logsdail / carmm

Scripts for creation, manipulation and analysis of geometric and electronic structure of molecular models
GNU General Public License v3.0
5 stars 17 forks source link

plot_profiles #135

Closed ikowalec closed 9 months ago

codecov[bot] commented 9 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Comparison is base (e73143c) 86.04% compared to head (3624961) 86.27%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #135 +/- ## ========================================== + Coverage 86.04% 86.27% +0.22% ========================================== Files 69 70 +1 Lines 2709 2754 +45 ========================================== + Hits 2331 2376 +45 Misses 378 378 ``` | [Flag](https://app.codecov.io/gh/logsdail/carmm/pull/135/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Andrew+Logsdail) | Coverage Δ | | |---|---|---| | [unittests](https://app.codecov.io/gh/logsdail/carmm/pull/135/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Andrew+Logsdail) | `86.27% <100.00%> (+0.22%)` | :arrow_up: | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Andrew+Logsdail#carryforward-flags-in-the-pull-request-comment) to find out more.

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OscarvanVuren commented 9 months ago

All looks relatively self-explanatory to me. Perhaps some functionality testing by users with use cases (i.e. not me) will reveal direction for further development in future? Otherwise this looks good to merge.

logsdail commented 9 months ago

Nice merge - quite a few hardcoded variables, so I’d flag as a todo that these need reviewing/softening, as well as documenting (as you’ve noted).

Happy to see the plot is returned also, rather than shown. Means output is flexible for further refinement