fix typing, fix 2D plotting issues #896
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IAlibay
commented
Jul 21, 2024
| text=f"{i}", | ||
| xy=(i + 0.5, 1), | ||
| xytext=(i + 0.5, num_states + 0.5), | ||
| xycoords='data', |
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Adding the defaults is a bit much, but thought I might as well be explicit... thoughts?
IAlibay
commented
Jul 21, 2024
| @@ -278,15 +294,15 @@ def plot_2D_rmsd(data: list[list[float]], | |||
| fig, axes = plt.subplots(nrows, 4) | |||
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| for i, (arr, ax) in enumerate( | |||
| zip(twod_rmsd_arrs, chain.from_iterable(axes))): | |||
| zip(twod_rmsd_arrs, axes.flatten())): # type: ignore | |||
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for some reason the return type for axes can be Axes | ndarray, but in our use case we always have ndarray (because we set ncols to 4).
mikemhenry
approved these changes
Jul 21, 2024
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #896 +/- ##
==========================================
- Coverage 93.98% 92.36% -1.62%
==========================================
Files 134 134
Lines 9790 9800 +10
==========================================
- Hits 9201 9052 -149
- Misses 589 748 +159
Flags with carried forward coverage won't be shown. Click here to find out more. ☔ View full report in Codecov by Sentry. |
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The plots aren't great, but at least they work now: 9 states: 4 states: |
mikemhenry
requested changes
Jul 23, 2024
hannahbaumann
approved these changes
Jul 23, 2024
|
Thanks both! @mikemhenry changelog entry is done. |
mikemhenry
approved these changes
Jul 23, 2024
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openfe.analysis.plotting.plot_2D_rmsddoes not work for fewer than 5 states #895TODO:
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