Author Topic: Export to xyz remembers columns not in this session/state preventing new export  (Read 853 times)

andershaf

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I have previously visualized a simulation with a per atom quantity ocupancy which I had in xyz-files that I imported into Ovito (this was column 5). Sometimes I exported a subset of the full state using the File->Export File functionality. I here exported also the occupancy values.

Two weeks later, I open up another simulation (LAMMPS binary format) which uses more columns (occupancy not being one of them) than the one I mentioned above. This was not the same Ovito session, so this is not a state of the running process. I now wanted to export this to XYZ:

with only the first 4 columns selected (note that no columns are named occupancy here). When I click OK, I get the following message
The set of output data columns is invalid (column 5). The property 'occupancy' does not exist.


So the existence of the column called occupancy as column 5 still exists even when this file doesn't have it. If you need more, I can see if I can create steps reproducing the issue from scratch.

What solves the issue is to check the column 5 in this simulation in the export window and then uncheck it.
« Last Edit: March 11, 2017, 01:09:51 AM by andershaf »

Alexander Stukowski

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Thanks for the helpful bug report.

I can confirm that there was an issue. It will be gone in the next program release, a fix has been implemented in the source code:

https://gitlab.com/stuko/ovito/commit/9bcef255508acb69e73d807821d954476e3fc178