fix: corrected mu vs muD usage, remove packing fraction option #198
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yucongalicechen
commented
Jul 8, 2025
| "Specify the chemical formula, incident x-ray energy (in keV), " | ||
| "and packing fraction (0 to 1), " + theoretical_mud_hmsg_suffix | ||
| "sample mass density (in g/cm^3), " | ||
| "and capillary diameter (in mm) " |
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Adding capillary diameter as a requirement
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## main #198 +/- ##
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Coverage 99.31% 99.31%
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yucongalicechen
commented
Jul 8, 2025
| args.theoretical_from_density | ||
| def _set_theoretical_mud(args): | ||
| """Theoretical estimation of muD from sample composition, energy, sample | ||
| mass density, and capillary diameter.""" |
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Remove packing fraction as an option, add capillary diameter
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please see my comment in #187. I am honestly a bit confused as it has been some time since we worked on this and there were many many different options. It might be helpful to have a quick meeting, and in preperation for that meeting try and plot out some kind of block-diagram that shows the different flows of what people know, how they will interact with the program, and what functions get run in each case. |
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closes #188, closes #187
Docs update for this PR is tracked through docs: update documentation to reflect changes in the CLI structure and mud computation #192.
Here's a screenshot of the GUI:
From the screenshot here I think I like keeping all chemical info in one argument instead of separating it like
-s NaCl -e 10 -d 1.5 -c 1.0for composition, energy, density, and diameter. I can separate arguments for "getmud" subcommand though, if this is easier for CLI users. Thoughts?@sbillinge ready for review.