Re: [Paraview] display bonds between atoms using paraview

2013-10-04 Thread David Lonie
On Thu, Oct 3, 2013 at 5:10 PM, Jian Luo laurenjaso...@gmail.com wrote:

 Hi everyone,

 I am in the field of atomic simulation.
 Paraview can display atoms beautifully, but I currently cannot find a way
 to draw bonds between atoms within certain distance.
 Can anyone help me with this? Thanks very much.


As far as I know, ParaView is only able to visualize molecular data, and
does not include such editing capabilities. I'd recommend using software
like Avogadro[1] to modify the molecule, which can then be saved as .cml
and displayed in ParaView if desired.

Hope this helps,
Dave

[1] http://avogadro.openmolecules.net
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[Paraview] display bonds between atoms using paraview

2013-10-03 Thread Jian Luo
Hi everyone,

I am in the field of atomic simulation.
Paraview can display atoms beautifully, but I currently cannot find a way
to draw bonds between atoms within certain distance.
Can anyone help me with this? Thanks very much.

Best Regards,
LJ


On Thu, Oct 3, 2013 at 11:09 AM, paraview-requ...@paraview.org wrote:

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 Today's Topics:

1. Re: My own filter as part of pipeline for coprocessing raises
   name not defined error (Andy Bauer)


 --

 Message: 1
 Date: Thu, 3 Oct 2013 11:09:15 -0400
 From: Andy Bauer andy.ba...@kitware.com
 Subject: Re: [Paraview] My own filter as part of pipeline for
 coprocessing raises name not defined error
 To: Hong Yi hon...@renci.org
 Cc: paraview@paraview.org paraview@paraview.org
 Message-ID:
 
 camaop+f1nzkjfhzz9fvnojmsiofbqcsitcqqxbc7ygm8szk...@mail.gmail.com
 Content-Type: text/plain; charset=windows-1252

 Hmm, I would check the link line for your adaptor and for creating the
 executable to see if the plugin library is included there. Something else
 you can try is explicitly create the plugin's filter in the adaptor code to
 make sure that it is linked in properly.

 Regards,
 Andy


 On Thu, Oct 3, 2013 at 10:41 AM, Hong Yi hon...@renci.org wrote:

   Hi Andy,
 
  ** **
 
  That is exactly what I did, and I also modified CMakeLists.txt to link
  ${PARAVIEW_PLUGINLIST}  to the target via target_link_libraries. However,
  the symbol ?pv_plugin_instance_SMVorticity? is undefined in the built
  target static library, while following the same process to build pvbatch
  and pvpython executable works, i.e., the same plugin symbol is defined in
  built pvpython executable. Since it is static linking, I know linking
 order
  matters, but have not got it to work by adjusting linking orders. Let me
  know if you have ideas on what I could try to figure out and resolve this
  issue.
 
  ** **
 
  Thanks,
 
  ** **
 
  Hong
 
  ** **
 
  ** **
 
  *From:* Andy Bauer [mailto:andy.ba...@kitware.com]
  *Sent:* Thursday, October 03, 2013 10:19 AM
 
  *To:* Hong Yi
  *Cc:* David E DeMarle; paraview@paraview.org
  *Subject:* Re: [Paraview] My own filter as part of pipeline for
  coprocessing raises name not defined error
 
  ** **
 
  Hi Hong,
 
  There won't be a separate library created for Python wrapping your plugin
  for doing ParaView. Did you add in the following to your adaptor:
 
  #ifndef BUILD_SHARED_LIBS
 
  #include pvStaticPluginsInit.h
 
  #endif
 
 
  And then in the adaptor initialization step you should have something in
  it like:
 
  #ifndef BUILD_SHARED_LIBS
 
  paraview_static_plugins_init();
 
  #endif
 
  If that doesn't work then it will probably take a bit of tinkering to
  figure out what's wrong.
 
  Regards,
  Andy
 
  ** **
 
  On Wed, Oct 2, 2013 at 12:28 PM, Hong Yi hon...@renci.org wrote:
 
  Thanks for the helpful info, Andy. I looked at the link and followed the
  code change Burlen posted to add the static linked plugin initialization
  into pvbatch and pvpython and that worked fine. Now pvbatch and pypthon
 all
  have my filter plugin statically loaded. I still got the ?name not
 defined?
  error when coprocessing parses the pipeline though. I believe the problem
  remains because there is still no python wrapped proxy to my filter since
  there is no change to lib\site-packages after I add the static linked
  plugin initialization into pybatch and pvpython. To make sure I am on the
  right track for my further investigation, I am hoping to get answers to a
  couple of my further questions below:
 
   
 
  1.   What is the right way to go to have the proxy to my filter
  Python wrapped? How can I verity I have the proxy to my filter Python
  wrapped? Is it true that the Python-wrapped proxy to my filter should
 show
  up in some python file in lib\site-packages if the filter is indeed
  python-wrapped?  
 
  2.   I made similar changes to CPythonAdaptorAPI.cxx and
  CMakeLists.txt as I did to pvpthon and pvbatch to load and init static
  plugin in function coprocessorinitializewithpython() hoping to have
 plugin
  loaded when doing coprocessing linked to simulation, however, I still
 have
  the symbol ?pv_plugin_instance_SMVorticity? undefined in built
  PythonCatalyst static lib while the plugin symbol is indeed defined in
  pvpython with the same code changes. Just to confirm, does the