Just added to Jmol 12.1.8:
print getProperty("shapeInfo.isosurface.ID")
isosurface1
s2
surface3
That is, if a property happens to be a list of associative arrays (a very
common thing), then whereas normally you would think you would have to do
this:
print getProperty("shapeInfo.isosurface[1].ID")
print getProperty("shapeInfo.isosurface[2].ID")
print getProperty("shapeInfo.isosurface[3].ID")
since Jmol knows isosurface is a list, and ".ID" only refers to associative
arrays, we can assume you want the list of IDs of all the isosurfaces. 10
lines of code! :)
Bob
On Fri, Aug 20, 2010 at 9:01 PM, Robert Hanson <[email protected]> wrote:
>
>
> On Fri, Aug 20, 2010 at 6:56 PM, Eran Hodis <[email protected]>wrote:
>
>> Hi Bob,
>>
>> I'm interested in saving all the isosurface data in a given Jmol state as
>> a jvxl file. The idea is to not only save the Jmol state for later recall,
>> but also save all necessary isosurfaces so that when the state is recalled
>> the user does not have to wait for surface calculation.
>>
>> I can issue the command "show isosurface" and then save that as a jvxl,
>> and that works great but only if there is only one isosurface. If there are
>> several isosurfaces, I think I only get the most recently created
>> isosurface. How can I access the isosurface data for all existing
>> isosurfaces, assuming I don't know their names?
>>
>>
> Hi, Eran--
>
> I think you could just use write isosurface, not show isosurface. But let's
> see...
>
> You can get the names of all isosurfaces using
>
> isosurface list
>
> And you can write any particular one of them by using
>
> isosurface ID "foo"
>
> by itself (which "switches" to that isosurface) followed by
>
> write "foo.jvxl"
>
> Also, for a more programmatic way of getting isosurface information, you
> can use
>
> Var n = getProperty("shapeInfo.isosurface").length
>
> and then
>
> Var id = getProperty("shapeinfo.isosurface[1].id")
> Var id = getProperty("shapeinfo.isosurface[2].id")
>
> etc. up to n
>
>
> --Bob
>
>
>
>
>
>> Eran
>>
>>
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>
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> 1520 St. Olaf Ave.
> Northfield, MN 55057
> http://www.stolaf.edu/people/hansonr
> phone: 507-786-3107
>
>
> 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
>
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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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