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Fix CIF parser for awkward linebreaks #61

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merged 4 commits into from Jun 7, 2020
Merged

Fix CIF parser for awkward linebreaks #61

merged 4 commits into from Jun 7, 2020

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ml-evs
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@ml-evs ml-evs commented Jun 3, 2020 •
edited

Closes #57.

  • Handles linebreaks with a hacky, slow (but hopefully stable) char-by-char deque.
  • Additionally scrapes _space_group_symop_operation_xyz key as alias for normal sym op key.

@ml-evs ml-evs marked this pull request as ready for review June 7, 2020 18:30
@ml-evs ml-evs merged commit a284e04 into master Jun 7, 2020
@ml-evs ml-evs deleted the ml-evs/cif_parser_fixes branch June 7, 2020 18:47
@ml-evs ml-evs mentioned this pull request Jun 7, 2020
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ml-evs added a commit that referenced this pull request Jun 7, 2020
@ml-evs
v0.9.3 (#64)
530e8c9 
- Fixes for the CIF reader: now works with awkward linebreaks and alternative symmetry operation specifications (#61).
- Added several new flags to ``pxrd_calculator`` script (#60 and 61).
- Usability fixes for ``spectral_plotting`` in the case of projected dispersion curves (#59).
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CIF reader fails when loop_ data is split over multiple lines
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