v3.3.2: fixing notebook filtering, parse_pose_star optics groups, .txt inputs for write_star
This patch release makes some improvements to tools used in writing and parsing .star files, as well as addressing a few bugs that have recently come to our attention:
- the filtering notebook
cryoDRGN_filtering
was very slow to run when applied to experiments using--ind
; we tracked this down to using an incorrect approach to loading the dataset (#374) - nicer FSC plots in
backproject_voxel
using code refactored to apply the methods used infsc
andplot_fsc
- fixing an issue when the total particle count was module one the batch size, causing dimensionality errors with the final singleton batch due to how some
torch
andnumpy
operations handle singleton dimensions (#351) - creating a stopgap for #346 while we figure out what upstream problems could be causing these issues with
analyze
- adding
linspace=True
to thenp.linspace
operation inpc_traversal
for completeness - properly supporting
.txt
files forwrite_star
, with the correct file names now being written to the output, as well as--ind
working correctly - adding support for RELION 3.1 input files with multiple optics groups in
parse_pose_star
We have also consolidated and improved upon several aspects of our continuous integration testing setup, including new tests covering the cases described above, refactoring the data fixtures used in existing tests, and testing across multiple torch
versions after finding issues specific to v1.8
in analyze_landscape_full
.