Re: [J-ice-users] FW: [Jmol-developers] very weird phenomenon CRYSTAL reader

[pieremanuele c. <pc...@ke...>]

I tried to get auxiliaryInfo.models[i].name with a banal  loop cycle.
I saw that it works fine for small molecule bu it doesn't work well with
most of the output you can find in the repository.

these are the function I use in cascade

function extractInfoJmol(whatToExtract){
    var data = jmolGetPropertyAsArray(whatToExtract);
    return data;
}

var Info = new Array();
function extractAuxiliaryJmol(){
    Info = [];
    Info = extractInfoJmol("auxiliaryInfo.models");
    return Info;
}

function loadCryModels() {
extractAuxiliaryJmol();

for (i = 0; i < Info.length; i++) {
    if (Info[i].name != null) {
        var line = Info[i].name;
        // alert(line)

        if (line.search(/Energy/i) != -1) { // Energy
            if (i > 0 && i < Info.length)
                var previous = substringEnergyToFloat(Info[i - 1].name);
            if (Info[i].name != null) {
                addOption(getbyID("geom"), i + " " + Info[i].name, i + 1);
                geomData[i] = Info[i].name;
                counterFreq ++;
            }
        } else if (line.search(/cm/i) != -1) {
            // onLoadparam();
            addOption(getbyID("vib"), (i + counterFreq) + " " +
Info[i].name,
                    i + 1);
            freqData[i + counterFreq] = Info[i].name;
        }

    }
}

On Sun, Feb 6, 2011 at 2:07 AM, P.Canepa <pc...@ke...> wrote:

>
> -------------------------------------------
> From: Robert Hanson[SMTP:HA...@ST...]
> Sent: Sunday, February 06, 2011 2:06:48 AM
> To: jmo...@li...
> Subject: Re: [Jmol-developers] very weird phenomenon CRYSTAL reader
> Auto forwarded by a Rule What property are you getting?
>
> On Sat, Feb 5, 2011 at 1:41 PM, pieremanuele canepa <pc...@ke...>wrote:
>
>> Dear Bob,
>>
>> I am experiencing a weird phenomenon with Jmol.  When I import normal
>> CRYSTAL jobs Jmol takes relly long time to poppulate a javascript array with
>> the function jmolGetPropertyAsArray. This thing doesn't happen for other
>> reader like VASP etc... I tried with an old Jmol release and it works just
>> fine.
>> How come?
>>
>> Thanks, Bob.
>>
>>
>> --
>> *Please consider the environment before printing this e-mail.*
>> **
>> Pieremanuele Canepa
>> Room 104
>> Functional Material Group
>> School of Physical Sciences, Ingram Building,
>> University of Kent, Canterbury, Kent,
>> CT2 7NH
>> United Kingdom
>>
>> e-mail: pc...@ke...
>> mobile: +44 (0) 7772-9756456
>> -----------------------------------------------------------
>>
>>
>>
>> ------------------------------------------------------------------------------
>> The modern datacenter depends on network connectivity to access resources
>> and provide services. The best practices for maximizing a physical
>> server's
>> connectivity to a physical network are well understood - see how these
>> rules translate into the virtual world?
>> http://p.sf.net/sfu/oracle-sfdevnlfb
>> _______________________________________________
>> Jmol-developers mailing list
>> Jmo...@li...
>> https://lists.sourceforge.net/lists/listinfo/jmol-developers
>>
>>
>
>
> --
> 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
>



-- 
*Please consider the environment before printing this e-mail.*
**
Pieremanuele Canepa
Room 104
Functional Material Group
School of Physical Sciences, Ingram Building,
University of Kent, Canterbury, Kent,
CT2 7NH
United Kingdom

e-mail: pc...@ke...
mobile: +44 (0) 7772-9756456
-----------------------------------------------------------