New params support + fixes for the new EDA #171
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Remaining issue with unit conversion (deg -> us) Remaining Descriptor conversion
proper handling of error format in experiment cif
place modified setup for the cryspy job object
rozyczko
added
the
[scope] enhancement
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fix phase generation for cases when arguments don't contain atoms/cell adjusted fitting results
Updated dependency for easyScience
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Back to draft, pending EasyScience and EasyCrystallography releases |
This is a deceptively large PR, but the bulk of the changes consists of simple string replacements for the new parameter syntax.
raw_value->valueerror->varianceunits->unitThe changes related to EDA are mostly in terms of parsing the CIF and setting up the job (fixing a few bugs in the process).
Please pay attention to changes in
calculators/cryspy/parser.pysrc/easydiffraction/io/cif.pysrc/easydiffraction/io/cif_reader.pyand minor fixes in job.py and phase.py