Skip to content

Commit

Permalink
Fix unit test for FCC model to match corrected math.
Browse files Browse the repository at this point in the history
Values given by Jonathan Gaudet. Note that more robuts testing would be useful and should be added in the future.
  • Loading branch information
butlerpd committed Jul 15, 2024
1 parent a25b3ca commit a09344e
Showing 1 changed file with 3 additions and 2 deletions.
5 changes: 3 additions & 2 deletions sasmodels/models/fcc_paracrystal.py
Original file line number Diff line number Diff line change
Expand Up @@ -213,9 +213,10 @@ def random():
#
# October 26, 2022, PDB fixed unit tests to conform to new maths
# TODO: fix the 2d tests
q = 4.*pi/220.
# Test position of first Bragg Peak at q = 2.0 * pi * np.sqrt(3) / (np.sqrt(2) * 220)
q=0.035
tests = [
[{}, [0.001, q, 0.25], [1.9839734995338474, 0.3352457353010224, 0.005804136688760973]],
[{}, [0.01, q, 0.25], [0.0213498915484313, 69.03586722100925, 0.005713137547083953]],
#[{}, (-0.047, -0.007), 238.103096286],
#[{}, (0.053, 0.063), 0.863609587796],
]

0 comments on commit a09344e

Please sign in to comment.