Build OPTIMADE fields according to supplied fields#189
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CasperWA wants to merge 3 commits intoaiidateam:developfrom
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Build OPTIMADE fields according to supplied fields#189CasperWA wants to merge 3 commits intoaiidateam:developfrom
CasperWA wants to merge 3 commits intoaiidateam:developfrom
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Since the command will _always_ recalculate fields if already present, this is more appropriate.
New `--minimized-fields` option for `aiida-optimade init`. This will try to avoid calculating big-valued OPTIONAL fields. To ensure this, all translator field methods have gotten a new property `store` on whether the calculated field should be stored in the `optimade` extra or not. This is to be able to calculate some fields that depend on others (like `structure_features`), but still _only_ saving the value of `structure_features` and not the others. Specifically for `structure_features` a post-treatment is needed to ensure the correct features are set/unset.
Build attributes only with supplied "desired" fields. This ensures the `-m/--minimized-fields` option for `aiida-optimade init` works as intended.
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Codecov Report
@@ Coverage Diff @@
## develop #189 +/- ##
===========================================
+ Coverage 90.51% 90.61% +0.10%
===========================================
Files 30 30
Lines 1223 1268 +45
===========================================
+ Hits 1107 1149 +42
- Misses 116 119 +3
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Closes #188
The
build_attributesmapper function now builds only the "desired" attributes, ensuring a new-m/--minimized-fieldsoption foraiida-optimade initwill work.The new option builds OPTIMADE fields for all but
cartesian_site_positions,species_at_sitesandnsites.