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 getProperty command
>>>>> 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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