nomad-coe / nomad-simulations / 16807269869

82%

Build Type

push

github

Committed by web-flow

Commit Message

H5md refactor (#196)

* add velocities and particle_state labels

* working h5md basic system

* added some ModelSystem functions for molecules

* add some system types

* fixed tests

* cleaned comments

* returned current docstrings that diverged somehow

* ruff

* refined is_molecule, updated tests

* remove duplicate is_molecule

* fix editing mistakes

* switched to get_symbols() but left the old function commented for now

* re-uncomment get_chemical_symbols() for now

Run Details

56 of 73 new or added lines in 2 files covered. (76.71%)

6 existing lines in 1 file now uncovered.

2026 of 2907 relevant lines covered (69.69%)

0.7 hits per line