Initial implementation of fill_sphere packing function #460
Conversation
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Yikes, travis didn't want to build those tests at all. Let's see if a restart magically fixes everything... |
Note that there is no `mb.Sphere` class like `mb.Box`, so a `_validate_sphere` function is not so sensible.
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In what I believe to be a spooky coincidence to #469, these tests fail on Python 2.7 with a Otherwise this is good to me. Somebody else want to take a look? @justinGilmer? |
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I think this was in a pretty good spot last time. I think the next step is merging in the latest changes and see if all the tests pass. Might be a few conflicts to resolve and we need to change these new functions to make sure we are closing flies properly. #471 showcases how those changes were made. I can help with that if needed! I wont be able to take a swing at it today, but I can work on this tomorrow. |
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Is there anything really missing now from this feature @mattwthompson @ftiet ? |
Codecov Report
@@ Coverage Diff @@
## master #460 +/- ##
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+ Coverage 89.79% 89.81% +0.01%
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Files 44 44
Lines 3225 3298 +73
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+ Hits 2896 2962 +66
- Misses 329 336 +7
Continue to review full report at Codecov.
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I consider this good to go (if the mac builds ever get rolling ...) |
* Initial implementation of fill_sphere packing function * Do some sanity checks on `sphere` argument Note that there is no `mb.Sphere` class like `mb.Box`, so a `_validate_sphere` function is not so sensible. * Add test to ensure all particles are in the sphere * Small formatting changes * Merge changes from #471 * Allow for sphere arguments to be tuples * Switch from PDB to XYZ files #422 * Test for some bad arguments * Test for some more bad args for coverage
Passes all unit tests