[phenixbb] Planarity restraint ignored when dist_esd equal to 0
pafonine at lbl.gov
Tue Sep 27 08:53:19 PDT 2016
> Yes, it would be problematic if 0 is not treated specially. What we
> normally expect might be the planarity constraint if sigma is 0.
with this logic you interpret the number and not use it. Follow this
road you may end up with odd things, like let's treat 0 as
"constraints", 0.1 as "strong restraints", 1.5 as "weak restraints", etc
and in each case do something very different - I hope you get the idea.
What's done currently is there is a number, there is a formula that this
number goes into, and there is a piece of code that uses the number and
formula in a way to avoid numeric issues. As simple as this, no
I believe using 0 as a trigger to tell that you want something else than
what these numbers are used for otherwise is not the best way (why not
put None or something?).
All the best,
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