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ghutchis / avogadro

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.
http://avogadro.cc/
GNU General Public License v2.0
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Vibration numbers in vibration table #1031

Closed ghutchis closed 8 years ago

ghutchis commented 9 years ago

In v1.0.x versions, the vibrations table showed the vibration number, but this was disabled in versions 1.1.x. This can be useful if we want to find a specific vibration number, so I would like to ask if this feature could be restored. Otherwise, I would thank if someone can tell me if how to do the trick (I guess somewhere in vibrationwidget.ui, but I am not a c++ programmer).

Thank you

Reported by: *anonymous

ghutchis commented 9 years ago

To add row numbers, you should edit:

libavogadro/src/extensions/spectra/vibrationwidget.ui

Changing the attribute:

 </attribute>
 <attribute name="verticalHeaderVisible">
  <bool>false</bool>
 </attribute>

From false to true.

Note that the original row_number<->frequency mapping is kept when filtering but when sorting.

Original comment by: *anonymous