added force_loop (+propagation of write parameters)

teamtomo / starfile

STAR file I/O in Python

https://teamtomo.org/starfile/

BSD 3-Clause "New" or "Revised" License

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added force_loop (+propagation of write parameters) #24

Closed robertbuecker closed 3 years ago

robertbuecker commented 3 years ago

The main change is a force_loop option, which enforces writing even single-line data frames as a loop. This helps a lot with hybrid Relion/cryoSPARC workflows, as cryoSPARC does not cope with the normal (non-loop) structures, which requires annoying and error-prone editing.

Also, I added propagation of the na_rep and sep parameters in the write() function - I guess that was a bug?

alisterburt commented 3 years ago

Hey @robertbuecker - changes look good, thanks for the PR! Will push a 0.4.8 release to PyPI now for you

robertbuecker commented 3 years ago

wow, that was quick :-). Thanks for the prompt reaction and great package @alisterburt

alisterburt commented 3 years ago

caught me at a good time :) glad it's useful!

alisterburt commented 3 years ago

https://github.com/alisterburt/starfile/actions/runs/1320531095

should be on PyPI imminently