rapodaca / dialect

Documenting a subset of the SMILES language.
MIT License
13 stars 0 forks source link

Stereodescriptors only valid on tetracoordinate atoms. #33

Closed rapodaca closed 2 years ago

rapodaca commented 2 years ago

Discussion of stereo descriptors should indicate that it is an error to assign one to anything other than a tetracoordinate atom.

johnmay commented 2 years ago

Is C[S@](=O)CC tetracoordinate?

johnmay commented 2 years ago

Likewise C1[N@](O1)CC

rapodaca commented 2 years ago

Is C[S@](=O)CC tetracoordinate?

No, but it is tetravalent.

Likewise C1[N@](O1)CC

No.

It may be a good idea to define the term, or just replace it with "an atom having four neighbors."