aiidalab / aiidalab-widgets-base

Reusable widgets for AiiDAlab applications
MIT License
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New Feature : Editor Adding tags to structure #475

Closed AndresOrtegaGuerrero closed 1 year ago

AndresOrtegaGuerrero commented 1 year ago

This PR implements a new Editor AddingTagsEditor

The idea behind the editor is to enable the user to set different kinds of atoms in a structure The widget uses the ase.Atoms tags.

The editor allows defining more kinds in a structure for example, a structure can have Fe, O, and Fe1 (selected atoms)

This editor (or the idea behind it) is to enable the user to define new kinds, these new kinds can later be set to a specific magnetization for new kinds in the StructureData (For example in the AiiDAlab QE app).

codecov[bot] commented 1 year ago

Codecov Report

Patch coverage: 19.64% and project coverage change: -0.90 :warning:

Comparison is base (616ef86) 79.32% compared to head (f5599ab) 78.42%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #475 +/- ## ========================================== - Coverage 79.32% 78.42% -0.90% ========================================== Files 27 27 Lines 3685 3740 +55 ========================================== + Hits 2923 2933 +10 - Misses 762 807 +45 ``` | Flag | Coverage Δ | | |---|---|---| | python-3.10 | `78.42% <19.64%> (-0.90%)` | :arrow_down: | | python-3.8 | `78.45% <19.64%> (-0.91%)` | :arrow_down: | | python-3.9 | `78.45% <19.64%> (-0.91%)` | :arrow_down: | 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=aiidalab#carryforward-flags-in-the-pull-request-comment) to find out more. | [Impacted Files](https://codecov.io/gh/aiidalab/aiidalab-widgets-base/pull/475?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiidalab) | Coverage Δ | | |---|---|---| | [aiidalab\_widgets\_base/\_\_init\_\_.py](https://codecov.io/gh/aiidalab/aiidalab-widgets-base/pull/475?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiidalab#diff-YWlpZGFsYWJfd2lkZ2V0c19iYXNlL19faW5pdF9fLnB5) | `100.00% <ø> (ø)` | | | [aiidalab\_widgets\_base/structures.py](https://codecov.io/gh/aiidalab/aiidalab-widgets-base/pull/475?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiidalab#diff-YWlpZGFsYWJfd2lkZ2V0c19iYXNlL3N0cnVjdHVyZXMucHk=) | `70.75% <19.64%> (-4.37%)` | :arrow_down: | Help us with your feedback. Take ten seconds to tell us [how you rate us](https://about.codecov.io/nps?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiidalab). Have a feature suggestion? [Share it here.](https://app.codecov.io/gh/feedback/?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiidalab)

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AndresOrtegaGuerrero commented 1 year ago

This editor might be relevant in QeApp