You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
The documentation of the Inchi methods in the rdinchi module should be improved.
More specifically:
These methods (MolToInchi and InchiToMol) return a tuple, but we have no inkling of the structure of the tuple (e.g. 0th element is the inchi / mol, but what are the 1st and 2nd elements?).
The documentation of the Inchi methods in the rdinchi module should be improved.
More specifically:
These methods (MolToInchi and InchiToMol) return a tuple, but we have no inkling of the structure of the tuple (e.g. 0th element is the inchi / mol, but what are the 1st and 2nd elements?).
MolToInchi(...) needs a link to page 22 of http://www.inchi-trust.org/fileadmin/user_upload/software/inchi-v1.04/InChI_UserGuide.pdf for the options specification. Also, the spec here is ambiguous with -opt for Linux and /opt for Windows -- how should one specify the options?
The text was updated successfully, but these errors were encountered: