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Allow use-defined precision in XYZWriter
#4771
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Hello there first time contributor! Welcome to the MDAnalysis community! We ask that all contributors abide by our Code of Conduct and that first time contributors introduce themselves on GitHub Discussions so we can get to know you. You can learn more about participating here. Please also add yourself to package/AUTHORS
as part of this PR.
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Following up from discord, could you please open up an issue to discuss what you are trying to achieve here please? The ASE import cannot happen unfortunately.
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Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## develop #4771 +/- ##
===========================================
+ Coverage 93.66% 93.72% +0.06%
===========================================
Files 177 189 +12
Lines 21726 23141 +1415
Branches 3052 3139 +87
===========================================
+ Hits 20349 21689 +1340
- Misses 930 1004 +74
- Partials 447 448 +1 ☔ View full report in Codecov by Sentry. 🚨 Try these New Features:
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@ChiahsinChu thank you for your contribution. Could you please open an issue that requests the feature that this PR is adding, namely "setting output precision for XYZ Writer"? Before commenting on the implementation in a PR we first need to decide if the requested feature should be added. In the issue provide support in favor of this feature, e.g., documentation for feature specification, description of need etc. Thank you! |
I am asking for an issue because the issue #4772 that you linked does not seem to have anything to do with the content of this PR. Having separate issues for separate features is a good thing! |
XYZWriter
XYZWriter
@ChiahsinChu do you want to re-open this PR? |
Changes made in this Pull Request:
precision
forXYZWriter
PR Checklist
Developers certificate of origin
📚 Documentation preview 📚: https://mdanalysis--4771.org.readthedocs.build/en/4771/