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Refactor of PBC distance functions #386
Refactor of PBC distance functions #386
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…lc_distance_coords_pbc, even if given None
Linting results by Pylint:Your code has been rated at 8.72/10 (previous run: 8.72/10, +0.00) |
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## RC_v1.5.x #386 +/- ##
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+ Coverage 56.91% 57.21% +0.29%
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Files 20 20
Lines 3440 3459 +19
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+ Hits 1958 1979 +21
+ Misses 1482 1480 -2
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Thanks for doing this refactor, @w-k-jones. Looks good to me.
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This all looks good - thanks @w-k-jones! Should be ready to merge now
Following on from #384 , I've carried out a more substantial refactoring of the PBC distance calculation functions. This includes improved validation of PBC keyword parameters, and optimisation of the
calc_distance_coords_pbc
to reduce the amount of work performed each time it is called.build_distance_function
should now be the uniform way to create a PBC dist func across all routinesChange in performance of tracking with PBCs (for a 24x1200x3600 dataset):