I still need to narrow down the problem, but I'm seeing something
strange with 12.0.RC16 that wasn't there in (quite) previous
versions.
Does it ring a bell or should I go on narrowing the exact
circumstances?
Applet, message callback is active (to report about the ongoing
minimization)
I activate the callback and minimize with a button. When I do it from
console or popu menu, the problem does not exist.
Problem: minimization does not run.
Error report:
messagecallback = "mCallB"
...scriptManager waiting for queue: 0 thread=Applet 12 LiveConnect
Worker Thread
Minimizing 17 atoms
minimize: initializing (steps = 300 criterion =
0.0010000000474974513) ...
minimize: using org.jmol.minimize.forcefield.ForceFieldUFF
17 atoms will be minimized.
minimize: creating bonds...
minimize: setting atom types...
minimize: getting angles...
30 angles
minimize: getting torsions...
36 torsions
Couldn't find file: UFF.txt
Exception null in getResource UFF.txt
could not setup force field UFF
This is my code:
function runMinim() { // called by a button in the page
jmolScript('set messageCallback "mCallB"')
jmolScriptWait('minimize')
}
var minimRunning = false
function mCallB(a,b,c) {
var aa = "" + a , bb = "" + b , cc = "" + c
var s = bb.indexOf("Step ")
if (s!=-1 && s<3)
{ minimRunning = true
}
if ( minimRunning )
{ if ( bb.indexOf("HAS CONVERGED")!=-1 )
{ molScript('set messageCallback none')
minimRunning = false
}
if ( bb.indexOf("Step " + JmolMinimSteps)!=-1 )
{ jmolScript('set messageCallback none')
minimRunning = false
}
}
}
Thanks
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