kmdalton commented 3 years ago

This PR will add two new methods to rs.utils, ev2angstroms and angstroms2ev.

codecov-io commented 3 years ago

Codecov Report

Merging #58 (9a96de8) into main (358d229) will decrease coverage by 0.06%. The diff coverage is 83.33%.

@@            Coverage Diff             @@
##             main      #58      +/-   ##
==========================================
- Coverage   98.78%   98.72%   -0.07%     
==========================================
  Files          36       37       +1     
  Lines        1482     1488       +6     
==========================================
+ Hits         1464     1469       +5     
- Misses         18       19       +1

Flag	Coverage Δ
unittests	`98.72% <83.33%> (-0.07%)`	:arrow_down:

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Impacted Files	Coverage Δ
reciprocalspaceship/utils/units.py	`80.00% <80.00%> (ø)`
reciprocalspaceship/utils/__init__.py	`100.00% <100.00%> (ø)`

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wojdyr commented 3 years ago

in gemmi the same is done by multiplying/dividing by gemmi.hc. Checking the exact value of the constant, it's the same up to 9th significant digit: 12398.41984332 12398.41973862 which I suppose is perfectly fine. I calculated the constant with Linux program units:

units -d15 'h * c / eV / angstrom'

rs-station / reciprocalspaceship

Adding methods for interconverting wavelength and energy #58

Codecov Report