general.