nomad-coe / atomistic-parsers / 34348006423
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LAST BUILD BRANCH: feat/parser-mapping-report
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coverage: 87.324%. Remained the same
34348006423

Pull #177

github

ndaelman-hu 
Add per-parser mapping reports in nomad-sim-parser format

Add a MAPPING_REPORT.md to each parser documenting, per declarative
file-parser class, which `Quantity` declarations reach the normalized
`runschema` / `simulationworkflowschema` (Mapped/Unmapped + target) with a
coverage %, mirroring the mapping report of the new-schema simulation parsers
(nomad-parser-plugins-simulation, `nomad-sim-parser mapping-report`) and the
electronic-parsers reports. This gives a concrete, source-traceable coverage
view of the classical force-field / MD parsers and exposes where extraction
lands only in code-specific `x_<code>_*` metainfo.

- Add `.github/copilot-instructions.md`: Markdown mapping-report format,
  generation recipe, grep-based self-check, dynamically-named quantities in
  scope, MD-workflow targets (MolecularDynamics, thermostat/barostat).
- Add per-parser `MAPPING_REPORT.md` for all 15 parsers.
- Add `docs/reference/parser_mapping_report.md`, the concatenation of the
  fragments (rebuilt by hand, no build tooling).

Parsers that read trajectories/objects via MDAnalysis/ASE/HDF5/BasicParser and
declare no `Quantity` list (amber, asap, ase, gromos, h5md, libatoms) are
marked "Coverage: Not available" rather than given a fabricated number.
Pull Request #177: Add per-parser mapping reports in nomad-sim-parser format

6269 of 7179 relevant lines covered (87.32%)

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ID Job ID Ran Files Coverage
1 34348006423.1 67
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Source Files on build 34348006423