just the way it was implemented. But you can set atomName, atomType, and
format in order to add string data to atoms. I'm sure that's not at all
clear from the documentation.
Bob
On Mon, Apr 13, 2015 at 11:07 AM, Rolf Huehne <rhue...@fli-leibniz.de>
wrote:
> Hi Bob and others,
>
> the documentation isn't very clear about it but it seems that
> user-defined atom properties can only be floating point numbers but not
> strings, integer numbers or boolean values in Jmol 14.3.13_2015.04.08.
>
> ---- Examples -------
> load =1deh;
> {atomno=1}.property_test1="string";
> {atomno=1}.property_test2=5;
> {atomno=1}.property_test3=0.04;
> {atomno=1}.property_test4=false;
> print "test1=" + {atomno=1}.property_test1;
> print "test2=" + {atomno=1}.property_test2;
> print "test3=" + {atomno=1}.property_test3;
> print "test4=" + {atomno=1}.property_test4;
>
> --- Example Output --------
> test1=NaN
> test2=5.0
> test3=0.040000003
> test4=NaN
> ---------------------------
>
> Q: Is there a specific reason why only floating point numbers seem to be
> possible or were the other types just not implemented (yet)?
>
> Regards,
> Rolf
>
> --
>
> Rolf Huehne
> Postdoc
>
> Leibniz Institute for Age Research - Fritz Lipmann Institute (FLI)
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> Phone: +49 3641 65 6205
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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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