Brilliant. So I see the logic. This is chemistry not computer science.
Thank you, John. I will adjust the algorithm. Pretty easy fix.
On Tue, Apr 11, 2017 at 7:54 AM, John Mayfield <john.wilkinson...@gmail.com>
wrote:
> John, what basis in the IUPAC rules leads you to this reading?
>
>
> That the rules :-) - I did warn you it's madness. Read the original papers
> CIP papers and the IUPAC document carefully.
>
> from IUPAC
>
> The rules are hierarchical, i.e., each rule must be exhaustively applied
>> in the order given until a decision is reached:
>
>
> from Prelog and Helmchen 1982:
>
> Those atoms in the n-th sphere which are of equal rank with respect to
>> those in the (n-1)th sphere to which they are bonded are graded by means of
>> the sequence *rules and these are applied exhaustively in turn: first
>> the entire hierarchical graph is examined by sequence rule 1. If a clear
>> precedence over other ligands can be established, the examination of that
>> particular ligand is concluded. If ligands remain whose rank is not
>> provided by sequence rule **1, **then one uses sequence rule 2, once
>> again exhaustively*, and so forth. While this procedure is in accordance
>> with precepts published earlier“] it now makes clear, we hope, that a rank
>> established for a sphere nearer to the core re- mains valid with respect to
>> atoms in more distant spheres (Fig. 15).
>
>
>
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