Add bounds to sample_candidates in Constraints classes. #1315
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chrisjonesBSU wants to merge 6 commits into
Open
Add bounds to sample_candidates in Constraints classes. #1315chrisjonesBSU wants to merge 6 commits into
sample_candidates in Constraints classes. #1315chrisjonesBSU wants to merge 6 commits into
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…e file to match class names
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Codecov Report❌ Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## develop #1315 +/- ##
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Coverage 78.85% 78.85%
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Files 59 59
Lines 6284 6286 +2
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+ Hits 4955 4957 +2
Misses 1329 1329 ☔ View full report in Codecov by Harness. 🚀 New features to boost your workflow:
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…ld into volume-sample-regions
Contributor
Author
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Leaving this open for now as the region_minx and region_maxs behavior wasn't added in #1314 but we can do that in a separate PR, or merge it here. |
Contributor
Author
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I'm going to work on adding this in a separate PR rather than resolving the conflicts. |
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PR Summary:
This adds bounds parameters to volume constraints sample_candidates method. This lets you choose random starting points within a certain region, which adds more flexibility for different initialization.
This also changes
volume.pytoconstraints.pyto be more consistent, and it moves the file from mbuild/utils to pathPR Checklist
…e file to match class names