> Why is this:
>
> var strMods = Jmol.getPropertyAsJavaObject(jmolApplet0,"moleculeInfo.mf");
>
> better than this:
>
> var strMods =Jmol.evaluateVar(jmolApplet0,
> "getProperty('moleculeInfo.mf')”)
>
>
I don't know if it is better on not.
strMods1 = Jmol.getPropertyAsJavaObject(jmolApplet0,"moleculeInfo.mf");
strMods1.__CLASS_NAME__
"JU.Lst"
strMods1.get(0)
"H 10 C 8 N 4 O 2"
typeof strMods1.get(0)
"string"
strMods =Jmol.evaluateVar(jmolApplet0, "getProperty('moleculeInfo.mf')")
Array [ "H 10 C 8 N 4 O 2" ]
strMods1.get(0) == strMods[0]
true
So it's the same. But the second one has been processed through a JSON
creation/eval sequence, so depending upon how much information you are
getting, it could take longer and/or not be exactly what was there.
I’ll admit it was fun converting all my get properties to get java objects,
> but I’m not sure why I did it! It’s a little strange to be writing java
> expressions on a javascript page. I think I am, however, slowly grasping
> what actually happens during the java to javascript transition.
>
> I only experienced one problem in these conversions. This javascript
> expression: Math.max.apply( Math, w ), requires an array for w. When I get
> the java object for “boundboxInfo.vector,” I needed to convert it to an
> actual array. I did not know how to do that other than converting it to a
> string and using the split on comma trick.
>
> Otis
>
> --
> Otis Rothenberger
> o...@chemagic.org
> http://chemagic.org
>
> On Mar 29, 2016, at 8:36 AM, Robert Hanson <hans...@stolaf.edu> wrote:
>
> I have no idea. What are you trying to do?
>
> For molecular formula you can now use (Jmol Script):
>
> mf = {*}.element.all.pivot
>
> print mf
>
> {
> "C" : 2
> "Fe" : 15
> }
>
> And then put it together however you want to.
>
>
> On Sun, Mar 27, 2016 at 9:30 PM, Otis Rothenberger <osrot...@icloud.com>
> wrote:
>
>> Bob,
>>
>> Before I get to my questions, I’ll note that I discovered that I could
>> get the number of models directly from the java object approach - forget
>> the previous emails on this subject. Now to the point of this email...
>>
>> I think I’m catching on, but I don’t fully get it. I see the ease of
>> grabbing a single property, and I converted some of my code to do that. But
>> consider the old and new way below. In both snippets, I’m getting the
>> molecular formulas of a number of models in the window and calculating the
>> mono-isotopic mass of each. The regex expressions are just getting the
>> formulas into arithmetic format with symbols defined as numeric variables
>> in the over all function. It’s just this snippet that concerns me in this
>> email:
>>
>> OLD WAY
>> var strMods =Jmol.evaluateVar(jmolApplet0,
>> "getProperty('moleculeInfo.mf')").toString().split(",”);
>> for (var i = 0; i < strMods.length; i++) {
>> strMods[i] = strMods[i].replace(/([a-z])\s([0-9])/ig,
>> '$1\*$2').replace(/([0-9])\s([a-z])/ig, '$1\+$2');
>> echoStr += "" + roundnum(eval(strMods[i]), 4) + " | ";
>> }
>>
>> NEW WAY
>> var strMods =
>> Jmol.getPropertyAsJavaObject(jmolApplet0,"moleculeInfo.mf"); var mf;
>> for (var i = 0; i < strMods.size(); i++) {
>> mf = strMods.get(i).replace(/([a-z])\s([0-9])/ig,
>> '$1\*$2').replace(/([0-9])\s([a-z])/ig, '$1\+$2');
>> echoStr += "" + roundnum(eval(mf), 4) + " | ";
>> }
>>
>> Both work, but two questions:
>>
>> 1) Am I on the right track with the NEW WAY? It works, but could the code
>> be cleaner?
>> 2) One advantage of the NEW WAY is that this is a monstrosity in the OLD
>> WAY:
>>
>> var strMods =Jmol.evaluateVar(jmolApplet0,
>> "getProperty('moleculeInfo.mf')").toString().split(",”);
>>
>> The NEW WAY I have an object ready to go. Are there other advantages?
>>
>> Otis
>>
>> --
>> Otis Rothenberger
>> o...@chemagic.org
>> http://chemagic.org
>>
>>
>>
>> ------------------------------------------------------------------------------
>> Transform Data into Opportunity.
>> Accelerate data analysis in your applications with
>> Intel Data Analytics Acceleration Library.
>> Click to learn more.
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>> _______________________________________________
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>> https://lists.sourceforge.net/lists/listinfo/jmol-users
>>
>
>
>
> --
> 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
>
>
> ------------------------------------------------------------------------------
> Transform Data into Opportunity.
> Accelerate data analysis in your applications with
> Intel Data Analytics Acceleration Library.
> Click to learn more.
>
> http://pubads.g.doubleclick.net/gampad/clk?id=278785471&iu=/4140_______________________________________________
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
>
>
> ------------------------------------------------------------------------------
> Transform Data into Opportunity.
> Accelerate data analysis in your applications with
> Intel Data Analytics Acceleration Library.
> Click to learn more.
> http://pubads.g.doubleclick.net/gampad/clk?id=278785471&iu=/4140
> _______________________________________________
> Jmol-users mailing list
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> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
--
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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Accelerate data analysis in your applications with
Intel Data Analytics Acceleration Library.
Click to learn more.
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