Re: [Jmol-users] I got it

[Robert H. <ha...@st...>]

On Sat, Nov 2, 2013 at 9:27 PM, Otis Rothenberger <osr...@ch...>wrote:

> Bob,
>
> I got it. I don't know what to do with it, but I got it. The following
> starts to work properly in Safari on a bond selection bond rotation:
>
> set Picking OFF;set Picking ON;set BondPicking TRUE;set
> allowRotateSelected TRUE;unbind "SHIFT-SINGLE-LEFT-DRAG";bind
> "SHIFT-SINGLE-LEFT-DRAG" "select WITHIN(BRANCH,{atomno=rot1},
> {atomno=rot2}); if (_X < 250){select WITHIN(BRANCH,{atomno=rot2},
> {atomno=rot1});} rotateSelected {atomno=rot1} {atomno=rot2}
> @{_DELTAY};";hover off;
>
>
Since rot1 and rot2 are predetermined, I would suggest not saving them per
se, but, rather, saving the atom selections (and use atomIndex!)

rot1 = .....
rot2 = .....

a1 = {atomIndex=rot1};
a2 = {atomIndex=rot2};
b1 = {WITHIN(BRANCH,a1,a2)};
b2 = {WITHIN(BRANCH,a2, a1)};

and the binding is more like:

"if (_X < 250){select b2} else {select b1};rotateSelected @a1 @a2"

certainly makes it more readable!

Note that if you are going to dig into it,

1) use

Jmol.debugCode = true

in your HTML, and then track down problems in j2s or js directories. Then
you aren't looking at minimized code. Also you can do more than just alert
values:

alert("here at " + Clazz.getStackTrace())

gives you a listing of the function calls leading to this point. Could be
useful. Also, better than alerts for things like this:

System.out.println("......")

sends messages to that information console "behind" the applet that you see
at start-up and that is viewable with:

jmolApplet0._showInfo(true)




> I can play with rotations on both sides of the screen, then suddenly
> continued dragging throws about 20 of these:
>
> script ERROR: TypeError: 'undefined' is not an object (evaluating
> 'this.parameterExpression(a,b,null,!0,!1,-1,!1,
> null,null).booleanValue')
>
>
This is a very good find. There's only one place in the code that  occurs.
It's processing your IF statement, I think.





> If I continue to drag, JSmol locks up. I've seen this error before, but I
> did not associate it with dragging under the above bind.
>
> Any thoughts/suggestions would be appreciated
>
>
invoke

  set debugScript true

possibly even

  set debug true

then check the Jmol script console for reports. I think it will report the
callbacks as well.


Bob



> Otis
>
> --
> Otis Rothenberger
> ot...@ch...
> http://chemagic.com
>
>
>
>
>
>
>
>
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-- 
Robert M. Hanson
Larson-Anderson Professor 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