9808225792
80%

Ran 05 Jul 2024 12:24PM UTC

Jobs 5

Files 15

Run time 1min

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Committed 05 Jul 2024 12:22PM UTC coverage: 96.517%. Remained the same

Build # 9808225792

Build Type

push

github

Committed by

web-flow

Commit Message

Bugfix: Nomad parsing, atom_types mapping on chemical_formula and use of chemical_symbols (#362)

* Add entrypoint for nomad parser

* Fix dev_tools imports

* Copy parser and schema from nomad

* Fixes bug of incorrect assumption that atom_types can always be interpreted into a chemical_formula, fixes bug how ase chemical_symbols was used

* Typo

* src/pynxtools/nomad/parser.py

* Added missing import

* Raises in question replaced  with logger

* Removed nomad_plugin entry in pyproject.toml

* Minor array indexing

* Minor

---------

Co-authored-by: domna <florian.dobener@physik.hu-berlin.de>
Co-authored-by: mkuehbach <markus.kuehbach@hu-berlin.de>
Co-authored-by: mkuehbach <markus.kuehbach@physik.hu-berlin.de>

Run Details

665 of 689 relevant lines covered (96.52%)

4.72 hits per line

Jobs

ID	Job ID	Ran	Coverage
1	9808225792.1	05 Jul 2024 12:24PM UTC	86.65	GitHub Action Run
2	9808225792.2	05 Jul 2024 12:26PM UTC	96.23	GitHub Action Run
3	9808225792.3	05 Jul 2024 12:26PM UTC	96.23	GitHub Action Run
4	9808225792.4	05 Jul 2024 12:26PM UTC	96.23	GitHub Action Run
5	9808225792.5	05 Jul 2024 12:35PM UTC	96.23	GitHub Action Run

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