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
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