Frameiteratorall not handled

[Erikna00]

Hi ProLIF and thansk for the package.

I´m using you code for MDanalysis and noticed that prolif.Fingerprint.run has a annoying deficency for my case.
It can either handle a protoreader or a Frameiteratorsliced, however in my code (and i can imagine most others) it is desirable when writing boilerplate surrounding ProLIF to slice like:

u.trajectory[start_frame:end_frame:stride]

To be able to handle partial trajectory analysis. However, if this results in a slice containing the whole trajectory MDAnalysis returns a Frameiteratorall which breaks your code. Would it be possible for you to add handling also of this class of a MDAnalysis iterator?

Thanks again, Erikna

  File "/home/erikna/miniforge3/envs/whatcat/lib/python3.12/site-packages/prolif/fingerprint.py", line 509, in _run_parallel
    frames = range(traj.start, traj.stop, traj.step)
                   ^^^^^^^^^^
AttributeError: 'FrameIteratorAll' object has no attribute 'start'

[cbouy]

Hi,

This is fixed in the source repository but hasn't been released yet, you can install prolif from the source repo with

pip install git+https://github.com/chemosim-lab/ProLIF.git

I'm going to try and put out a release at some point this month so that everyone can benefit from this.

Hope this helps,
Cédric