Issue 1080 #1088
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Issue 1080 #1088
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Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #1088 +/- ##
==========================================
- Coverage 90.64% 90.64% -0.01%
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Files 61 61
Lines 6231 6240 +9
==========================================
+ Hits 5648 5656 +8
- Misses 583 584 +1 ☔ View full report in Codecov by Sentry. |
CalCraven
approved these changes
Feb 6, 2023
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This PR pretty much looks good, thanks for the contribution @RainierBarrett @chrisjonesBSU.
| ) | ||
| for bound in bounds: | ||
| if not isinstance(bound, (Box, list)): | ||
| raise ValueError( |
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A unit test that this error is called would be great in test_packing.py. Same for the error on line 368.
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Second this.
An example of how to invoke an error for testing with pytest:
def test_n_bonds_particle(self):
comp = mb.Compound(name="A", pos=[0, 0, 0])
with pytest.raises(MBuildError):
comp.n_bonds
* [pre-commit.ci] pre-commit autoupdate updates: - [github.com/psf/black: 22.12.0 → 23.1.0](psf/black@22.12.0...23.1.0) * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
* Produce n=2 when ports are not capped * Add option to not scale charges in lj units, and update docs for consistency * Update mbuild/formats/lammpsdata.py Co-authored-by: Co Quach <[email protected]> --------- Co-authored-by: Co Quach <[email protected]>
for more information, see https://pre-commit.ci
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PR Summary:
Addresses #1080. Added some more aggressive input checks around the
boundsarg forfill_region. Not sure if new unit tests are warranted but happy to add if so.PR Checklist