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FAIRmat-NFDI / nomad-polymerization-reactions / 19932291270 / 4
89%
main: 89%

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DEFAULT BRANCH: main
Ran 04 Dec 2025 02:25PM UTC
Files 7
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04 Dec 2025 02:23PM UTC coverage: 76.692% (-23.3%) from 100.0%
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Monomer as an entry schema (#85)

* Refactor monomer into an entry schema

* Add xtb features

* Remove unwanted param in entry point

* Rename coordinates to positions

* Section reference for monomers

* Reading from zip file

* Reoder

* Generate visualization todo

* `MonomerReference` section; remove data_file

* Remove parsing-related methods

* Specify monomer reference

* Ruff

* Fix pytest

* Update CI tests

* Move and rename

102 of 133 relevant lines covered (76.69%)

0.77 hits per line

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