Patrick Avery

Update the Open Babel API in Avogadro

2

Several changes have been made to the Open Babel API which results in errors in the Avogadro compilation with an updated Open Babel. This fixes our API issues.

CMake without OpenSSL support issue downloading yaehmop?

1

This is not necessarily an issue that needs to be resolved, but I thought it would be good to bring it to everyone's attention. On some packaged versions of cmake...

There appears to be an issue with imported crystals. If you go to File -> Import -> Crystal, and you import one like diamond, then any crystal operation on it...

Plugin Destructors Never Get Called?

1

Hi all, I've been running some tests, and it seems to me that the plugin destructors do not actually get called. I tested it out by trying to print a...

These are some updates to compile against ParaView master as of today (07/09/2021). We won't merge this until we bump our ParaView version.

Currently, if you have one volume module that is using RGBA component mapping, and you create another volume module, you'll get error messages like this: ``` ( 29.443s) [paraview ]vtkGPUVolumeRayCastMapp:443...

Allow non-active scalars to be modified in python operators

6

This primarily adds a new function, `dataset.set_scalars()`, which allows the user to modify non-active scalars in the python operators. Additionally, the user can add new scalars with `dataset.set_scalars()`. If there...

If you have a data source with dark and white data, and you run an operator on it in the internal pipeline, the dark/white data are lost in the process,...

Show Dark/White Data doesn't work for large files

1

For larger files (> 5 GB in my testing, but maybe even less than that), the dark and white data appear as blank images. However, it does look like they...

Our extended EMD format currently supports multiple scalars, which is very nice. But it does not support saving bright and dark data. This might be useful to have. We should...