nah. It's fixed.
On Thu, Aug 28, 2008 at 3:36 PM, Dean Johnston <[EMAIL PROTECTED]>wrote:
> Bob,
>
> Jmol still seems to crash with write pointgroup draw on these three
> examples (11.6.12_dev application): twistane, N2O4 and p-dibromobenzene.
> Other examples of D2h symmetry also give the same problem.
>
> Dean
>
>
> On Wed, Aug 27, 2008 at 10:41 AM, Robert Hanson <[EMAIL PROTECTED]>wrote:
>
>> Dean, that fix is checked in -- problem for any case where there is no
>> principal axis.
>>
>>
>>
>> On Fri, Aug 22, 2008 at 9:52 PM, Dean Johnston <[EMAIL PROTECTED]>wrote:
>>
>>> OK, it's working much better, but a few obscure errors with my test set
>>> (this is with both 11.6.RC10-applet, and 11.6.RC11_dev-application).
>>>
>>> *D2* (twistane): correctly identifies point group, but crashes on write
>>> pointgroup draw
>>> *D2h* (N2O4): correctly identifies point group, but crashes on write
>>> pointgroup draw
>>> *D2h* (p-dibromobenzene): correctly identifies point group, but crashes
>>> on write pointgroup draw
>>>
>>> It must be a point group specific thing, because a lower symmetry (C2)
>>> version of my twistane structure works just fine.
>>>
>>> BTW, I love the getProperty pointGroupInfo. Thanks Bob!
>>>
>>> Dean
>>>
>>>
>>>
>>> On Fri, Aug 22, 2008 at 10:01 AM, Robert Hanson <[EMAIL PROTECTED]>wrote:
>>>
>>>> found it -- Nico, let's get RC10 out so Dean can test it.
>>>>
>>>> Bob
>>>>
>>>>
>>>>
>>>> On Thu, Aug 21, 2008 at 11:21 PM, Dean Johnston <[EMAIL PROTECTED]>wrote:
>>>>
>>>>> This (the write pointgroup draw command) still isn't working for me
>>>>> (RC9 and RC10). Not sure what is going on.
>>>>>
>>>>> Dean
>>>>>
>>>>>
>>>>> On Wed, Aug 20, 2008 at 2:18 AM, Robert Hanson <[EMAIL PROTECTED]>wrote:
>>>>>
>>>>>> fixed and, sure, why not...
>>>>>>
>>>>>> getProperty pointGroupInfo
>>>>>>
>>>>>> print getProperty("pointgroupInfo.principalAxis")
>>>>>>
>>>>>> etc.
>>>>>>
>>>>>>
>>>>>> On Tue, Aug 19, 2008 at 11:17 PM, Dean Johnston <
>>>>>> [EMAIL PROTECTED]> wrote:
>>>>>>
>>>>>>> Bob,
>>>>>>>
>>>>>>> "write pointgroup draw" gives the following error (for 11.6.RC8):
>>>>>>>
>>>>>>> Exception in thread "QueueThread0" java.lang.NullPointerException
>>>>>>> at org.jmol.symmetry.PointGroup.getInfo(Unknown Source)
>>>>>>> at org.jmol.symmetry.Symmetry.getPointGroupInfo(Unknown Source)
>>>>>>> at
>>>>>>> org.jmol.modelset.ModelSet.calculatePointGroupForFirstModel(Unknown
>>>>>>> Source)
>>>>>>> at org.jmol.modelset.ModelSet.getPointGroupAsString(Unknown
>>>>>>> Source)
>>>>>>> at org.jmol.viewer.Viewer.getPointGroupAsString(Unknown Source)
>>>>>>> at org.jmol.viewer.Eval.write(Unknown Source)
>>>>>>> at org.jmol.viewer.Eval.instructionDispatchLoop(Unknown
>>>>>>> Source)...
>>>>>>>
>>>>>>> Unrelated question: is there (or will there be) a getPropertycommand
>>>>>>> to retrieve information about symmetry elements? (I can grab them
>>>>>>> using show pointgroup, but getProperty would be nice).
>>>>>>>
>>>>>>> Dean
>>>>>>>
>>>>>>>
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>>>>>>
>>>>
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>>
>>
>> --
>> Robert M. Hanson
>> 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
>>
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>> Build the coolest Linux based applications with Moblin SDK & win great
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>> Grand prize is a trip for two to an Open Source event anywhere in the
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>>
>
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--
Robert M. Hanson
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
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