huh?
On Mon, Mar 7, 2016 at 7:17 PM, Otis Rothenberger <osrot...@icloud.com>
wrote:
> Bob,
>
> Rats! It’s reporting no difference, but there is a difference. This seems
> to be OK:
>
> $("#log").html(nci==calc ? "no difference" : "check differences?”);
>
> Calc seems to be OK. The problem is what’s printed on the screen for calc.
>
> Otis
>
> --
> Otis Rothenberger
> o...@chemagic.org
> http://chemagic.org
>
> > On Mar 7, 2016, at 6:33 PM, Otis Rothenberger <osrot...@icloud.com>
> wrote:
> >
> > Bob,
> >
> > I think it may be a timing issue with the function below. When I comment
> out the initial JQuery working… html replacements, the page no longer
> “locks.” I don’t think it was really locking. I think those html
> replacements somehow ran after the subsequent code. Which…
> >
> > makes absolutely no sense to me! Nevertheless, it seems to fix the
> problem.
> >
> > function getInChI(app,url) {
> > //$("#inchi2div").html("working...");
> > //$("#inchi1div").html("working...");
> > //$("#log").html("working...");
> > if (!url) { return; }
> > nci = Jmol.evaluateVar(jmolApplet0,"show('chemical
> stdinchi')").trim();
> > $("#inchi2div").html(nci + " (from
> NCI/CADD)");
> > calc =
> InChI.fromMolfile(Jmol.evaluateVar(jmolApplet0,"write('MOL')")).trim();
> > $("#inchi1div").html(calc + " (calculated
> in JavaScript)");
> > $("#log").html(nci==calc ? "no difference" : "check differences?");
> > }
> >
> > Otis
> >
> > --
> > Otis Rothenberger
> > o...@chemagic.org
> > http://chemagic.org
> >
> >> On Mar 7, 2016, at 4:37 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> >>
> >> Otis, note that there is a bug there. If you ask for the models in this
> order:
> >>
> >> $taxol
> >> $morphine
> >>
> >> inchi.js seems to hang and just never respond. Something to do with the
> fact that $taxol is pathologically 2D and not 3D. But
> >>
> >> $taxol
> >> $methanol
> >>
> >> works, until you ask for $morphine. Then it hangs.
> >>
> >> Go figure!
> >>
> >>
> >> Bob
> >>
> >>
> >>
> >>
> >
>
>
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
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