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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