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rapodaca / dialect

Documenting a subset of the SMILES language.
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Discuss fully selected pyrrole #42

Closed rapodaca closed 2 years ago

rapodaca commented 2 years ago

This is a constant point of confusion in SMILES. Clarifying it deals with this specific concern and illustrates the purpose and function of the DS.

Start by interpreting the meaning of the string c1cccn1. Run through the pruning algorithm (#41), which leaves all atoms unpruned. Finish with the error resulting from the lack of a perfect matching.

This probably best follows the discussion on pruning (#41).

rapodaca commented 2 years ago

As noted in JCICS, Hn1cccc1 and [H]n1cccc1 are both valid representations of pyrrole. The reason is in each case pruning is possible.